diff --git a/.github/workflows/documentation.yml b/.github/workflows/documentation.yml deleted file mode 100644 index 660a37d7e..000000000 --- a/.github/workflows/documentation.yml +++ /dev/null @@ -1,55 +0,0 @@ -name: Deploy Documentation - -on: - workflow_dispatch: - -env: - CARGO_TERM_COLOR: always - -jobs: - build-documentation: - runs-on: ubuntu-latest - steps: - - uses: actions/checkout@v4 - - name: Setup python - uses: actions/setup-python@v5 - with: - python-version: 3.14 - - name: Install pandoc - run: sudo apt-get install -y pandoc - - name: Install python dependencies - run: | - pip install sphinx nbsphinx ipython pygments sphinx_inline_tabs sphinx_design sphinx_copybutton myst_parser furo si-units - - name: Build Wheels - uses: PyO3/maturin-action@v1 - with: - command: build - args: > - --manifest-path py-feos/Cargo.toml - --out dist - - name: Install module - run: | - pip install feos --no-index --find-links dist - - name: Build documentation - run: sphinx-build docs/ public/ -b html - - name: Upload artifacts - uses: actions/upload-artifact@v4 - with: - name: documentation - path: public - - release-documentation: - needs: [build-documentation] - runs-on: ubuntu-latest - steps: - - name: Download artifacts - uses: actions/download-artifact@v4 - with: - name: documentation - path: public - - name: Deploy documentation to gh-pages - uses: peaceiris/actions-gh-pages@v3 - with: - github_token: ${{ secrets.GITHUB_TOKEN }} - publish_dir: ./public - diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml deleted file mode 100644 index a24d9b096..000000000 --- a/.github/workflows/release.yml +++ /dev/null @@ -1,123 +0,0 @@ -name: Release - -on: - push: - tags: ["v*"] - -jobs: - linux: - runs-on: ubuntu-latest - steps: - - uses: actions/checkout@v4 - - uses: actions/setup-python@v5 - with: - python-version: 3.14 - - name: Build Wheels - uses: PyO3/maturin-action@v1 - with: - command: build - args: > - --profile release-lto - --manifest-path py-feos/Cargo.toml - --out dist - - name: Upload wheels - uses: actions/upload-artifact@v4 - with: - name: wheel-linux-x86_64 - path: dist - - macos-x86_64: - runs-on: macos-14 - steps: - - uses: actions/checkout@v4 - - uses: actions/setup-python@v5 - with: - python-version: 3.14 - architecture: x64 - - name: Build wheels - x86_64 - uses: PyO3/maturin-action@v1 - with: - target: x86_64 - args: > - --profile release-lto - --manifest-path py-feos/Cargo.toml - --out dist - - name: Upload wheels - uses: actions/upload-artifact@v4 - with: - name: wheel-macos-x86_64 - path: dist - macos-aarch64: - runs-on: macos-14 - steps: - - uses: actions/checkout@v4 - - uses: actions/setup-python@v5 - with: - python-version: 3.14 - architecture: arm64 - - name: Build wheels - aarch64 - uses: PyO3/maturin-action@v1 - with: - target: aarch64 - args: > - --profile release-lto-thin - --manifest-path py-feos/Cargo.toml - --out dist - - name: Upload wheels - uses: actions/upload-artifact@v4 - with: - name: wheel-aarch64-apple-darwin - path: dist - windows: - runs-on: windows-latest - strategy: - matrix: - target: [x64, x86] - steps: - - uses: actions/checkout@v4 - - uses: actions/setup-python@v5 - with: - python-version: 3.14 - architecture: ${{ matrix.target }} - - name: Build wheels - uses: PyO3/maturin-action@v1 - with: - target: ${{ matrix.target }} - args: > - --profile release-lto - --manifest-path py-feos/Cargo.toml - --out dist - - name: Upload wheels - uses: actions/upload-artifact@v4 - with: - name: wheel-${{ matrix.target }} - path: dist - - deploy-pypi: - name: Publish wheels to PyPI and TestPyPI - runs-on: ubuntu-latest - needs: [linux, windows, macos-x86_64, macos-aarch64] - steps: - - uses: actions/download-artifact@v4 - with: - pattern: wheel-* - path: wheels - merge-multiple: true - - uses: actions/setup-python@v5 - with: - python-version: 3.14 - - name: Publish to PyPi - env: - TWINE_USERNAME: __token__ - TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }} - run: | - pip install --upgrade twine - twine upload --skip-existing wheels/* - - release-crates-io: - name: Release crates.io - runs-on: ubuntu-latest - steps: - - uses: actions/checkout@v4 - - uses: dtolnay/rust-toolchain@stable - - run: cargo publish --workspace --exclude py_feos --token ${{ secrets.CRATES_IO_TOKEN }} diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml deleted file mode 100644 index 7c7b1ad4a..000000000 --- a/.github/workflows/test.yml +++ /dev/null @@ -1,64 +0,0 @@ -name: Test - -on: - push: - branches: [main] - pull_request: - branches: [main] - -env: - CARGO_TERM_COLOR: always - -jobs: - test_crates: - runs-on: ubuntu-latest - strategy: - fail-fast: false - matrix: - crate: [feos-core, feos-dft] - steps: - - uses: actions/checkout@v4 - - name: Build - run: cargo build --release -p ${{ matrix.crate }} - - name: Run tests - run: cargo test --release -p ${{ matrix.crate }} - - test_python_bindings: - runs-on: ubuntu-latest - steps: - - uses: actions/checkout@v4 - - uses: actions/setup-python@v5 - with: - python-version: 3.14 - - name: Build - run: cargo build --release --manifest-path py-feos/Cargo.toml - - name: Run tests - run: cargo test --release --manifest-path py-feos/Cargo.toml - - test_models: - runs-on: ubuntu-latest - strategy: - fail-fast: false - matrix: - model: [pcsaft, epcsaft, gc_pcsaft, pets, uvtheory, saftvrqmie, saftvrmie, multiparameter] - - steps: - - uses: actions/checkout@v4 - - name: Build - run: cargo build --release --features ${{ matrix.model }} - - name: Run tests - run: cargo test --release --features ${{ matrix.model }} - - test_models_dft: - runs-on: ubuntu-latest - strategy: - fail-fast: false - matrix: - model: [pcsaft, gc_pcsaft] - - steps: - - uses: actions/checkout@v4 - - name: Build - run: cargo build --release --features "${{ matrix.model }} dft" - - name: Run tests - run: cargo test --release --features "${{ matrix.model }} dft" diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml deleted file mode 100644 index c2fab4c05..000000000 --- a/.github/workflows/wheels.yml +++ /dev/null @@ -1,86 +0,0 @@ -name: Build Wheels -on: - push: - branches: [main] - pull_request: - branches: [main] -jobs: - linux: - runs-on: ubuntu-latest - steps: - - uses: actions/checkout@v4 - - uses: actions/setup-python@v5 - with: - python-version: 3.14 - - name: Build Wheels - uses: PyO3/maturin-action@v1 - with: - command: build - args: > - --manifest-path py-feos/Cargo.toml - --out dist - - name: Upload wheels - uses: actions/upload-artifact@v4 - with: - name: wheel-linux-x86_64 - path: dist - macos-x86_64: - runs-on: macos-14 - steps: - - uses: actions/checkout@v4 - - uses: actions/setup-python@v5 - with: - python-version: 3.14 - architecture: x64 - - name: Build wheels - x86_64 - uses: PyO3/maturin-action@v1 - with: - target: x86_64 - args: > - --manifest-path py-feos/Cargo.toml - --out dist - - name: Upload wheels - uses: actions/upload-artifact@v4 - with: - name: wheel-macos-x86_64 - path: dist - macos-aarch64: - runs-on: macos-14 - steps: - - uses: actions/checkout@v4 - - uses: actions/setup-python@v5 - with: - python-version: 3.14 - architecture: arm64 - - name: Build wheels - aarch64 - uses: PyO3/maturin-action@v1 - with: - target: aarch64 - args: > - --manifest-path py-feos/Cargo.toml - --out dist - - name: Upload wheels - uses: actions/upload-artifact@v4 - with: - name: wheel-aarch64-apple-darwin - path: dist - windows: - runs-on: windows-latest - steps: - - uses: actions/checkout@v4 - - uses: actions/setup-python@v5 - with: - python-version: 3.14 - architecture: x64 - - name: Build wheels - uses: PyO3/maturin-action@v1 - with: - target: x64 - args: > - --manifest-path py-feos/Cargo.toml - --out dist - - name: Upload wheels - uses: actions/upload-artifact@v4 - with: - name: wheel-windows-x86_64 - path: dist diff --git a/.gitignore b/.gitignore deleted file mode 100644 index 5ae7e4d89..000000000 --- a/.gitignore +++ /dev/null @@ -1,7 +0,0 @@ -Cargo.lock -target -docs/_build -docs/api/generated -.ipynb_checkpoints -__pycache__ -*.so \ No newline at end of file diff --git a/.nojekyll b/.nojekyll new file mode 100644 index 000000000..e69de29bb diff --git a/CHANGELOG.md b/CHANGELOG.md deleted file mode 100644 index 73c4b7d03..000000000 --- a/CHANGELOG.md +++ /dev/null @@ -1,200 +0,0 @@ -# Changelog -All notable changes to this project will be documented in this file. - -The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), -and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). - -## [Unreleased] -### Added -- Add Rayon global thread pool control via `FEOS_MAX_THREADS` and `set_num_threads()`/ `get_num_threads()` to Python. [#346](https://github.com/feos-org/feos/pull/346) -- Added DIPPR107 parameterization for ideal gas heat capacities of Burkhardt et al. [#344](https://github.com/feos-org/feos/pull/344) - -### Fixed -- Fixed the calculation of temperature and pressure derivatives of dew and bubble points. [#347](https://github.com/feos-org/feos/pull/347) - -## [0.9.4] - 2026-03-09 -### Changed -- Automatically detect VLLEs in `BinaryPhaseDiagram`. [#341](https://github.com/feos-org/feos/pull/341) - -### Fixed -- Fixed the sign of the isothermal compressibility. [#342](https://github.com/feos-org/feos/pull/342) - -## [0.9.3] - 2026-01-26 -### Added -- Added `py-feos` tests to GitHub Actions and moved `pyo3/extension-module` feature to `pyproject.toml`. [#334](https://github.com/feos-org/feos/pull/334) - -### Fixed -- Fixed `None` transformation when binary parameters are provided to `PyParameters` to properly raise errors. [#334](https://github.com/feos-org/feos/pull/334) -- Fixed the calculation of critical points and tp-flashes when one or more of the mixture components have zero composition. [#331](https://github.com/feos-org/feos/pull/331) - -## [0.9.2] - 2025-12-11 -### Fixed -- Fixed calculation of enthalpies of adsorption for mixtures. [#329](https://github.com/feos-org/feos/pull/329) -- Updated to `ndarray` 0.17 and `num-dual`0.13 to fix a broken dependency resolution. [#327](https://github.com/feos-org/feos/pull/327) -- Fixed calculation of parameter combination in entropy scaling for mixtures in `viscosity_correlation`, `diffusion_correlation`, `thermal_conductivity_correlation`. [#323](https://github.com/feos-org/feos/pull/323) - -## [0.9.1] - 2025-11-24 -### Fixed -- Fixed a wrong Jacobian entry in `heteroazeotrope_t`. (Thanks to @ImagineBaggins for reporting the issue) [#320](https://github.com/feos-org/feos/pull/320) - -## [0.9.0] - 2025-11-08 -### Added -- Integrated the functionalities of [`feos-ad`](https://github.com/feos-org/feos-ad). [#289](https://github.com/feos-org/feos/pull/289) - - In Rust: Full access to arbitrary derivatives of properties and phase equilibria with respect to model parameters. See, e.g., [`feos-campd`](https://github.com/feos-org/feos-campd) for an application to molecular design. - - In Python: Specialized functions for the parallel evaluation of relevant properties (vapor pressure, liquid density, bubble/dew point pressure) including the gradients with respect to model parameters for parameter estimations or the inclusion in backpropagation frameworks. -- Implement pure-component multiparameter equations of state from CoolProp. [#301](https://github.com/feos-org/feos/pull/301) - -### Changed -- :warning: Changed the format of parameter files. The contents of the old `model_record` field are now flattened into the `PureRecord`/`SegmentRecord`. [#233](https://github.com/feos-org/feos/pull/233) -- Generalized the implementation of association to allow for arbitrarily many association sites per molecule or group and full control over each interaction. [#233](https://github.com/feos-org/feos/pull/233) [#290](https://github.com/feos-org/feos/pull/290) -- Reimplemented the Python interface to avoid the necessity of having multiple classes with the same name. - - `feos.eos.State` and `feos.dft.State` (and analogous classes) are combined into `feos.State`. [#274](https://github.com/feos-org/feos/pull/274) - - All `feos..PureRecord` (and similar classes) are combined into `feos.PureRecord`. [#271](https://github.com/feos-org/feos/pull/271) -- All Python classes are exported at the package root. [#309](https://github.com/feos-org/feos/pull/309) -- Add initial density as optional argument to critical point algorithms. [#300](https://github.com/feos-org/feos/pull/300) - -### Packaging -- Updated `quantity` dependency to 0.12. -- Updated `num-dual` dependency to 0.12. -- Updated `numpy`, `PyO3` and `pythonize` dependencies to 0.27. -- Updated `nalgebra` dependency to 0.34. - -## [0.8.0] - 2024-12-28 -### Fixed -- Fixed the handling of association records in combination with induced association in PC-SAFT [#264](https://github.com/feos-org/feos/pull/264) - -### Packaging -- Updated `quantity` dependency to 0.10. [#262](https://github.com/feos-org/feos/pull/262) -- Updated `num-dual` dependency to 0.11. [#262](https://github.com/feos-org/feos/pull/262) -- Updated `numpy` and `PyO3` dependencies to 0.23. [#262](https://github.com/feos-org/feos/pull/262) - -## [0.7.0] - 2024-05-21 -### Added -- Added SAFT-VR Mie equation of state. [#237](https://github.com/feos-org/feos/pull/237) -- Added ePC-SAFT equation of state. [#229](https://github.com/feos-org/feos/pull/229) - -### Changed -- Updated model implementations to account for the removal of trait objects for Helmholtz energy contributions and the de Broglie in `feos-core`. [#226](https://github.com/feos-org/feos/pull/226) -- Changed Helmholtz energy functions in `PcSaft` contributions so that the temperature-dependent diameter is re-used across different contributions. [#226](https://github.com/feos-org/feos/pull/226) -- Renamed structs in `uvtheory` module in accordance with names in other models (`UV...` to `UVTheory...`). [#226](https://github.com/feos-org/feos/pull/226) -- Restructured `uvtheory` module: added modules for BH and WCA. [#226](https://github.com/feos-org/feos/pull/226) -- Updated github action versions for CI/CD. [#226](https://github.com/feos-org/feos/pull/226) -- Added `codegen-units = 1` to `release-lto` profile. [#226](https://github.com/feos-org/feos/pull/226) - -### Removed -- Removed `VirialOrder` from `uvtheory` module. Orders are now variants of the existing `Perturbation` enum. [#226](https://github.com/feos-org/feos/pull/226) - -### Packaging -- Updated `quantity` dependency to 0.8. [#238](https://github.com/feos-org/feos/pull/238) -- Updated `num-dual` dependency to 0.9. [#238](https://github.com/feos-org/feos/pull/238) -- Updated `numpy` and `PyO3` dependencies to 0.21. [#238](https://github.com/feos-org/feos/pull/238) - -## [0.6.1] - 2024-01-11 -- Python only: Release the changes introduced in `feos-core` 0.6.1. - -## [0.6.0] - 2023-12-19 -### Added -- Added `EquationOfState.ideal_gas()` to initialize an equation of state that only consists of an ideal gas contribution. [#204](https://github.com/feos-org/feos/pull/204) -- Added `PureRecord`, `SegmentRecord`, `Identifier`, and `IdentifierOption` to `feos.ideal_gas`. [#205](https://github.com/feos-org/feos/pull/205) -- Added implementation of the Joback ideal gas model that was previously part of `feos-core`. [#204](https://github.com/feos-org/feos/pull/204) -- Added an implementation of the ideal gas heat capacity based on DIPPR equations. [#204](https://github.com/feos-org/feos/pull/204) -- Added re-exports for the members of `feos-core` and `feos-dft` in the new modules `feos::core` and `feos::dft`. [#212](https://github.com/feos-org/feos/pull/212) - -### Changed -- Split `feos.ideal_gas` into `feos.joback` and `feos.dippr`. [#204](https://github.com/feos-org/feos/pull/204) - -## [0.5.1] - 2023-11-23 -- Python only: Release the changes introduced in `feos-core` 0.5.1. - -## [0.5.0] - 2023-10-20 -### Added -- Added `IdealGasModel` enum that collects all implementors of the `IdealGas` trait. [#158](https://github.com/feos-org/feos/pull/158) -- Added `feos.ideal_gas` module in Python from which (currently) `Joback` and `JobackParameters` are available. [#158](https://github.com/feos-org/feos/pull/158) -- Added binary association parameters to PC-SAFT. [#167](https://github.com/feos-org/feos/pull/167) -- Added derive for `EntropyScaling` for SAFT-VRQ Mie to `ResidualModel` and adjusted parameter initialization. [#179](https://github.com/feos-org/feos/pull/179) - -### Changed -- Changed the internal implementation of the association contribution to accomodate more general association schemes. [#150](https://github.com/feos-org/feos/pull/150) -- To comply with the new association implementation, the default values of `na` and `nb` are now `0` rather than `1`. Parameter files have been adapted accordingly. [#150](https://github.com/feos-org/feos/pull/150) -- Added the possibility to specify a pure component correction parameter `phi` for the heterosegmented gc PC-SAFT equation of state. [#157](https://github.com/feos-org/feos/pull/157) -- Adjusted all models' implementation of the `Parameter` trait which now requires `Result`s in some methods. [#161](https://github.com/feos-org/feos/pull/161) -- Renamed `EosVariant` to `ResidualModel`. [#158](https://github.com/feos-org/feos/pull/158) -- Added methods to add an ideal gas contribution to an initialized equation of state object in Python. [#158](https://github.com/feos-org/feos/pull/158) -- Moved `molar_weight` impls to `Residual` due to removal of `MolarWeight` trait. [#177](https://github.com/feos-org/feos/pull/158) - -### Packaging -- Updated `quantity` dependency to 0.7. -- Updated `num-dual` dependency to 0.8. [#137](https://github.com/feos-org/feos/pull/137) -- Updated `numpy` and `PyO3` dependencies to 0.20. - -## [0.4.3] - 2023-03-20 -- Python only: Release the changes introduced in `feos-core` 0.4.2. - -## [0.4.2] - 2023-03-20 -- Python only: Release the changes introduced in `feos-core` 0.4.1 and `feos-dft` 0.4.1. - -## [0.4.1] - 2023-01-28 -### Changed -- Replaced some slow array operations to make calculations with multiple associating molecules significantly faster. [#129](https://github.com/feos-org/feos/pull/129) - -### Fixed -- Fixed a regression introduced in [#108](https://github.com/feos-org/feos/pull/108) that lead to incorrect results for the 3B association scheme. [#129](https://github.com/feos-org/feos/pull/129) - -## [0.4.0] - 2023-01-27 -### Added -- Added SAFT-VRQ Mie equation of state and Helmholtz energy functional for first order Feynman-Hibbs corrected Mie fluids. [#79](https://github.com/feos-org/feos/pull/79) -- Added `estimator` module to documentation. [#86](https://github.com/feos-org/feos/pull/86) -- Added benchmarks for the evaluation of the Helmholtz energy and some properties of the `State` object for PC-SAFT. [#89](https://github.com/feos-org/feos/pull/89) -- The Python class `StateVec` is exposed in both the `feos.eos` and `feos.dft` module. [#113](https://github.com/feos-org/feos/pull/113) -- Added uv-B3-theory and additional optional argument `virial_order` to uvtheory constructor to enable uv-B3. [#98](https://github.com/feos-org/feos/pull/98) - -### Changed -- Export `EosVariant` and `FunctionalVariant` directly in the crate root instead of their own modules. [#62](https://github.com/feos-org/feos/pull/62) -- Changed constructors `VaporPressure::new` and `DataSet.vapor_pressure` (Python) to take a new optional argument `critical_temperature`. [#86](https://github.com/feos-org/feos/pull/86) -- The limitations of the homo gc method for PC-SAFT are enforced more strictly. [#88](https://github.com/feos-org/feos/pull/88) -- Removed generics for units in all structs and traits in favor of static SI units. [#115](https://github.com/feos-org/feos/pull/115) - -### Packaging -- Updated `pyo3` and `numpy` dependencies to 0.18. [#119](https://github.com/feos-org/feos/pull/119) -- Updated `quantity` dependency to 0.6. [#119](https://github.com/feos-org/feos/pull/119) -- Updated `num-dual` dependency to 0.6. [#119](https://github.com/feos-org/feos/pull/119) - - -### Fixed -- Fixed incorrect indexing that lead to panics in the polar contribution of gc-PC-SAFT. [#104](https://github.com/feos-org/feos/pull/104) -- `VaporPressure` now returns an empty array instead of crashing. [#124](https://github.com/feos-org/feos/pull/124) - -## [0.3.0] - 2022-09-14 -- Major restructuring of the entire `feos` project. All individual models are reunited in the `feos` crate. `feos-core` and `feos-dft` still live as individual crates within the `feos` workspace. - -## [0.2.1] - 2022-05-13 -### Fixed -- Fixed a bug due to which the default ideal gas contribution was used for every equation of state. [#17](https://github.com/feos-org/feos/pull/17) - -## [0.2.0] - 2022-05-10 -### Added -- Added [gc-PC-SAFT](https://github.com/feos-org/feos-gc-pcsaft) equation of state and Helmholtz energy functional. -- Added [PeTS](https://github.com/feos-org/feos-pets) equation of state and Helmholtz energy functional. -- Added [UV-Theory](https://github.com/feos-org/feos-uvtheory) equation of state for Mie fluids. - -### Changed -- Combined all equations of state into a single Python class `EquationOfState` and all Helmholtz energy functionals into the Python class `HelmholtzEnergyFunctional`. [#11](https://github.com/feos-org/feos/pull/11) - -### Packaging -- Updated [`quantity`](https://github.com/itt-ustutt/quantity/blob/master/CHANGELOG.md) to 0.5.0. -- Updated [`feos-core`](https://github.com/feos-org/feos-core/blob/main/CHANGELOG.md) to 0.2.0. -- Updated [`feos-dft`](https://github.com/feos-org/feos-dft/blob/main/CHANGELOG.md) to 0.2.0. -- Updated [`feos-pcsaft`](https://github.com/feos-org/feos-pcsaft/blob/main/CHANGELOG.md) to 0.2.0. - -## [0.1.1] - 2022-02-23 -### Added -- Added `pyproject.toml`. [#8](https://github.com/feos-org/feos/pull/8) -- Fixed modules of `SI` classes to make them pickleable. [#8](https://github.com/feos-org/feos/pull/8) - -### Packaging -- Updated [`feos-core`](https://github.com/feos-org/feos-core/blob/main/CHANGELOG.md) to 0.1.5. -- Updated [`feos-dft`](https://github.com/feos-org/feos-dft/blob/main/CHANGELOG.md) to 0.1.3. - -## [0.1.0] - 2022-01-14 -### Added -- Initial release diff --git a/CITATION.bib b/CITATION.bib deleted file mode 100644 index e05de1b39..000000000 --- a/CITATION.bib +++ /dev/null @@ -1,12 +0,0 @@ -@article{rehner2023feos, - author = {Rehner, Philipp and Bauer, Gernot and Gross, Joachim}, - title = {FeOs: An Open-Source Framework for Equations of State and Classical Density Functional Theory}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {62}, - number = {12}, - pages = {5347-5357}, - year = {2023}, - doi = {10.1021/acs.iecr.2c04561}, - URL = {https://doi.org/10.1021/acs.iecr.2c04561}, - eprint = {https://doi.org/10.1021/acs.iecr.2c04561} -} diff --git a/Cargo.toml b/Cargo.toml deleted file mode 100644 index 5f4bd6586..000000000 --- a/Cargo.toml +++ /dev/null @@ -1,60 +0,0 @@ -[workspace] -resolver = "2" -members = ["crates/*", "py-feos"] -default-members = ["crates/feos"] - -[workspace.package] -version = "0.9.4" -edition = "2024" -authors = [ - "Gernot Bauer ", - "Philipp Rehner ", -] -license = "MIT OR Apache-2.0" -homepage = "https://github.com/feos-org" -repository = "https://github.com/feos-org/feos" -keywords = [ - "physics", - "thermodynamics", - "equations_of_state", - "phase_equilibria", -] -categories = ["science"] - -[workspace.dependencies] -quantity = "0.12" -num-dual = "0.13" -ndarray = "0.17" -nalgebra = "0.34" -thiserror = "2.0" -conv = "0.3" -num-traits = "0.2" -serde = "1.0" -serde_json = "1.0" -indexmap = "2.0" -itertools = "0.14" -typenum = "1.16" -rayon = "1.11" -petgraph = "0.8" -rustdct = "0.7" -rustfft = "6.0" -libm = "0.2" -gauss-quad = "0.2" -approx = "0.5" -criterion = "0.8" -paste = "1.0" - -feos-core = { version = "0.9", path = "crates/feos-core" } -feos-dft = { version = "0.9", path = "crates/feos-dft" } -feos-derive = { version = "0.9", path = "crates/feos-derive" } -feos = { version = "0.9", path = "crates/feos" } - -[profile.release-lto] -inherits = "release" -lto = true -codegen-units = 1 - -[profile.release-lto-thin] -inherits = "release" -lto = "thin" -codegen-units = 1 diff --git a/README.md b/README.md deleted file mode 100644 index 4627a2234..000000000 --- a/README.md +++ /dev/null @@ -1,199 +0,0 @@ -# FeOs - A Framework for Equations of State and Classical Density Functional Theory - -[![crate](https://img.shields.io/crates/v/feos?logo=rust)](https://crates.io/crates/feos) -[![documentation](https://img.shields.io/docsrs/feos?logo=rust)](https://docs.rs/feos) -[![repository](https://img.shields.io/pypi/v/feos?logo=python)](https://pypi.org/project/feos/) -[![documentation](https://img.shields.io/badge/docs-github--pages-blue?logo=python)](https://feos-org.github.io/feos/) -[![FeOs Publication](https://img.shields.io/badge/DOI-10.1021/acs.iecr.2c04561-passing)](https://pubs.acs.org/doi/10.1021/acs.iecr.2c04561) - -The `FeOs` package provides Rust implementations of different equation of state and Helmholtz energy functional models and corresponding Python bindings. - -```python -import feos -import si_units as si - -# PC-SAFT parameters for methanol (Gross and Sadowski 2002) -record = feos.PureRecord( - feos.Identifier(name="methanol"), - molarweight=32.04, - m=1.5255, - sigma=3.23, - epsilon_k=188.9, - association_sites=[{ - "kappa_ab": 0.035176, - "epsilon_k_ab": 2899.5, - "na": 1, - "nb": 1, - }] -) - -# Build an equation of state -parameters = feos.Parameters.new_pure(record) -eos = feos.EquationOfState.pcsaft(parameters) - -# Define thermodynamic conditions -critical_point = feos.State.critical_point(eos) - -# Compute properties -p = critical_point.pressure() -t = critical_point.temperature -print(f"Critical point for methanol: T={t/si.KELVIN:.1f} K, p={p/si.BAR:.1f} bar.") -``` -```terminal -Critical point for methanol: T=531.5 K, p=106.5 bar. -``` - -## Models -The following models are currently published as part of the `FeOs` framework - -|name|description|eos|dft| -|-|-|:-:|:-:| -|`pcsaft`|perturbed-chain (polar) statistical associating fluid theory|✓|✓| -|`epcsaft`|electrolyte PC-SAFT|✓|| -|`gc-pcsaft`|(heterosegmented) group contribution PC-SAFT|✓|✓| -|`pets`|perturbed truncated and shifted Lennard-Jones mixtures|✓|✓| -|`uvtheory`|equation of state for Mie fluids and mixtures|✓|| -|`saftvrqmie`|equation of state for quantum fluids and mixtures|✓|✓| -|`saftvrmie`|statistical associating fluid theory for variable range interactions of Mie form|✓|| -|`multiparameter`| Multiparameter Helmholtz energy equations of state for common pure components|✓|| - -The list is being expanded continuously. Currently under development are implementations of Helmholtz energy functionals for the UV theory and for SAFT-VR Mie. - -Other public repositories that implement models within the `FeOs` framework, but are currently not part of the `feos` Python package, are - -|name|description|eos|dft| -|-|-|:-:|:-:| -|[`feos-fused-chains`](https://github.com/feos-org/feos-fused-chains)|heterosegmented fused-sphere chain functional||✓| - -## Parameters -In addition to the source code for the Rust and Python packages, this repository contains JSON files with previously published [parameters](https://github.com/feos-org/feos/tree/main/parameters) for the different models including group contribution methods. The parameter files can be read directly from Rust or Python. - -> [!WARNING] -> The format for parameter files changed between releases `0.8.0` and `0.9.0`. You find parameters for new versions in the [parameters](https://github.com/feos-org/feos/tree/main/parameters) directory and for versions up to `0.8.0` in the [parameters_old](https://github.com/feos-org/feos/tree/main/parameters_old) directory.

-If you maintain your own parameter files, there are two adjustments you need to make when upgrading to `feos 0.9.0`: -> - Flatten the contents of the `model_record` field directly into the pure or segment record. -> - Move association parameters into a list called `association_sites`. -> -> The structure of the JSON files and the `PureRecord` and `SegmentRecord` classes in Python is identical. - -## Properties and phase equilibria - -The crate makes use of [generalized (hyper-) dual numbers](https://github.com/itt-ustutt/num-dual) to generically calculate exact partial derivatives from Helmholtz energy equations of state. The derivatives are used to calculate -- **equilibrium properties** (pressure, heat capacity, fugacity, and *many* more), -- **transport properties** (viscosity, thermal conductivity, diffusion coefficients) using the entropy scaling approach -- **critical points** and **phase equilibria** for pure components and mixtures. - -In addition to that, utilities are provided to assist in the handling of **parameters** for both molecular equations of state and (homosegmented) group contribution methods and for the generation of phase diagrams for pure components and binary mixtures. - -## Classical density functional theory - -`FeOs` uses efficient numerical methods to calculate density profiles in inhomogeneous systems. Highlights include: -- Fast calculation of convolution integrals in cartesian (1D, 2D and 3D), polar, cylindrical, and spherical coordinate systems using FFT and related algorithms. -- Automatic calculation of partial derivatives of Helmholtz energy densities (including temperature derivatives) using automatic differentiation with [generalized (hyper-) dual numbers](https://github.com/itt-ustutt/num-dual). -- Modeling of heterosegmented molecules, including branched molecules. -- Functionalities for calculating surface tensions, adsorption isotherms, pair correlation functions, and solvation free energies. - -## Cargo features - -Without additional features activated, the command -``` -cargo test --release -``` -will only build and test the core functionalities of the crate. To run unit and integration tests for specific models, run -``` -cargo test --release --features pcsaft -``` -to test, e.g., the implementation of PC-SAFT or -``` -cargo test --release --features all_models -``` -to run tests on all implemented models. - -## Python package - -`FeOs` uses the [`PyO3`](https://github.com/PyO3/pyo3) framework to provide Python bindings. The Python package can be installed via `pip` and runs on Windows, Linux and macOS: - -``` -pip install feos -``` - -If there is no compiled package for your system available from PyPI and you have a Rust compiler installed, you can instead build the python package from source using - -``` -pip install git+https://github.com/feos-org/feos -``` - -This command builds the package without link-time optimization (LTO) that can be used to increase the performance further. -See the *Building from source* section for information about building the wheel including LTO. - -### Building from source - -To compile the code you need the Rust compiler and `maturin` installed. -To install the package directly into the active environment (virtualenv or conda), use - -``` -cd py-feos -maturin develop --release -``` - -which uses the `python` and `all_models` feature as specified in the `pyproject.toml` file. - -Alternatively, you can specify the models or features that you want to include in the python package explicitly, e.g. - -``` -maturin develop --release --features "pcsaft dft" -``` - -for the PC-SAFT equation of state and Helmholtz energy functional. - -To build wheels including link-time optimization (LTO), use - -``` -maturin build --profile="release-lto" -``` - -which will use the `python` and `all_models` features specified in the `pyproject.toml` file. -Use the following command to build a wheel with specific features: - -``` -maturin build --profile="release-lto" --features "pcsaft ..." -``` - -LTO increases compile times measurably but the resulting wheel is more performant and has a smaller size. -For development however, we recommend using the `--release` flag. - -## Documentation - -For a documentation of the Python API, Python examples, and a guide to the underlying Rust framework check out the [documentation](https://feos-org.github.io/feos/). - -## Benchmarks - -Check out the [benches](https://github.com/feos-org/feos/tree/main/crates/feos/benches) directory for information about provided Rust benchmarks and how to run them. - -## Developers - -This software is currently maintained by members of the groups of -- Prof. Joachim Gross, [Institute of Thermodynamics and Thermal Process Engineering (ITT), University of Stuttgart](https://www.itt.uni-stuttgart.de/) -- Prof. André Bardow, [Energy and Process Systems Engineering (EPSE), ETH Zurich](https://epse.ethz.ch/) - -## Contributing - -`FeOs` grew from the need to maintain a common codebase used within the scientific work done in our groups. We share the code publicly as a platform to publish our own research but also encourage other researchers and developers to contribute their own models or implementations of existing equations of state. - -If you want to contribute to ``FeOs``, there are several ways to go: improving the documentation and helping with language issues, testing the code on your systems to find bugs, adding new models or algorithms, or providing feature requests. Feel free to message us if you have questions or open an issue to discuss improvements. - -## Cite us - -If you find `FeOs` useful for your own scientific studies, consider citing our [publication](https://pubs.acs.org/doi/full/10.1021/acs.iecr.2c04561) accompanying this library. - -``` -@article{rehner2023feos, - author = {Rehner, Philipp and Bauer, Gernot and Gross, Joachim}, - title = {FeOs: An Open-Source Framework for Equations of State and Classical Density Functional Theory}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {62}, - number = {12}, - pages = {5347-5357}, - year = {2023}, -} -``` diff --git a/docs/theory/models/FeOs_Association.png b/_images/FeOs_Association.png similarity index 100% rename from docs/theory/models/FeOs_Association.png rename to _images/FeOs_Association.png diff --git a/_images/recipes_recipes_phase_diagram_pure_3_0.png b/_images/recipes_recipes_phase_diagram_pure_3_0.png new file mode 100644 index 000000000..21cf34269 Binary files /dev/null and b/_images/recipes_recipes_phase_diagram_pure_3_0.png differ diff --git a/_images/recipes_recipes_surface_tension_diagram_pure_5_0.png b/_images/recipes_recipes_surface_tension_diagram_pure_5_0.png new file mode 100644 index 000000000..a5ae93949 Binary files /dev/null and b/_images/recipes_recipes_surface_tension_diagram_pure_5_0.png differ diff --git a/_images/tutorials_dft_pcsaft_surface_tension_17_0.png b/_images/tutorials_dft_pcsaft_surface_tension_17_0.png new file mode 100644 index 000000000..5e7799eba Binary files /dev/null and b/_images/tutorials_dft_pcsaft_surface_tension_17_0.png differ diff --git a/_images/tutorials_dft_pcsaft_surface_tension_24_0.png b/_images/tutorials_dft_pcsaft_surface_tension_24_0.png new file mode 100644 index 000000000..c992c4111 Binary files /dev/null and b/_images/tutorials_dft_pcsaft_surface_tension_24_0.png differ diff --git a/_images/tutorials_eos_core_user_defined_eos_26_0.png b/_images/tutorials_eos_core_user_defined_eos_26_0.png new file mode 100644 index 000000000..ed39bd11c Binary files /dev/null and b/_images/tutorials_eos_core_user_defined_eos_26_0.png differ diff --git a/_images/tutorials_eos_core_user_defined_eos_32_0.png b/_images/tutorials_eos_core_user_defined_eos_32_0.png new file mode 100644 index 000000000..76f06e32d Binary files /dev/null and b/_images/tutorials_eos_core_user_defined_eos_32_0.png differ diff --git a/_images/tutorials_eos_core_user_defined_eos_33_0.png b/_images/tutorials_eos_core_user_defined_eos_33_0.png new file mode 100644 index 000000000..8083a1154 Binary files /dev/null and b/_images/tutorials_eos_core_user_defined_eos_33_0.png differ diff --git a/_images/tutorials_eos_core_user_defined_eos_46_0.png b/_images/tutorials_eos_core_user_defined_eos_46_0.png new file mode 100644 index 000000000..c59e34082 Binary files /dev/null and b/_images/tutorials_eos_core_user_defined_eos_46_0.png differ diff --git a/_images/tutorials_eos_pcsaft_entropy_scaling_14_0.png b/_images/tutorials_eos_pcsaft_entropy_scaling_14_0.png new file mode 100644 index 000000000..c1c04cec4 Binary files /dev/null and b/_images/tutorials_eos_pcsaft_entropy_scaling_14_0.png differ diff --git a/_images/tutorials_eos_pcsaft_phase_diagram_11_0.png b/_images/tutorials_eos_pcsaft_phase_diagram_11_0.png new file mode 100644 index 000000000..bd365911a Binary files /dev/null and b/_images/tutorials_eos_pcsaft_phase_diagram_11_0.png differ diff --git a/_images/tutorials_eos_pcsaft_phase_diagram_20_0.png b/_images/tutorials_eos_pcsaft_phase_diagram_20_0.png new file mode 100644 index 000000000..db20ac60f Binary files /dev/null and b/_images/tutorials_eos_pcsaft_phase_diagram_20_0.png differ diff --git a/docs/api/ad.md b/_sources/api/ad.md.txt similarity index 100% rename from docs/api/ad.md rename to _sources/api/ad.md.txt diff --git a/docs/api/dft.md b/_sources/api/dft.md.txt similarity index 100% rename from docs/api/dft.md rename to _sources/api/dft.md.txt diff --git a/docs/api/eos.md b/_sources/api/eos.md.txt similarity index 100% rename from docs/api/eos.md rename to _sources/api/eos.md.txt diff --git a/_sources/api/generated/feos.Adsorption1D.__init__.rst.txt b/_sources/api/generated/feos.Adsorption1D.__init__.rst.txt new file mode 100644 index 000000000..a01c9b5e9 --- /dev/null +++ b/_sources/api/generated/feos.Adsorption1D.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + + +
+ +feos.Adsorption1D.\_\_init\_\_ +============================== + +.. currentmodule:: feos + +.. automethod:: Adsorption1D.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption1D.adsorption_isotherm.rst.txt b/_sources/api/generated/feos.Adsorption1D.adsorption_isotherm.rst.txt new file mode 100644 index 000000000..5b0d69acd --- /dev/null +++ b/_sources/api/generated/feos.Adsorption1D.adsorption_isotherm.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Adsorption1D.adsorption\_isotherm +====================================== + +.. currentmodule:: feos + +.. automethod:: Adsorption1D.adsorption_isotherm \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption1D.desorption_isotherm.rst.txt b/_sources/api/generated/feos.Adsorption1D.desorption_isotherm.rst.txt new file mode 100644 index 000000000..c45dc0555 --- /dev/null +++ b/_sources/api/generated/feos.Adsorption1D.desorption_isotherm.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Adsorption1D.desorption\_isotherm +====================================== + +.. currentmodule:: feos + +.. automethod:: Adsorption1D.desorption_isotherm \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption1D.equilibrium_isotherm.rst.txt b/_sources/api/generated/feos.Adsorption1D.equilibrium_isotherm.rst.txt new file mode 100644 index 000000000..2d2b47055 --- /dev/null +++ b/_sources/api/generated/feos.Adsorption1D.equilibrium_isotherm.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Adsorption1D.equilibrium\_isotherm +======================================= + +.. currentmodule:: feos + +.. automethod:: Adsorption1D.equilibrium_isotherm \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption1D.phase_equilibrium.rst.txt b/_sources/api/generated/feos.Adsorption1D.phase_equilibrium.rst.txt new file mode 100644 index 000000000..b20e53106 --- /dev/null +++ b/_sources/api/generated/feos.Adsorption1D.phase_equilibrium.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Adsorption1D.phase\_equilibrium +==================================== + +.. currentmodule:: feos + +.. automethod:: Adsorption1D.phase_equilibrium \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption1D.rst.txt b/_sources/api/generated/feos.Adsorption1D.rst.txt new file mode 100644 index 000000000..289394959 --- /dev/null +++ b/_sources/api/generated/feos.Adsorption1D.rst.txt @@ -0,0 +1,43 @@ +.. raw:: html + +
+
+ +feos.Adsorption1D +================= + +.. currentmodule:: feos + +.. autoclass:: Adsorption1D + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~Adsorption1D.__init__ + ~Adsorption1D.adsorption_isotherm + ~Adsorption1D.desorption_isotherm + ~Adsorption1D.equilibrium_isotherm + ~Adsorption1D.phase_equilibrium + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~Adsorption1D.adsorption + ~Adsorption1D.enthalpy_of_adsorption + ~Adsorption1D.grand_potential + ~Adsorption1D.partial_molar_enthalpy_of_adsorption + ~Adsorption1D.pressure + ~Adsorption1D.profiles + ~Adsorption1D.total_adsorption + + \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption3D.__init__.rst.txt b/_sources/api/generated/feos.Adsorption3D.__init__.rst.txt new file mode 100644 index 000000000..8292e2d29 --- /dev/null +++ b/_sources/api/generated/feos.Adsorption3D.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Adsorption3D.\_\_init\_\_ +============================== + +.. currentmodule:: feos + +.. automethod:: Adsorption3D.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption3D.adsorption_isotherm.rst.txt b/_sources/api/generated/feos.Adsorption3D.adsorption_isotherm.rst.txt new file mode 100644 index 000000000..33d5d4675 --- /dev/null +++ b/_sources/api/generated/feos.Adsorption3D.adsorption_isotherm.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Adsorption3D.adsorption\_isotherm +====================================== + +.. currentmodule:: feos + +.. automethod:: Adsorption3D.adsorption_isotherm \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption3D.desorption_isotherm.rst.txt b/_sources/api/generated/feos.Adsorption3D.desorption_isotherm.rst.txt new file mode 100644 index 000000000..ab26e132d --- /dev/null +++ b/_sources/api/generated/feos.Adsorption3D.desorption_isotherm.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Adsorption3D.desorption\_isotherm +====================================== + +.. currentmodule:: feos + +.. automethod:: Adsorption3D.desorption_isotherm \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption3D.equilibrium_isotherm.rst.txt b/_sources/api/generated/feos.Adsorption3D.equilibrium_isotherm.rst.txt new file mode 100644 index 000000000..ea86a43ae --- /dev/null +++ b/_sources/api/generated/feos.Adsorption3D.equilibrium_isotherm.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Adsorption3D.equilibrium\_isotherm +======================================= + +.. currentmodule:: feos + +.. automethod:: Adsorption3D.equilibrium_isotherm \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption3D.phase_equilibrium.rst.txt b/_sources/api/generated/feos.Adsorption3D.phase_equilibrium.rst.txt new file mode 100644 index 000000000..8a2168d7d --- /dev/null +++ b/_sources/api/generated/feos.Adsorption3D.phase_equilibrium.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Adsorption3D.phase\_equilibrium +==================================== + +.. currentmodule:: feos + +.. automethod:: Adsorption3D.phase_equilibrium \ No newline at end of file diff --git a/_sources/api/generated/feos.Adsorption3D.rst.txt b/_sources/api/generated/feos.Adsorption3D.rst.txt new file mode 100644 index 000000000..a0b9218da --- /dev/null +++ b/_sources/api/generated/feos.Adsorption3D.rst.txt @@ -0,0 +1,43 @@ +.. raw:: html + +
+
+ +feos.Adsorption3D +================= + +.. currentmodule:: feos + +.. autoclass:: Adsorption3D + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~Adsorption3D.__init__ + ~Adsorption3D.adsorption_isotherm + ~Adsorption3D.desorption_isotherm + ~Adsorption3D.equilibrium_isotherm + ~Adsorption3D.phase_equilibrium + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~Adsorption3D.adsorption + ~Adsorption3D.enthalpy_of_adsorption + ~Adsorption3D.grand_potential + ~Adsorption3D.partial_molar_enthalpy_of_adsorption + ~Adsorption3D.pressure + ~Adsorption3D.profiles + ~Adsorption3D.total_adsorption + + \ No newline at end of file diff --git a/_sources/api/generated/feos.BinaryRecord.__init__.rst.txt b/_sources/api/generated/feos.BinaryRecord.__init__.rst.txt new file mode 100644 index 000000000..46ad12c84 --- /dev/null +++ b/_sources/api/generated/feos.BinaryRecord.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.BinaryRecord.\_\_init\_\_ +============================== + +.. currentmodule:: feos + +.. automethod:: BinaryRecord.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.BinaryRecord.from_json_str.rst.txt b/_sources/api/generated/feos.BinaryRecord.from_json_str.rst.txt new file mode 100644 index 000000000..3a6d40f70 --- /dev/null +++ b/_sources/api/generated/feos.BinaryRecord.from_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.BinaryRecord.from\_json\_str +================================= + +.. currentmodule:: feos + +.. automethod:: BinaryRecord.from_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.BinaryRecord.rst.txt b/_sources/api/generated/feos.BinaryRecord.rst.txt new file mode 100644 index 000000000..998337f15 --- /dev/null +++ b/_sources/api/generated/feos.BinaryRecord.rst.txt @@ -0,0 +1,38 @@ +.. raw:: html + +
+
+ +feos.BinaryRecord +================= + +.. currentmodule:: feos + +.. autoclass:: BinaryRecord + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~BinaryRecord.__init__ + ~BinaryRecord.from_json_str + ~BinaryRecord.to_dict + ~BinaryRecord.to_json_str + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~BinaryRecord.id1 + ~BinaryRecord.id2 + ~BinaryRecord.model_record + + \ No newline at end of file diff --git a/_sources/api/generated/feos.BinaryRecord.to_dict.rst.txt b/_sources/api/generated/feos.BinaryRecord.to_dict.rst.txt new file mode 100644 index 000000000..1bd0b5a19 --- /dev/null +++ b/_sources/api/generated/feos.BinaryRecord.to_dict.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.BinaryRecord.to\_dict +========================== + +.. currentmodule:: feos + +.. automethod:: BinaryRecord.to_dict \ No newline at end of file diff --git a/_sources/api/generated/feos.BinaryRecord.to_json_str.rst.txt b/_sources/api/generated/feos.BinaryRecord.to_json_str.rst.txt new file mode 100644 index 000000000..960596b2b --- /dev/null +++ b/_sources/api/generated/feos.BinaryRecord.to_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.BinaryRecord.to\_json\_str +=============================== + +.. currentmodule:: feos + +.. automethod:: BinaryRecord.to_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.BinarySegmentRecord.__init__.rst.txt b/_sources/api/generated/feos.BinarySegmentRecord.__init__.rst.txt new file mode 100644 index 000000000..779ea20b6 --- /dev/null +++ b/_sources/api/generated/feos.BinarySegmentRecord.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.BinarySegmentRecord.\_\_init\_\_ +===================================== + +.. currentmodule:: feos + +.. automethod:: BinarySegmentRecord.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.BinarySegmentRecord.from_json_str.rst.txt b/_sources/api/generated/feos.BinarySegmentRecord.from_json_str.rst.txt new file mode 100644 index 000000000..15685bebd --- /dev/null +++ b/_sources/api/generated/feos.BinarySegmentRecord.from_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.BinarySegmentRecord.from\_json\_str +======================================== + +.. currentmodule:: feos + +.. automethod:: BinarySegmentRecord.from_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.BinarySegmentRecord.rst.txt b/_sources/api/generated/feos.BinarySegmentRecord.rst.txt new file mode 100644 index 000000000..3f64f8cb2 --- /dev/null +++ b/_sources/api/generated/feos.BinarySegmentRecord.rst.txt @@ -0,0 +1,38 @@ +.. raw:: html + +
+
+ +feos.BinarySegmentRecord +======================== + +.. currentmodule:: feos + +.. autoclass:: BinarySegmentRecord + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~BinarySegmentRecord.__init__ + ~BinarySegmentRecord.from_json_str + ~BinarySegmentRecord.to_dict + ~BinarySegmentRecord.to_json_str + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~BinarySegmentRecord.id1 + ~BinarySegmentRecord.id2 + ~BinarySegmentRecord.model_record + + \ No newline at end of file diff --git a/_sources/api/generated/feos.BinarySegmentRecord.to_dict.rst.txt b/_sources/api/generated/feos.BinarySegmentRecord.to_dict.rst.txt new file mode 100644 index 000000000..084459358 --- /dev/null +++ b/_sources/api/generated/feos.BinarySegmentRecord.to_dict.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.BinarySegmentRecord.to\_dict +================================= + +.. currentmodule:: feos + +.. automethod:: BinarySegmentRecord.to_dict \ No newline at end of file diff --git a/_sources/api/generated/feos.BinarySegmentRecord.to_json_str.rst.txt b/_sources/api/generated/feos.BinarySegmentRecord.to_json_str.rst.txt new file mode 100644 index 000000000..c5a2d775f --- /dev/null +++ b/_sources/api/generated/feos.BinarySegmentRecord.to_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.BinarySegmentRecord.to\_json\_str +====================================== + +.. currentmodule:: feos + +.. automethod:: BinarySegmentRecord.to_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.ChemicalRecord.__init__.rst.txt b/_sources/api/generated/feos.ChemicalRecord.__init__.rst.txt new file mode 100644 index 000000000..fd26c7c6a --- /dev/null +++ b/_sources/api/generated/feos.ChemicalRecord.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ChemicalRecord.\_\_init\_\_ +================================ + +.. currentmodule:: feos + +.. automethod:: ChemicalRecord.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.ChemicalRecord.from_json.rst.txt b/_sources/api/generated/feos.ChemicalRecord.from_json.rst.txt new file mode 100644 index 000000000..cd0fcad93 --- /dev/null +++ b/_sources/api/generated/feos.ChemicalRecord.from_json.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ChemicalRecord.from\_json +============================== + +.. currentmodule:: feos + +.. automethod:: ChemicalRecord.from_json \ No newline at end of file diff --git a/_sources/api/generated/feos.ChemicalRecord.from_json_str.rst.txt b/_sources/api/generated/feos.ChemicalRecord.from_json_str.rst.txt new file mode 100644 index 000000000..83313189f --- /dev/null +++ b/_sources/api/generated/feos.ChemicalRecord.from_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ChemicalRecord.from\_json\_str +=================================== + +.. currentmodule:: feos + +.. automethod:: ChemicalRecord.from_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.ChemicalRecord.from_smiles.rst.txt b/_sources/api/generated/feos.ChemicalRecord.from_smiles.rst.txt new file mode 100644 index 000000000..23c319fe2 --- /dev/null +++ b/_sources/api/generated/feos.ChemicalRecord.from_smiles.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ChemicalRecord.from\_smiles +================================ + +.. currentmodule:: feos + +.. automethod:: ChemicalRecord.from_smiles \ No newline at end of file diff --git a/_sources/api/generated/feos.ChemicalRecord.rst.txt b/_sources/api/generated/feos.ChemicalRecord.rst.txt new file mode 100644 index 000000000..b00df3abf --- /dev/null +++ b/_sources/api/generated/feos.ChemicalRecord.rst.txt @@ -0,0 +1,39 @@ +.. raw:: html + +
+
+ +feos.ChemicalRecord +=================== + +.. currentmodule:: feos + +.. autoclass:: ChemicalRecord + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~ChemicalRecord.__init__ + ~ChemicalRecord.from_json + ~ChemicalRecord.from_json_str + ~ChemicalRecord.from_smiles + ~ChemicalRecord.to_json_str + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~ChemicalRecord.bonds + ~ChemicalRecord.identifier + ~ChemicalRecord.segments + + \ No newline at end of file diff --git a/_sources/api/generated/feos.ChemicalRecord.to_json_str.rst.txt b/_sources/api/generated/feos.ChemicalRecord.to_json_str.rst.txt new file mode 100644 index 000000000..54be305d6 --- /dev/null +++ b/_sources/api/generated/feos.ChemicalRecord.to_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ChemicalRecord.to\_json\_str +================================= + +.. currentmodule:: feos + +.. automethod:: ChemicalRecord.to_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.Contributions.__init__.rst.txt b/_sources/api/generated/feos.Contributions.__init__.rst.txt new file mode 100644 index 000000000..b171050f1 --- /dev/null +++ b/_sources/api/generated/feos.Contributions.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Contributions.\_\_init\_\_ +=============================== + +.. currentmodule:: feos + +.. automethod:: Contributions.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.Contributions.rst.txt b/_sources/api/generated/feos.Contributions.rst.txt new file mode 100644 index 000000000..70a709871 --- /dev/null +++ b/_sources/api/generated/feos.Contributions.rst.txt @@ -0,0 +1,35 @@ +.. raw:: html + +
+
+ +feos.Contributions +================== + +.. currentmodule:: feos + +.. autoclass:: Contributions + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~Contributions.__init__ + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~Contributions.IdealGas + ~Contributions.Residual + ~Contributions.Total + + \ No newline at end of file diff --git a/_sources/api/generated/feos.DFTSolver.__init__.rst.txt b/_sources/api/generated/feos.DFTSolver.__init__.rst.txt new file mode 100644 index 000000000..8aee1cf24 --- /dev/null +++ b/_sources/api/generated/feos.DFTSolver.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.DFTSolver.\_\_init\_\_ +=========================== + +.. currentmodule:: feos + +.. automethod:: DFTSolver.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.DFTSolver.anderson_mixing.rst.txt b/_sources/api/generated/feos.DFTSolver.anderson_mixing.rst.txt new file mode 100644 index 000000000..73a2cd0ec --- /dev/null +++ b/_sources/api/generated/feos.DFTSolver.anderson_mixing.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.DFTSolver.anderson\_mixing +=============================== + +.. currentmodule:: feos + +.. automethod:: DFTSolver.anderson_mixing \ No newline at end of file diff --git a/_sources/api/generated/feos.DFTSolver.newton.rst.txt b/_sources/api/generated/feos.DFTSolver.newton.rst.txt new file mode 100644 index 000000000..bda546c20 --- /dev/null +++ b/_sources/api/generated/feos.DFTSolver.newton.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.DFTSolver.newton +===================== + +.. currentmodule:: feos + +.. automethod:: DFTSolver.newton \ No newline at end of file diff --git a/_sources/api/generated/feos.DFTSolver.picard_iteration.rst.txt b/_sources/api/generated/feos.DFTSolver.picard_iteration.rst.txt new file mode 100644 index 000000000..4e157406d --- /dev/null +++ b/_sources/api/generated/feos.DFTSolver.picard_iteration.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.DFTSolver.picard\_iteration +================================ + +.. currentmodule:: feos + +.. automethod:: DFTSolver.picard_iteration \ No newline at end of file diff --git a/_sources/api/generated/feos.DFTSolver.rst.txt b/_sources/api/generated/feos.DFTSolver.rst.txt new file mode 100644 index 000000000..2cc14e0d0 --- /dev/null +++ b/_sources/api/generated/feos.DFTSolver.rst.txt @@ -0,0 +1,36 @@ +.. raw:: html + +
+
+ +feos.DFTSolver +============== + +.. currentmodule:: feos + +.. autoclass:: DFTSolver + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~DFTSolver.__init__ + ~DFTSolver.anderson_mixing + ~DFTSolver.newton + ~DFTSolver.picard_iteration + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~DFTSolver.default + + \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.__init__.rst.txt b/_sources/api/generated/feos.EquationOfState.__init__.rst.txt new file mode 100644 index 000000000..5409853f8 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.\_\_init\_\_ +================================= + +.. currentmodule:: feos + +.. automethod:: EquationOfState.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.dippr.rst.txt b/_sources/api/generated/feos.EquationOfState.dippr.rst.txt new file mode 100644 index 000000000..7f3abf525 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.dippr.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.dippr +========================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.dippr \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.epcsaft.rst.txt b/_sources/api/generated/feos.EquationOfState.epcsaft.rst.txt new file mode 100644 index 000000000..3b5606092 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.epcsaft.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.epcsaft +============================ + +.. currentmodule:: feos + +.. automethod:: EquationOfState.epcsaft \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.gc_pcsaft.rst.txt b/_sources/api/generated/feos.EquationOfState.gc_pcsaft.rst.txt new file mode 100644 index 000000000..05012d093 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.gc_pcsaft.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.gc\_pcsaft +=============================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.gc_pcsaft \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.ideal_gas.rst.txt b/_sources/api/generated/feos.EquationOfState.ideal_gas.rst.txt new file mode 100644 index 000000000..b2d235834 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.ideal_gas.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.ideal\_gas +=============================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.ideal_gas \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.joback.rst.txt b/_sources/api/generated/feos.EquationOfState.joback.rst.txt new file mode 100644 index 000000000..d61922584 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.joback.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.joback +=========================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.joback \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.max_density.rst.txt b/_sources/api/generated/feos.EquationOfState.max_density.rst.txt new file mode 100644 index 000000000..a22348770 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.max_density.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.max\_density +================================= + +.. currentmodule:: feos + +.. automethod:: EquationOfState.max_density \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.multiparameter.rst.txt b/_sources/api/generated/feos.EquationOfState.multiparameter.rst.txt new file mode 100644 index 000000000..ea97ebd7d --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.multiparameter.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.multiparameter +=================================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.multiparameter \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.multiparameter_ideal_gas.rst.txt b/_sources/api/generated/feos.EquationOfState.multiparameter_ideal_gas.rst.txt new file mode 100644 index 000000000..09efe7a90 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.multiparameter_ideal_gas.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.multiparameter\_ideal\_gas +=============================================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.multiparameter_ideal_gas \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.pcsaft.rst.txt b/_sources/api/generated/feos.EquationOfState.pcsaft.rst.txt new file mode 100644 index 000000000..5608f5ba9 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.pcsaft.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.pcsaft +=========================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.pcsaft \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.peng_robinson.rst.txt b/_sources/api/generated/feos.EquationOfState.peng_robinson.rst.txt new file mode 100644 index 000000000..a23d0724d --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.peng_robinson.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.peng\_robinson +=================================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.peng_robinson \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.pets.rst.txt b/_sources/api/generated/feos.EquationOfState.pets.rst.txt new file mode 100644 index 000000000..138072f03 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.pets.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.pets +========================= + +.. currentmodule:: feos + +.. automethod:: EquationOfState.pets \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.python_ideal_gas.rst.txt b/_sources/api/generated/feos.EquationOfState.python_ideal_gas.rst.txt new file mode 100644 index 000000000..fe3f3c53b --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.python_ideal_gas.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.python\_ideal\_gas +======================================= + +.. currentmodule:: feos + +.. automethod:: EquationOfState.python_ideal_gas \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.python_residual.rst.txt b/_sources/api/generated/feos.EquationOfState.python_residual.rst.txt new file mode 100644 index 000000000..1b07e38c5 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.python_residual.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.python\_residual +===================================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.python_residual \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.rst.txt b/_sources/api/generated/feos.EquationOfState.rst.txt new file mode 100644 index 000000000..5d1d1940f --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.rst.txt @@ -0,0 +1,53 @@ +.. raw:: html + +
+
+ +feos.EquationOfState +==================== + +.. currentmodule:: feos + +.. autoclass:: EquationOfState + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~EquationOfState.__init__ + ~EquationOfState.dippr + ~EquationOfState.epcsaft + ~EquationOfState.gc_pcsaft + ~EquationOfState.ideal_gas + ~EquationOfState.joback + ~EquationOfState.max_density + ~EquationOfState.multiparameter + ~EquationOfState.multiparameter_ideal_gas + ~EquationOfState.pcsaft + ~EquationOfState.peng_robinson + ~EquationOfState.pets + ~EquationOfState.python_ideal_gas + ~EquationOfState.python_residual + ~EquationOfState.saftvrmie + ~EquationOfState.saftvrqmie + ~EquationOfState.second_virial_coefficient + ~EquationOfState.second_virial_coefficient_temperature_derivative + ~EquationOfState.third_virial_coefficient + ~EquationOfState.third_virial_coefficient_temperature_derivative + ~EquationOfState.uvtheory + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~EquationOfState.parameters + + \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.saftvrmie.rst.txt b/_sources/api/generated/feos.EquationOfState.saftvrmie.rst.txt new file mode 100644 index 000000000..d574e672e --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.saftvrmie.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.saftvrmie +============================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.saftvrmie \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.saftvrqmie.rst.txt b/_sources/api/generated/feos.EquationOfState.saftvrqmie.rst.txt new file mode 100644 index 000000000..bb86437c0 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.saftvrqmie.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.saftvrqmie +=============================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.saftvrqmie \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.second_virial_coefficient.rst.txt b/_sources/api/generated/feos.EquationOfState.second_virial_coefficient.rst.txt new file mode 100644 index 000000000..10fc01f0f --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.second_virial_coefficient.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.second\_virial\_coefficient +================================================ + +.. currentmodule:: feos + +.. automethod:: EquationOfState.second_virial_coefficient \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.second_virial_coefficient_temperature_derivative.rst.txt b/_sources/api/generated/feos.EquationOfState.second_virial_coefficient_temperature_derivative.rst.txt new file mode 100644 index 000000000..2396e4ebe --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.second_virial_coefficient_temperature_derivative.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.second\_virial\_coefficient\_temperature\_derivative +========================================================================= + +.. currentmodule:: feos + +.. automethod:: EquationOfState.second_virial_coefficient_temperature_derivative \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.third_virial_coefficient.rst.txt b/_sources/api/generated/feos.EquationOfState.third_virial_coefficient.rst.txt new file mode 100644 index 000000000..02279cae5 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.third_virial_coefficient.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.third\_virial\_coefficient +=============================================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.third_virial_coefficient \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.third_virial_coefficient_temperature_derivative.rst.txt b/_sources/api/generated/feos.EquationOfState.third_virial_coefficient_temperature_derivative.rst.txt new file mode 100644 index 000000000..7e92d5d68 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.third_virial_coefficient_temperature_derivative.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.third\_virial\_coefficient\_temperature\_derivative +======================================================================== + +.. currentmodule:: feos + +.. automethod:: EquationOfState.third_virial_coefficient_temperature_derivative \ No newline at end of file diff --git a/_sources/api/generated/feos.EquationOfState.uvtheory.rst.txt b/_sources/api/generated/feos.EquationOfState.uvtheory.rst.txt new file mode 100644 index 000000000..a738f98f2 --- /dev/null +++ b/_sources/api/generated/feos.EquationOfState.uvtheory.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.EquationOfState.uvtheory +============================= + +.. currentmodule:: feos + +.. automethod:: EquationOfState.uvtheory \ No newline at end of file diff --git a/_sources/api/generated/feos.ExternalPotential.CustomLJ93.rst.txt b/_sources/api/generated/feos.ExternalPotential.CustomLJ93.rst.txt new file mode 100644 index 000000000..be64da009 --- /dev/null +++ b/_sources/api/generated/feos.ExternalPotential.CustomLJ93.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ExternalPotential.CustomLJ93 +================================= + +.. currentmodule:: feos + +.. automethod:: ExternalPotential.CustomLJ93 \ No newline at end of file diff --git a/_sources/api/generated/feos.ExternalPotential.CustomSteele.rst.txt b/_sources/api/generated/feos.ExternalPotential.CustomSteele.rst.txt new file mode 100644 index 000000000..9d45cda17 --- /dev/null +++ b/_sources/api/generated/feos.ExternalPotential.CustomSteele.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ExternalPotential.CustomSteele +=================================== + +.. currentmodule:: feos + +.. automethod:: ExternalPotential.CustomSteele \ No newline at end of file diff --git a/_sources/api/generated/feos.ExternalPotential.DoubleWell.rst.txt b/_sources/api/generated/feos.ExternalPotential.DoubleWell.rst.txt new file mode 100644 index 000000000..90b225c00 --- /dev/null +++ b/_sources/api/generated/feos.ExternalPotential.DoubleWell.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ExternalPotential.DoubleWell +================================= + +.. currentmodule:: feos + +.. automethod:: ExternalPotential.DoubleWell \ No newline at end of file diff --git a/_sources/api/generated/feos.ExternalPotential.FreeEnergyAveraged.rst.txt b/_sources/api/generated/feos.ExternalPotential.FreeEnergyAveraged.rst.txt new file mode 100644 index 000000000..581c7b664 --- /dev/null +++ b/_sources/api/generated/feos.ExternalPotential.FreeEnergyAveraged.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ExternalPotential.FreeEnergyAveraged +========================================= + +.. currentmodule:: feos + +.. automethod:: ExternalPotential.FreeEnergyAveraged \ No newline at end of file diff --git a/_sources/api/generated/feos.ExternalPotential.HardWall.rst.txt b/_sources/api/generated/feos.ExternalPotential.HardWall.rst.txt new file mode 100644 index 000000000..84389c1dc --- /dev/null +++ b/_sources/api/generated/feos.ExternalPotential.HardWall.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ExternalPotential.HardWall +=============================== + +.. currentmodule:: feos + +.. automethod:: ExternalPotential.HardWall \ No newline at end of file diff --git a/_sources/api/generated/feos.ExternalPotential.LJ93.rst.txt b/_sources/api/generated/feos.ExternalPotential.LJ93.rst.txt new file mode 100644 index 000000000..e941558c8 --- /dev/null +++ b/_sources/api/generated/feos.ExternalPotential.LJ93.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ExternalPotential.LJ93 +=========================== + +.. currentmodule:: feos + +.. automethod:: ExternalPotential.LJ93 \ No newline at end of file diff --git a/_sources/api/generated/feos.ExternalPotential.SimpleLJ93.rst.txt b/_sources/api/generated/feos.ExternalPotential.SimpleLJ93.rst.txt new file mode 100644 index 000000000..b7150ad6f --- /dev/null +++ b/_sources/api/generated/feos.ExternalPotential.SimpleLJ93.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ExternalPotential.SimpleLJ93 +================================= + +.. currentmodule:: feos + +.. automethod:: ExternalPotential.SimpleLJ93 \ No newline at end of file diff --git a/_sources/api/generated/feos.ExternalPotential.Steele.rst.txt b/_sources/api/generated/feos.ExternalPotential.Steele.rst.txt new file mode 100644 index 000000000..af042b975 --- /dev/null +++ b/_sources/api/generated/feos.ExternalPotential.Steele.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ExternalPotential.Steele +============================= + +.. currentmodule:: feos + +.. automethod:: ExternalPotential.Steele \ No newline at end of file diff --git a/_sources/api/generated/feos.ExternalPotential.__init__.rst.txt b/_sources/api/generated/feos.ExternalPotential.__init__.rst.txt new file mode 100644 index 000000000..ebd89aa92 --- /dev/null +++ b/_sources/api/generated/feos.ExternalPotential.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.ExternalPotential.\_\_init\_\_ +=================================== + +.. currentmodule:: feos + +.. automethod:: ExternalPotential.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.ExternalPotential.rst.txt b/_sources/api/generated/feos.ExternalPotential.rst.txt new file mode 100644 index 000000000..8332d162e --- /dev/null +++ b/_sources/api/generated/feos.ExternalPotential.rst.txt @@ -0,0 +1,35 @@ +.. raw:: html + +
+
+ +feos.ExternalPotential +====================== + +.. currentmodule:: feos + +.. autoclass:: ExternalPotential + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~ExternalPotential.CustomLJ93 + ~ExternalPotential.CustomSteele + ~ExternalPotential.DoubleWell + ~ExternalPotential.FreeEnergyAveraged + ~ExternalPotential.HardWall + ~ExternalPotential.LJ93 + ~ExternalPotential.SimpleLJ93 + ~ExternalPotential.Steele + ~ExternalPotential.__init__ + + + + + + \ No newline at end of file diff --git a/_sources/api/generated/feos.FMTVersion.__init__.rst.txt b/_sources/api/generated/feos.FMTVersion.__init__.rst.txt new file mode 100644 index 000000000..8ac5b75c2 --- /dev/null +++ b/_sources/api/generated/feos.FMTVersion.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.FMTVersion.\_\_init\_\_ +============================ + +.. currentmodule:: feos + +.. automethod:: FMTVersion.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.FMTVersion.rst.txt b/_sources/api/generated/feos.FMTVersion.rst.txt new file mode 100644 index 000000000..f28f5f79d --- /dev/null +++ b/_sources/api/generated/feos.FMTVersion.rst.txt @@ -0,0 +1,35 @@ +.. raw:: html + +
+
+ +feos.FMTVersion +=============== + +.. currentmodule:: feos + +.. autoclass:: FMTVersion + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~FMTVersion.__init__ + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~FMTVersion.AntiSymWhiteBear + ~FMTVersion.KierlikRosinberg + ~FMTVersion.WhiteBear + + \ No newline at end of file diff --git a/_sources/api/generated/feos.GcParameters.__init__.rst.txt b/_sources/api/generated/feos.GcParameters.__init__.rst.txt new file mode 100644 index 000000000..ece5ac96a --- /dev/null +++ b/_sources/api/generated/feos.GcParameters.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.GcParameters.\_\_init\_\_ +============================== + +.. currentmodule:: feos + +.. automethod:: GcParameters.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.GcParameters.from_json_segments.rst.txt b/_sources/api/generated/feos.GcParameters.from_json_segments.rst.txt new file mode 100644 index 000000000..4d713e6cb --- /dev/null +++ b/_sources/api/generated/feos.GcParameters.from_json_segments.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.GcParameters.from\_json\_segments +====================================== + +.. currentmodule:: feos + +.. automethod:: GcParameters.from_json_segments \ No newline at end of file diff --git a/_sources/api/generated/feos.GcParameters.from_json_smiles.rst.txt b/_sources/api/generated/feos.GcParameters.from_json_smiles.rst.txt new file mode 100644 index 000000000..91f717cc7 --- /dev/null +++ b/_sources/api/generated/feos.GcParameters.from_json_smiles.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.GcParameters.from\_json\_smiles +==================================== + +.. currentmodule:: feos + +.. automethod:: GcParameters.from_json_smiles \ No newline at end of file diff --git a/_sources/api/generated/feos.GcParameters.from_segments.rst.txt b/_sources/api/generated/feos.GcParameters.from_segments.rst.txt new file mode 100644 index 000000000..a0e7f5aca --- /dev/null +++ b/_sources/api/generated/feos.GcParameters.from_segments.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.GcParameters.from\_segments +================================ + +.. currentmodule:: feos + +.. automethod:: GcParameters.from_segments \ No newline at end of file diff --git a/_sources/api/generated/feos.GcParameters.from_smiles.rst.txt b/_sources/api/generated/feos.GcParameters.from_smiles.rst.txt new file mode 100644 index 000000000..28ca3e2b7 --- /dev/null +++ b/_sources/api/generated/feos.GcParameters.from_smiles.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.GcParameters.from\_smiles +============================== + +.. currentmodule:: feos + +.. automethod:: GcParameters.from_smiles \ No newline at end of file diff --git a/_sources/api/generated/feos.GcParameters.rst.txt b/_sources/api/generated/feos.GcParameters.rst.txt new file mode 100644 index 000000000..337d05fd9 --- /dev/null +++ b/_sources/api/generated/feos.GcParameters.rst.txt @@ -0,0 +1,31 @@ +.. raw:: html + +
+
+ +feos.GcParameters +================= + +.. currentmodule:: feos + +.. autoclass:: GcParameters + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~GcParameters.__init__ + ~GcParameters.from_json_segments + ~GcParameters.from_json_smiles + ~GcParameters.from_segments + ~GcParameters.from_smiles + + + + + + \ No newline at end of file diff --git a/_sources/api/generated/feos.Geometry.__init__.rst.txt b/_sources/api/generated/feos.Geometry.__init__.rst.txt new file mode 100644 index 000000000..15759f94a --- /dev/null +++ b/_sources/api/generated/feos.Geometry.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Geometry.\_\_init\_\_ +========================== + +.. currentmodule:: feos + +.. automethod:: Geometry.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.Geometry.rst.txt b/_sources/api/generated/feos.Geometry.rst.txt new file mode 100644 index 000000000..54729e111 --- /dev/null +++ b/_sources/api/generated/feos.Geometry.rst.txt @@ -0,0 +1,35 @@ +.. raw:: html + +
+
+ +feos.Geometry +============= + +.. currentmodule:: feos + +.. autoclass:: Geometry + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~Geometry.__init__ + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~Geometry.Cartesian + ~Geometry.Cylindrical + ~Geometry.Spherical + + \ No newline at end of file diff --git a/_sources/api/generated/feos.HelmholtzEnergyFunctional.__init__.rst.txt b/_sources/api/generated/feos.HelmholtzEnergyFunctional.__init__.rst.txt new file mode 100644 index 000000000..fa80efcd0 --- /dev/null +++ b/_sources/api/generated/feos.HelmholtzEnergyFunctional.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.HelmholtzEnergyFunctional.\_\_init\_\_ +=========================================== + +.. currentmodule:: feos + +.. automethod:: HelmholtzEnergyFunctional.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.HelmholtzEnergyFunctional.fmt.rst.txt b/_sources/api/generated/feos.HelmholtzEnergyFunctional.fmt.rst.txt new file mode 100644 index 000000000..180636926 --- /dev/null +++ b/_sources/api/generated/feos.HelmholtzEnergyFunctional.fmt.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.HelmholtzEnergyFunctional.fmt +================================== + +.. currentmodule:: feos + +.. automethod:: HelmholtzEnergyFunctional.fmt \ No newline at end of file diff --git a/_sources/api/generated/feos.HelmholtzEnergyFunctional.gc_pcsaft.rst.txt b/_sources/api/generated/feos.HelmholtzEnergyFunctional.gc_pcsaft.rst.txt new file mode 100644 index 000000000..6c776fb7b --- /dev/null +++ b/_sources/api/generated/feos.HelmholtzEnergyFunctional.gc_pcsaft.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.HelmholtzEnergyFunctional.gc\_pcsaft +========================================= + +.. currentmodule:: feos + +.. automethod:: HelmholtzEnergyFunctional.gc_pcsaft \ No newline at end of file diff --git a/_sources/api/generated/feos.HelmholtzEnergyFunctional.pcsaft.rst.txt b/_sources/api/generated/feos.HelmholtzEnergyFunctional.pcsaft.rst.txt new file mode 100644 index 000000000..d4a81a398 --- /dev/null +++ b/_sources/api/generated/feos.HelmholtzEnergyFunctional.pcsaft.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.HelmholtzEnergyFunctional.pcsaft +===================================== + +.. currentmodule:: feos + +.. automethod:: HelmholtzEnergyFunctional.pcsaft \ No newline at end of file diff --git a/_sources/api/generated/feos.HelmholtzEnergyFunctional.pets.rst.txt b/_sources/api/generated/feos.HelmholtzEnergyFunctional.pets.rst.txt new file mode 100644 index 000000000..dddae3af4 --- /dev/null +++ b/_sources/api/generated/feos.HelmholtzEnergyFunctional.pets.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.HelmholtzEnergyFunctional.pets +=================================== + +.. currentmodule:: feos + +.. automethod:: HelmholtzEnergyFunctional.pets \ No newline at end of file diff --git a/_sources/api/generated/feos.HelmholtzEnergyFunctional.rst.txt b/_sources/api/generated/feos.HelmholtzEnergyFunctional.rst.txt new file mode 100644 index 000000000..e56fb1ab8 --- /dev/null +++ b/_sources/api/generated/feos.HelmholtzEnergyFunctional.rst.txt @@ -0,0 +1,32 @@ +.. raw:: html + +
+
+ +feos.HelmholtzEnergyFunctional +============================== + +.. currentmodule:: feos + +.. autoclass:: HelmholtzEnergyFunctional + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~HelmholtzEnergyFunctional.__init__ + ~HelmholtzEnergyFunctional.fmt + ~HelmholtzEnergyFunctional.gc_pcsaft + ~HelmholtzEnergyFunctional.pcsaft + ~HelmholtzEnergyFunctional.pets + ~HelmholtzEnergyFunctional.saftvrqmie + + + + + + \ No newline at end of file diff --git a/_sources/api/generated/feos.HelmholtzEnergyFunctional.saftvrqmie.rst.txt b/_sources/api/generated/feos.HelmholtzEnergyFunctional.saftvrqmie.rst.txt new file mode 100644 index 000000000..ad327c437 --- /dev/null +++ b/_sources/api/generated/feos.HelmholtzEnergyFunctional.saftvrqmie.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.HelmholtzEnergyFunctional.saftvrqmie +========================================= + +.. currentmodule:: feos + +.. automethod:: HelmholtzEnergyFunctional.saftvrqmie \ No newline at end of file diff --git a/_sources/api/generated/feos.Identifier.__init__.rst.txt b/_sources/api/generated/feos.Identifier.__init__.rst.txt new file mode 100644 index 000000000..7b6a3d606 --- /dev/null +++ b/_sources/api/generated/feos.Identifier.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Identifier.\_\_init\_\_ +============================ + +.. currentmodule:: feos + +.. automethod:: Identifier.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.Identifier.rst.txt b/_sources/api/generated/feos.Identifier.rst.txt new file mode 100644 index 000000000..be0486089 --- /dev/null +++ b/_sources/api/generated/feos.Identifier.rst.txt @@ -0,0 +1,38 @@ +.. raw:: html + +
+
+ +feos.Identifier +=============== + +.. currentmodule:: feos + +.. autoclass:: Identifier + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~Identifier.__init__ + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~Identifier.cas + ~Identifier.formula + ~Identifier.inchi + ~Identifier.iupac_name + ~Identifier.name + ~Identifier.smiles + + \ No newline at end of file diff --git a/_sources/api/generated/feos.IdentifierOption.__init__.rst.txt b/_sources/api/generated/feos.IdentifierOption.__init__.rst.txt new file mode 100644 index 000000000..6ab144fa6 --- /dev/null +++ b/_sources/api/generated/feos.IdentifierOption.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.IdentifierOption.\_\_init\_\_ +================================== + +.. currentmodule:: feos + +.. automethod:: IdentifierOption.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.IdentifierOption.rst.txt b/_sources/api/generated/feos.IdentifierOption.rst.txt new file mode 100644 index 000000000..9350d9c66 --- /dev/null +++ b/_sources/api/generated/feos.IdentifierOption.rst.txt @@ -0,0 +1,38 @@ +.. raw:: html + +
+
+ +feos.IdentifierOption +===================== + +.. currentmodule:: feos + +.. autoclass:: IdentifierOption + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~IdentifierOption.__init__ + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~IdentifierOption.Cas + ~IdentifierOption.Formula + ~IdentifierOption.Inchi + ~IdentifierOption.IupacName + ~IdentifierOption.Name + ~IdentifierOption.Smiles + + \ No newline at end of file diff --git a/_sources/api/generated/feos.PairCorrelation.__init__.rst.txt b/_sources/api/generated/feos.PairCorrelation.__init__.rst.txt new file mode 100644 index 000000000..daaf3f65f --- /dev/null +++ b/_sources/api/generated/feos.PairCorrelation.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PairCorrelation.\_\_init\_\_ +================================= + +.. currentmodule:: feos + +.. automethod:: PairCorrelation.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.PairCorrelation.entropy.rst.txt b/_sources/api/generated/feos.PairCorrelation.entropy.rst.txt new file mode 100644 index 000000000..de25018a8 --- /dev/null +++ b/_sources/api/generated/feos.PairCorrelation.entropy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PairCorrelation.entropy +============================ + +.. currentmodule:: feos + +.. automethod:: PairCorrelation.entropy \ No newline at end of file diff --git a/_sources/api/generated/feos.PairCorrelation.entropy_density.rst.txt b/_sources/api/generated/feos.PairCorrelation.entropy_density.rst.txt new file mode 100644 index 000000000..6d81bd3f1 --- /dev/null +++ b/_sources/api/generated/feos.PairCorrelation.entropy_density.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PairCorrelation.entropy\_density +===================================== + +.. currentmodule:: feos + +.. automethod:: PairCorrelation.entropy_density \ No newline at end of file diff --git a/_sources/api/generated/feos.PairCorrelation.internal_energy.rst.txt b/_sources/api/generated/feos.PairCorrelation.internal_energy.rst.txt new file mode 100644 index 000000000..eac5eadda --- /dev/null +++ b/_sources/api/generated/feos.PairCorrelation.internal_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PairCorrelation.internal\_energy +===================================== + +.. currentmodule:: feos + +.. automethod:: PairCorrelation.internal_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.PairCorrelation.residual.rst.txt b/_sources/api/generated/feos.PairCorrelation.residual.rst.txt new file mode 100644 index 000000000..209ba67d4 --- /dev/null +++ b/_sources/api/generated/feos.PairCorrelation.residual.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PairCorrelation.residual +============================= + +.. currentmodule:: feos + +.. automethod:: PairCorrelation.residual \ No newline at end of file diff --git a/_sources/api/generated/feos.PairCorrelation.rst.txt b/_sources/api/generated/feos.PairCorrelation.rst.txt new file mode 100644 index 000000000..57232f1a3 --- /dev/null +++ b/_sources/api/generated/feos.PairCorrelation.rst.txt @@ -0,0 +1,57 @@ +.. raw:: html + +
+
+ +feos.PairCorrelation +==================== + +.. currentmodule:: feos + +.. autoclass:: PairCorrelation + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~PairCorrelation.__init__ + ~PairCorrelation.entropy + ~PairCorrelation.entropy_density + ~PairCorrelation.internal_energy + ~PairCorrelation.residual + ~PairCorrelation.solve + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~PairCorrelation.bulk + ~PairCorrelation.density + ~PairCorrelation.dn_dmu + ~PairCorrelation.dn_dp + ~PairCorrelation.dn_dt + ~PairCorrelation.drho_dmu + ~PairCorrelation.drho_dp + ~PairCorrelation.drho_dt + ~PairCorrelation.external_potential + ~PairCorrelation.functional_derivative + ~PairCorrelation.grand_potential_density + ~PairCorrelation.moles + ~PairCorrelation.pair_correlation_function + ~PairCorrelation.r + ~PairCorrelation.self_solvation_free_energy + ~PairCorrelation.solver_log + ~PairCorrelation.structure_factor + ~PairCorrelation.temperature + ~PairCorrelation.total_moles + ~PairCorrelation.weighted_densities + + \ No newline at end of file diff --git a/_sources/api/generated/feos.PairCorrelation.solve.rst.txt b/_sources/api/generated/feos.PairCorrelation.solve.rst.txt new file mode 100644 index 000000000..957f9de20 --- /dev/null +++ b/_sources/api/generated/feos.PairCorrelation.solve.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PairCorrelation.solve +========================== + +.. currentmodule:: feos + +.. automethod:: PairCorrelation.solve \ No newline at end of file diff --git a/_sources/api/generated/feos.Parameters.__init__.rst.txt b/_sources/api/generated/feos.Parameters.__init__.rst.txt new file mode 100644 index 000000000..e33ede03a --- /dev/null +++ b/_sources/api/generated/feos.Parameters.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Parameters.\_\_init\_\_ +============================ + +.. currentmodule:: feos + +.. automethod:: Parameters.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.Parameters.from_json.rst.txt b/_sources/api/generated/feos.Parameters.from_json.rst.txt new file mode 100644 index 000000000..b999fae79 --- /dev/null +++ b/_sources/api/generated/feos.Parameters.from_json.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Parameters.from\_json +========================== + +.. currentmodule:: feos + +.. automethod:: Parameters.from_json \ No newline at end of file diff --git a/_sources/api/generated/feos.Parameters.from_multiple_json.rst.txt b/_sources/api/generated/feos.Parameters.from_multiple_json.rst.txt new file mode 100644 index 000000000..fc418ee8d --- /dev/null +++ b/_sources/api/generated/feos.Parameters.from_multiple_json.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Parameters.from\_multiple\_json +==================================== + +.. currentmodule:: feos + +.. automethod:: Parameters.from_multiple_json \ No newline at end of file diff --git a/_sources/api/generated/feos.Parameters.from_records.rst.txt b/_sources/api/generated/feos.Parameters.from_records.rst.txt new file mode 100644 index 000000000..2feca28ee --- /dev/null +++ b/_sources/api/generated/feos.Parameters.from_records.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Parameters.from\_records +============================= + +.. currentmodule:: feos + +.. automethod:: Parameters.from_records \ No newline at end of file diff --git a/_sources/api/generated/feos.Parameters.new_binary.rst.txt b/_sources/api/generated/feos.Parameters.new_binary.rst.txt new file mode 100644 index 000000000..8c8f88668 --- /dev/null +++ b/_sources/api/generated/feos.Parameters.new_binary.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Parameters.new\_binary +=========================== + +.. currentmodule:: feos + +.. automethod:: Parameters.new_binary \ No newline at end of file diff --git a/_sources/api/generated/feos.Parameters.new_pure.rst.txt b/_sources/api/generated/feos.Parameters.new_pure.rst.txt new file mode 100644 index 000000000..9f9496175 --- /dev/null +++ b/_sources/api/generated/feos.Parameters.new_pure.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Parameters.new\_pure +========================= + +.. currentmodule:: feos + +.. automethod:: Parameters.new_pure \ No newline at end of file diff --git a/_sources/api/generated/feos.Parameters.rst.txt b/_sources/api/generated/feos.Parameters.rst.txt new file mode 100644 index 000000000..cd88265be --- /dev/null +++ b/_sources/api/generated/feos.Parameters.rst.txt @@ -0,0 +1,39 @@ +.. raw:: html + +
+
+ +feos.Parameters +=============== + +.. currentmodule:: feos + +.. autoclass:: Parameters + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~Parameters.__init__ + ~Parameters.from_json + ~Parameters.from_multiple_json + ~Parameters.from_records + ~Parameters.new_binary + ~Parameters.new_pure + ~Parameters.to_json_str + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~Parameters.pure_records + + \ No newline at end of file diff --git a/_sources/api/generated/feos.Parameters.to_json_str.rst.txt b/_sources/api/generated/feos.Parameters.to_json_str.rst.txt new file mode 100644 index 000000000..2b91b381e --- /dev/null +++ b/_sources/api/generated/feos.Parameters.to_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Parameters.to\_json\_str +============================= + +.. currentmodule:: feos + +.. automethod:: Parameters.to_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.__init__.rst.txt b/_sources/api/generated/feos.PhaseDiagram.__init__.rst.txt new file mode 100644 index 000000000..149a07cfa --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram.\_\_init\_\_ +============================== + +.. currentmodule:: feos + +.. automethod:: PhaseDiagram.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.binary_vle.rst.txt b/_sources/api/generated/feos.PhaseDiagram.binary_vle.rst.txt new file mode 100644 index 000000000..3aef17255 --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.binary_vle.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram.binary\_vle +============================= + +.. currentmodule:: feos + +.. automethod:: PhaseDiagram.binary_vle \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.binary_vlle.rst.txt b/_sources/api/generated/feos.PhaseDiagram.binary_vlle.rst.txt new file mode 100644 index 000000000..6a870f936 --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.binary_vlle.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram.binary\_vlle +============================== + +.. currentmodule:: feos + +.. automethod:: PhaseDiagram.binary_vlle \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.bubble_point_line.rst.txt b/_sources/api/generated/feos.PhaseDiagram.bubble_point_line.rst.txt new file mode 100644 index 000000000..f6f33fdd5 --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.bubble_point_line.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram.bubble\_point\_line +===================================== + +.. currentmodule:: feos + +.. automethod:: PhaseDiagram.bubble_point_line \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.dew_point_line.rst.txt b/_sources/api/generated/feos.PhaseDiagram.dew_point_line.rst.txt new file mode 100644 index 000000000..e2ae5beee --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.dew_point_line.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram.dew\_point\_line +================================== + +.. currentmodule:: feos + +.. automethod:: PhaseDiagram.dew_point_line \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.lle.rst.txt b/_sources/api/generated/feos.PhaseDiagram.lle.rst.txt new file mode 100644 index 000000000..0879f598d --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.lle.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram.lle +===================== + +.. currentmodule:: feos + +.. automethod:: PhaseDiagram.lle \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.par_pure.rst.txt b/_sources/api/generated/feos.PhaseDiagram.par_pure.rst.txt new file mode 100644 index 000000000..522439957 --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.par_pure.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram.par\_pure +=========================== + +.. currentmodule:: feos + +.. automethod:: PhaseDiagram.par_pure \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.pure.rst.txt b/_sources/api/generated/feos.PhaseDiagram.pure.rst.txt new file mode 100644 index 000000000..d95f0b0f9 --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.pure.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram.pure +====================== + +.. currentmodule:: feos + +.. automethod:: PhaseDiagram.pure \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.rst.txt b/_sources/api/generated/feos.PhaseDiagram.rst.txt new file mode 100644 index 000000000..bc0ecea41 --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.rst.txt @@ -0,0 +1,44 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram +================= + +.. currentmodule:: feos + +.. autoclass:: PhaseDiagram + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~PhaseDiagram.__init__ + ~PhaseDiagram.binary_vle + ~PhaseDiagram.binary_vlle + ~PhaseDiagram.bubble_point_line + ~PhaseDiagram.dew_point_line + ~PhaseDiagram.lle + ~PhaseDiagram.par_pure + ~PhaseDiagram.pure + ~PhaseDiagram.spinodal + ~PhaseDiagram.to_dict + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~PhaseDiagram.liquid + ~PhaseDiagram.states + ~PhaseDiagram.vapor + + \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.spinodal.rst.txt b/_sources/api/generated/feos.PhaseDiagram.spinodal.rst.txt new file mode 100644 index 000000000..0f4452406 --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.spinodal.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram.spinodal +========================== + +.. currentmodule:: feos + +.. automethod:: PhaseDiagram.spinodal \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseDiagram.to_dict.rst.txt b/_sources/api/generated/feos.PhaseDiagram.to_dict.rst.txt new file mode 100644 index 000000000..23be3307a --- /dev/null +++ b/_sources/api/generated/feos.PhaseDiagram.to_dict.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseDiagram.to\_dict +========================== + +.. currentmodule:: feos + +.. automethod:: PhaseDiagram.to_dict \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseEquilibrium.__init__.rst.txt b/_sources/api/generated/feos.PhaseEquilibrium.__init__.rst.txt new file mode 100644 index 000000000..58381a87e --- /dev/null +++ b/_sources/api/generated/feos.PhaseEquilibrium.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseEquilibrium.\_\_init\_\_ +================================== + +.. currentmodule:: feos + +.. automethod:: PhaseEquilibrium.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseEquilibrium.boiling_temperature.rst.txt b/_sources/api/generated/feos.PhaseEquilibrium.boiling_temperature.rst.txt new file mode 100644 index 000000000..77d1be7d7 --- /dev/null +++ b/_sources/api/generated/feos.PhaseEquilibrium.boiling_temperature.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseEquilibrium.boiling\_temperature +========================================== + +.. currentmodule:: feos + +.. automethod:: PhaseEquilibrium.boiling_temperature \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseEquilibrium.bubble_point.rst.txt b/_sources/api/generated/feos.PhaseEquilibrium.bubble_point.rst.txt new file mode 100644 index 000000000..a9e4db0b6 --- /dev/null +++ b/_sources/api/generated/feos.PhaseEquilibrium.bubble_point.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseEquilibrium.bubble\_point +=================================== + +.. currentmodule:: feos + +.. automethod:: PhaseEquilibrium.bubble_point \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseEquilibrium.dew_point.rst.txt b/_sources/api/generated/feos.PhaseEquilibrium.dew_point.rst.txt new file mode 100644 index 000000000..074d7f0f1 --- /dev/null +++ b/_sources/api/generated/feos.PhaseEquilibrium.dew_point.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseEquilibrium.dew\_point +================================ + +.. currentmodule:: feos + +.. automethod:: PhaseEquilibrium.dew_point \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseEquilibrium.heteroazeotrope.rst.txt b/_sources/api/generated/feos.PhaseEquilibrium.heteroazeotrope.rst.txt new file mode 100644 index 000000000..bfffc20ea --- /dev/null +++ b/_sources/api/generated/feos.PhaseEquilibrium.heteroazeotrope.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseEquilibrium.heteroazeotrope +===================================== + +.. currentmodule:: feos + +.. automethod:: PhaseEquilibrium.heteroazeotrope \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseEquilibrium.pure.rst.txt b/_sources/api/generated/feos.PhaseEquilibrium.pure.rst.txt new file mode 100644 index 000000000..1bba0b835 --- /dev/null +++ b/_sources/api/generated/feos.PhaseEquilibrium.pure.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseEquilibrium.pure +========================== + +.. currentmodule:: feos + +.. automethod:: PhaseEquilibrium.pure \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseEquilibrium.rst.txt b/_sources/api/generated/feos.PhaseEquilibrium.rst.txt new file mode 100644 index 000000000..609742b72 --- /dev/null +++ b/_sources/api/generated/feos.PhaseEquilibrium.rst.txt @@ -0,0 +1,42 @@ +.. raw:: html + +
+
+ +feos.PhaseEquilibrium +===================== + +.. currentmodule:: feos + +.. autoclass:: PhaseEquilibrium + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~PhaseEquilibrium.__init__ + ~PhaseEquilibrium.boiling_temperature + ~PhaseEquilibrium.bubble_point + ~PhaseEquilibrium.dew_point + ~PhaseEquilibrium.heteroazeotrope + ~PhaseEquilibrium.pure + ~PhaseEquilibrium.tp_flash + ~PhaseEquilibrium.vapor_pressure + ~PhaseEquilibrium.vle_pure_comps + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~PhaseEquilibrium.liquid + ~PhaseEquilibrium.vapor + + \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseEquilibrium.tp_flash.rst.txt b/_sources/api/generated/feos.PhaseEquilibrium.tp_flash.rst.txt new file mode 100644 index 000000000..d575d21ae --- /dev/null +++ b/_sources/api/generated/feos.PhaseEquilibrium.tp_flash.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseEquilibrium.tp\_flash +=============================== + +.. currentmodule:: feos + +.. automethod:: PhaseEquilibrium.tp_flash \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseEquilibrium.vapor_pressure.rst.txt b/_sources/api/generated/feos.PhaseEquilibrium.vapor_pressure.rst.txt new file mode 100644 index 000000000..e1e0f710a --- /dev/null +++ b/_sources/api/generated/feos.PhaseEquilibrium.vapor_pressure.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseEquilibrium.vapor\_pressure +===================================== + +.. currentmodule:: feos + +.. automethod:: PhaseEquilibrium.vapor_pressure \ No newline at end of file diff --git a/_sources/api/generated/feos.PhaseEquilibrium.vle_pure_comps.rst.txt b/_sources/api/generated/feos.PhaseEquilibrium.vle_pure_comps.rst.txt new file mode 100644 index 000000000..99475806e --- /dev/null +++ b/_sources/api/generated/feos.PhaseEquilibrium.vle_pure_comps.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PhaseEquilibrium.vle\_pure\_comps +====================================== + +.. currentmodule:: feos + +.. automethod:: PhaseEquilibrium.vle_pure_comps \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.__init__.rst.txt b/_sources/api/generated/feos.PlanarInterface.__init__.rst.txt new file mode 100644 index 000000000..3ffa97497 --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.\_\_init\_\_ +================================= + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.entropy.rst.txt b/_sources/api/generated/feos.PlanarInterface.entropy.rst.txt new file mode 100644 index 000000000..80ce25454 --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.entropy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.entropy +============================ + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.entropy \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.entropy_density.rst.txt b/_sources/api/generated/feos.PlanarInterface.entropy_density.rst.txt new file mode 100644 index 000000000..4f6a9c388 --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.entropy_density.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.entropy\_density +===================================== + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.entropy_density \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.from_density_profile.rst.txt b/_sources/api/generated/feos.PlanarInterface.from_density_profile.rst.txt new file mode 100644 index 000000000..987d49e95 --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.from_density_profile.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.from\_density\_profile +=========================================== + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.from_density_profile \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.from_pdgt.rst.txt b/_sources/api/generated/feos.PlanarInterface.from_pdgt.rst.txt new file mode 100644 index 000000000..fcaf19045 --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.from_pdgt.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.from\_pdgt +=============================== + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.from_pdgt \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.from_tanh.rst.txt b/_sources/api/generated/feos.PlanarInterface.from_tanh.rst.txt new file mode 100644 index 000000000..5ebfecab3 --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.from_tanh.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.from\_tanh +=============================== + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.from_tanh \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.interfacial_enrichment.rst.txt b/_sources/api/generated/feos.PlanarInterface.interfacial_enrichment.rst.txt new file mode 100644 index 000000000..29fe57d63 --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.interfacial_enrichment.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.interfacial\_enrichment +============================================ + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.interfacial_enrichment \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.interfacial_thickness.rst.txt b/_sources/api/generated/feos.PlanarInterface.interfacial_thickness.rst.txt new file mode 100644 index 000000000..bcdd431a6 --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.interfacial_thickness.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.interfacial\_thickness +=========================================== + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.interfacial_thickness \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.internal_energy.rst.txt b/_sources/api/generated/feos.PlanarInterface.internal_energy.rst.txt new file mode 100644 index 000000000..6ae9f13fc --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.internal_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.internal\_energy +===================================== + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.internal_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.relative_adsorption.rst.txt b/_sources/api/generated/feos.PlanarInterface.relative_adsorption.rst.txt new file mode 100644 index 000000000..369ae93fd --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.relative_adsorption.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.relative\_adsorption +========================================= + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.relative_adsorption \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.residual.rst.txt b/_sources/api/generated/feos.PlanarInterface.residual.rst.txt new file mode 100644 index 000000000..11e63f4bd --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.residual.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.residual +============================= + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.residual \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.rst.txt b/_sources/api/generated/feos.PlanarInterface.rst.txt new file mode 100644 index 000000000..ab8bec7af --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.rst.txt @@ -0,0 +1,63 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface +==================== + +.. currentmodule:: feos + +.. autoclass:: PlanarInterface + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~PlanarInterface.__init__ + ~PlanarInterface.entropy + ~PlanarInterface.entropy_density + ~PlanarInterface.from_density_profile + ~PlanarInterface.from_pdgt + ~PlanarInterface.from_tanh + ~PlanarInterface.interfacial_enrichment + ~PlanarInterface.interfacial_thickness + ~PlanarInterface.internal_energy + ~PlanarInterface.relative_adsorption + ~PlanarInterface.residual + ~PlanarInterface.solve + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~PlanarInterface.bulk + ~PlanarInterface.density + ~PlanarInterface.dn_dmu + ~PlanarInterface.dn_dp + ~PlanarInterface.dn_dt + ~PlanarInterface.drho_dmu + ~PlanarInterface.drho_dp + ~PlanarInterface.drho_dt + ~PlanarInterface.equimolar_radius + ~PlanarInterface.external_potential + ~PlanarInterface.functional_derivative + ~PlanarInterface.grand_potential_density + ~PlanarInterface.moles + ~PlanarInterface.solver_log + ~PlanarInterface.surface_tension + ~PlanarInterface.temperature + ~PlanarInterface.total_moles + ~PlanarInterface.vle + ~PlanarInterface.weighted_densities + ~PlanarInterface.z + + \ No newline at end of file diff --git a/_sources/api/generated/feos.PlanarInterface.solve.rst.txt b/_sources/api/generated/feos.PlanarInterface.solve.rst.txt new file mode 100644 index 000000000..622ebd850 --- /dev/null +++ b/_sources/api/generated/feos.PlanarInterface.solve.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PlanarInterface.solve +========================== + +.. currentmodule:: feos + +.. automethod:: PlanarInterface.solve \ No newline at end of file diff --git a/_sources/api/generated/feos.Pore1D.__init__.rst.txt b/_sources/api/generated/feos.Pore1D.__init__.rst.txt new file mode 100644 index 000000000..cde93701f --- /dev/null +++ b/_sources/api/generated/feos.Pore1D.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Pore1D.\_\_init\_\_ +======================== + +.. currentmodule:: feos + +.. automethod:: Pore1D.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.Pore1D.initialize.rst.txt b/_sources/api/generated/feos.Pore1D.initialize.rst.txt new file mode 100644 index 000000000..874500ba5 --- /dev/null +++ b/_sources/api/generated/feos.Pore1D.initialize.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Pore1D.initialize +====================== + +.. currentmodule:: feos + +.. automethod:: Pore1D.initialize \ No newline at end of file diff --git a/_sources/api/generated/feos.Pore1D.rst.txt b/_sources/api/generated/feos.Pore1D.rst.txt new file mode 100644 index 000000000..74a49aa2f --- /dev/null +++ b/_sources/api/generated/feos.Pore1D.rst.txt @@ -0,0 +1,39 @@ +.. raw:: html + +
+
+ +feos.Pore1D +=========== + +.. currentmodule:: feos + +.. autoclass:: Pore1D + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~Pore1D.__init__ + ~Pore1D.initialize + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~Pore1D.geometry + ~Pore1D.n_grid + ~Pore1D.pore_size + ~Pore1D.pore_volume + ~Pore1D.potential + ~Pore1D.potential_cutoff + + \ No newline at end of file diff --git a/_sources/api/generated/feos.Pore2D.__init__.rst.txt b/_sources/api/generated/feos.Pore2D.__init__.rst.txt new file mode 100644 index 000000000..f4d6db804 --- /dev/null +++ b/_sources/api/generated/feos.Pore2D.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Pore2D.\_\_init\_\_ +======================== + +.. currentmodule:: feos + +.. automethod:: Pore2D.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.Pore2D.initialize.rst.txt b/_sources/api/generated/feos.Pore2D.initialize.rst.txt new file mode 100644 index 000000000..9904dc3af --- /dev/null +++ b/_sources/api/generated/feos.Pore2D.initialize.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Pore2D.initialize +====================== + +.. currentmodule:: feos + +.. automethod:: Pore2D.initialize \ No newline at end of file diff --git a/_sources/api/generated/feos.Pore2D.rst.txt b/_sources/api/generated/feos.Pore2D.rst.txt new file mode 100644 index 000000000..d84b93ab8 --- /dev/null +++ b/_sources/api/generated/feos.Pore2D.rst.txt @@ -0,0 +1,34 @@ +.. raw:: html + +
+
+ +feos.Pore2D +=========== + +.. currentmodule:: feos + +.. autoclass:: Pore2D + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~Pore2D.__init__ + ~Pore2D.initialize + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~Pore2D.pore_volume + + \ No newline at end of file diff --git a/_sources/api/generated/feos.Pore3D.__init__.rst.txt b/_sources/api/generated/feos.Pore3D.__init__.rst.txt new file mode 100644 index 000000000..9a53cd84b --- /dev/null +++ b/_sources/api/generated/feos.Pore3D.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Pore3D.\_\_init\_\_ +======================== + +.. currentmodule:: feos + +.. automethod:: Pore3D.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.Pore3D.initialize.rst.txt b/_sources/api/generated/feos.Pore3D.initialize.rst.txt new file mode 100644 index 000000000..432a738ee --- /dev/null +++ b/_sources/api/generated/feos.Pore3D.initialize.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Pore3D.initialize +====================== + +.. currentmodule:: feos + +.. automethod:: Pore3D.initialize \ No newline at end of file diff --git a/_sources/api/generated/feos.Pore3D.rst.txt b/_sources/api/generated/feos.Pore3D.rst.txt new file mode 100644 index 000000000..d84480fd5 --- /dev/null +++ b/_sources/api/generated/feos.Pore3D.rst.txt @@ -0,0 +1,34 @@ +.. raw:: html + +
+
+ +feos.Pore3D +=========== + +.. currentmodule:: feos + +.. autoclass:: Pore3D + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~Pore3D.__init__ + ~Pore3D.initialize + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~Pore3D.pore_volume + + \ No newline at end of file diff --git a/_sources/api/generated/feos.PureRecord.__init__.rst.txt b/_sources/api/generated/feos.PureRecord.__init__.rst.txt new file mode 100644 index 000000000..441295c76 --- /dev/null +++ b/_sources/api/generated/feos.PureRecord.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PureRecord.\_\_init\_\_ +============================ + +.. currentmodule:: feos + +.. automethod:: PureRecord.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.PureRecord.from_json.rst.txt b/_sources/api/generated/feos.PureRecord.from_json.rst.txt new file mode 100644 index 000000000..bb7dcc0e6 --- /dev/null +++ b/_sources/api/generated/feos.PureRecord.from_json.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PureRecord.from\_json +========================== + +.. currentmodule:: feos + +.. automethod:: PureRecord.from_json \ No newline at end of file diff --git a/_sources/api/generated/feos.PureRecord.from_json_str.rst.txt b/_sources/api/generated/feos.PureRecord.from_json_str.rst.txt new file mode 100644 index 000000000..54921fce1 --- /dev/null +++ b/_sources/api/generated/feos.PureRecord.from_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PureRecord.from\_json\_str +=============================== + +.. currentmodule:: feos + +.. automethod:: PureRecord.from_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.PureRecord.rst.txt b/_sources/api/generated/feos.PureRecord.rst.txt new file mode 100644 index 000000000..2abda705b --- /dev/null +++ b/_sources/api/generated/feos.PureRecord.rst.txt @@ -0,0 +1,40 @@ +.. raw:: html + +
+
+ +feos.PureRecord +=============== + +.. currentmodule:: feos + +.. autoclass:: PureRecord + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~PureRecord.__init__ + ~PureRecord.from_json + ~PureRecord.from_json_str + ~PureRecord.to_dict + ~PureRecord.to_json_str + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~PureRecord.association_sites + ~PureRecord.identifier + ~PureRecord.model_record + ~PureRecord.molarweight + + \ No newline at end of file diff --git a/_sources/api/generated/feos.PureRecord.to_dict.rst.txt b/_sources/api/generated/feos.PureRecord.to_dict.rst.txt new file mode 100644 index 000000000..c4f34b74c --- /dev/null +++ b/_sources/api/generated/feos.PureRecord.to_dict.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PureRecord.to\_dict +======================== + +.. currentmodule:: feos + +.. automethod:: PureRecord.to_dict \ No newline at end of file diff --git a/_sources/api/generated/feos.PureRecord.to_json_str.rst.txt b/_sources/api/generated/feos.PureRecord.to_json_str.rst.txt new file mode 100644 index 000000000..a9c3c8c49 --- /dev/null +++ b/_sources/api/generated/feos.PureRecord.to_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.PureRecord.to\_json\_str +============================= + +.. currentmodule:: feos + +.. automethod:: PureRecord.to_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.SegmentRecord.__init__.rst.txt b/_sources/api/generated/feos.SegmentRecord.__init__.rst.txt new file mode 100644 index 000000000..7a6b9bd77 --- /dev/null +++ b/_sources/api/generated/feos.SegmentRecord.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SegmentRecord.\_\_init\_\_ +=============================== + +.. currentmodule:: feos + +.. automethod:: SegmentRecord.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.SegmentRecord.from_json.rst.txt b/_sources/api/generated/feos.SegmentRecord.from_json.rst.txt new file mode 100644 index 000000000..b19b56ffb --- /dev/null +++ b/_sources/api/generated/feos.SegmentRecord.from_json.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SegmentRecord.from\_json +============================= + +.. currentmodule:: feos + +.. automethod:: SegmentRecord.from_json \ No newline at end of file diff --git a/_sources/api/generated/feos.SegmentRecord.from_json_str.rst.txt b/_sources/api/generated/feos.SegmentRecord.from_json_str.rst.txt new file mode 100644 index 000000000..8ae783047 --- /dev/null +++ b/_sources/api/generated/feos.SegmentRecord.from_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SegmentRecord.from\_json\_str +================================== + +.. currentmodule:: feos + +.. automethod:: SegmentRecord.from_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.SegmentRecord.rst.txt b/_sources/api/generated/feos.SegmentRecord.rst.txt new file mode 100644 index 000000000..74ff05a42 --- /dev/null +++ b/_sources/api/generated/feos.SegmentRecord.rst.txt @@ -0,0 +1,40 @@ +.. raw:: html + +
+
+ +feos.SegmentRecord +================== + +.. currentmodule:: feos + +.. autoclass:: SegmentRecord + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~SegmentRecord.__init__ + ~SegmentRecord.from_json + ~SegmentRecord.from_json_str + ~SegmentRecord.to_dict + ~SegmentRecord.to_json_str + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~SegmentRecord.association_sites + ~SegmentRecord.identifier + ~SegmentRecord.model_record + ~SegmentRecord.molarweight + + \ No newline at end of file diff --git a/_sources/api/generated/feos.SegmentRecord.to_dict.rst.txt b/_sources/api/generated/feos.SegmentRecord.to_dict.rst.txt new file mode 100644 index 000000000..2f2857cdb --- /dev/null +++ b/_sources/api/generated/feos.SegmentRecord.to_dict.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SegmentRecord.to\_dict +=========================== + +.. currentmodule:: feos + +.. automethod:: SegmentRecord.to_dict \ No newline at end of file diff --git a/_sources/api/generated/feos.SegmentRecord.to_json_str.rst.txt b/_sources/api/generated/feos.SegmentRecord.to_json_str.rst.txt new file mode 100644 index 000000000..50f773401 --- /dev/null +++ b/_sources/api/generated/feos.SegmentRecord.to_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SegmentRecord.to\_json\_str +================================ + +.. currentmodule:: feos + +.. automethod:: SegmentRecord.to_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.SmartsRecord.__init__.rst.txt b/_sources/api/generated/feos.SmartsRecord.__init__.rst.txt new file mode 100644 index 000000000..99f817249 --- /dev/null +++ b/_sources/api/generated/feos.SmartsRecord.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SmartsRecord.\_\_init\_\_ +============================== + +.. currentmodule:: feos + +.. automethod:: SmartsRecord.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.SmartsRecord.from_json.rst.txt b/_sources/api/generated/feos.SmartsRecord.from_json.rst.txt new file mode 100644 index 000000000..d0101dd59 --- /dev/null +++ b/_sources/api/generated/feos.SmartsRecord.from_json.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SmartsRecord.from\_json +============================ + +.. currentmodule:: feos + +.. automethod:: SmartsRecord.from_json \ No newline at end of file diff --git a/_sources/api/generated/feos.SmartsRecord.from_json_str.rst.txt b/_sources/api/generated/feos.SmartsRecord.from_json_str.rst.txt new file mode 100644 index 000000000..55debda90 --- /dev/null +++ b/_sources/api/generated/feos.SmartsRecord.from_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SmartsRecord.from\_json\_str +================================= + +.. currentmodule:: feos + +.. automethod:: SmartsRecord.from_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.SmartsRecord.rst.txt b/_sources/api/generated/feos.SmartsRecord.rst.txt new file mode 100644 index 000000000..75b3b60ee --- /dev/null +++ b/_sources/api/generated/feos.SmartsRecord.rst.txt @@ -0,0 +1,30 @@ +.. raw:: html + +
+
+ +feos.SmartsRecord +================= + +.. currentmodule:: feos + +.. autoclass:: SmartsRecord + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~SmartsRecord.__init__ + ~SmartsRecord.from_json + ~SmartsRecord.from_json_str + ~SmartsRecord.to_json_str + + + + + + \ No newline at end of file diff --git a/_sources/api/generated/feos.SmartsRecord.to_json_str.rst.txt b/_sources/api/generated/feos.SmartsRecord.to_json_str.rst.txt new file mode 100644 index 000000000..f23ccb1e1 --- /dev/null +++ b/_sources/api/generated/feos.SmartsRecord.to_json_str.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SmartsRecord.to\_json\_str +=============================== + +.. currentmodule:: feos + +.. automethod:: SmartsRecord.to_json_str \ No newline at end of file diff --git a/_sources/api/generated/feos.SolvationProfile.__init__.rst.txt b/_sources/api/generated/feos.SolvationProfile.__init__.rst.txt new file mode 100644 index 000000000..83a71533b --- /dev/null +++ b/_sources/api/generated/feos.SolvationProfile.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SolvationProfile.\_\_init\_\_ +================================== + +.. currentmodule:: feos + +.. automethod:: SolvationProfile.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.SolvationProfile.entropy.rst.txt b/_sources/api/generated/feos.SolvationProfile.entropy.rst.txt new file mode 100644 index 000000000..9b589f371 --- /dev/null +++ b/_sources/api/generated/feos.SolvationProfile.entropy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SolvationProfile.entropy +============================= + +.. currentmodule:: feos + +.. automethod:: SolvationProfile.entropy \ No newline at end of file diff --git a/_sources/api/generated/feos.SolvationProfile.entropy_density.rst.txt b/_sources/api/generated/feos.SolvationProfile.entropy_density.rst.txt new file mode 100644 index 000000000..bb31f11b7 --- /dev/null +++ b/_sources/api/generated/feos.SolvationProfile.entropy_density.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SolvationProfile.entropy\_density +====================================== + +.. currentmodule:: feos + +.. automethod:: SolvationProfile.entropy_density \ No newline at end of file diff --git a/_sources/api/generated/feos.SolvationProfile.internal_energy.rst.txt b/_sources/api/generated/feos.SolvationProfile.internal_energy.rst.txt new file mode 100644 index 000000000..33e624ced --- /dev/null +++ b/_sources/api/generated/feos.SolvationProfile.internal_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SolvationProfile.internal\_energy +====================================== + +.. currentmodule:: feos + +.. automethod:: SolvationProfile.internal_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.SolvationProfile.residual.rst.txt b/_sources/api/generated/feos.SolvationProfile.residual.rst.txt new file mode 100644 index 000000000..90c0f5199 --- /dev/null +++ b/_sources/api/generated/feos.SolvationProfile.residual.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SolvationProfile.residual +============================== + +.. currentmodule:: feos + +.. automethod:: SolvationProfile.residual \ No newline at end of file diff --git a/_sources/api/generated/feos.SolvationProfile.rst.txt b/_sources/api/generated/feos.SolvationProfile.rst.txt new file mode 100644 index 000000000..fde618b82 --- /dev/null +++ b/_sources/api/generated/feos.SolvationProfile.rst.txt @@ -0,0 +1,59 @@ +.. raw:: html + +
+
+ +feos.SolvationProfile +===================== + +.. currentmodule:: feos + +.. autoclass:: SolvationProfile + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~SolvationProfile.__init__ + ~SolvationProfile.entropy + ~SolvationProfile.entropy_density + ~SolvationProfile.internal_energy + ~SolvationProfile.residual + ~SolvationProfile.solve + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~SolvationProfile.bulk + ~SolvationProfile.density + ~SolvationProfile.dn_dmu + ~SolvationProfile.dn_dp + ~SolvationProfile.dn_dt + ~SolvationProfile.drho_dp + ~SolvationProfile.drho_dt + ~SolvationProfile.edges + ~SolvationProfile.external_potential + ~SolvationProfile.functional_derivative + ~SolvationProfile.grand_potential + ~SolvationProfile.grand_potential_density + ~SolvationProfile.meshgrid + ~SolvationProfile.moles + ~SolvationProfile.solvation_free_energy + ~SolvationProfile.solver_log + ~SolvationProfile.temperature + ~SolvationProfile.total_moles + ~SolvationProfile.weighted_densities + ~SolvationProfile.x + ~SolvationProfile.y + ~SolvationProfile.z + + \ No newline at end of file diff --git a/_sources/api/generated/feos.SolvationProfile.solve.rst.txt b/_sources/api/generated/feos.SolvationProfile.solve.rst.txt new file mode 100644 index 000000000..a6e19964b --- /dev/null +++ b/_sources/api/generated/feos.SolvationProfile.solve.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SolvationProfile.solve +=========================== + +.. currentmodule:: feos + +.. automethod:: SolvationProfile.solve \ No newline at end of file diff --git a/_sources/api/generated/feos.State.__init__.rst.txt b/_sources/api/generated/feos.State.__init__.rst.txt new file mode 100644 index 000000000..00307e368 --- /dev/null +++ b/_sources/api/generated/feos.State.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.\_\_init\_\_ +======================= + +.. currentmodule:: feos + +.. automethod:: State.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.State.chemical_potential.rst.txt b/_sources/api/generated/feos.State.chemical_potential.rst.txt new file mode 100644 index 000000000..6ac823434 --- /dev/null +++ b/_sources/api/generated/feos.State.chemical_potential.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.chemical\_potential +============================== + +.. currentmodule:: feos + +.. automethod:: State.chemical_potential \ No newline at end of file diff --git a/_sources/api/generated/feos.State.chemical_potential_contributions.rst.txt b/_sources/api/generated/feos.State.chemical_potential_contributions.rst.txt new file mode 100644 index 000000000..0c4b029a3 --- /dev/null +++ b/_sources/api/generated/feos.State.chemical_potential_contributions.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.chemical\_potential\_contributions +============================================= + +.. currentmodule:: feos + +.. automethod:: State.chemical_potential_contributions \ No newline at end of file diff --git a/_sources/api/generated/feos.State.compressibility.rst.txt b/_sources/api/generated/feos.State.compressibility.rst.txt new file mode 100644 index 000000000..1b060963f --- /dev/null +++ b/_sources/api/generated/feos.State.compressibility.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.compressibility +========================== + +.. currentmodule:: feos + +.. automethod:: State.compressibility \ No newline at end of file diff --git a/_sources/api/generated/feos.State.critical_point.rst.txt b/_sources/api/generated/feos.State.critical_point.rst.txt new file mode 100644 index 000000000..1a2757efe --- /dev/null +++ b/_sources/api/generated/feos.State.critical_point.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.critical\_point +========================== + +.. currentmodule:: feos + +.. automethod:: State.critical_point \ No newline at end of file diff --git a/_sources/api/generated/feos.State.critical_point_binary.rst.txt b/_sources/api/generated/feos.State.critical_point_binary.rst.txt new file mode 100644 index 000000000..dd50f5105 --- /dev/null +++ b/_sources/api/generated/feos.State.critical_point_binary.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.critical\_point\_binary +================================== + +.. currentmodule:: feos + +.. automethod:: State.critical_point_binary \ No newline at end of file diff --git a/_sources/api/generated/feos.State.critical_point_pure.rst.txt b/_sources/api/generated/feos.State.critical_point_pure.rst.txt new file mode 100644 index 000000000..365031d2c --- /dev/null +++ b/_sources/api/generated/feos.State.critical_point_pure.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.critical\_point\_pure +================================ + +.. currentmodule:: feos + +.. automethod:: State.critical_point_pure \ No newline at end of file diff --git a/_sources/api/generated/feos.State.d2p_drho2.rst.txt b/_sources/api/generated/feos.State.d2p_drho2.rst.txt new file mode 100644 index 000000000..93ba0d479 --- /dev/null +++ b/_sources/api/generated/feos.State.d2p_drho2.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.d2p\_drho2 +===================== + +.. currentmodule:: feos + +.. automethod:: State.d2p_drho2 \ No newline at end of file diff --git a/_sources/api/generated/feos.State.d2p_dv2.rst.txt b/_sources/api/generated/feos.State.d2p_dv2.rst.txt new file mode 100644 index 000000000..b48e33456 --- /dev/null +++ b/_sources/api/generated/feos.State.d2p_dv2.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.d2p\_dv2 +=================== + +.. currentmodule:: feos + +.. automethod:: State.d2p_dv2 \ No newline at end of file diff --git a/_sources/api/generated/feos.State.dc_v_dt.rst.txt b/_sources/api/generated/feos.State.dc_v_dt.rst.txt new file mode 100644 index 000000000..9d25264cf --- /dev/null +++ b/_sources/api/generated/feos.State.dc_v_dt.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.dc\_v\_dt +==================== + +.. currentmodule:: feos + +.. automethod:: State.dc_v_dt \ No newline at end of file diff --git a/_sources/api/generated/feos.State.diffusion.rst.txt b/_sources/api/generated/feos.State.diffusion.rst.txt new file mode 100644 index 000000000..ce12cffb3 --- /dev/null +++ b/_sources/api/generated/feos.State.diffusion.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.diffusion +==================== + +.. currentmodule:: feos + +.. automethod:: State.diffusion \ No newline at end of file diff --git a/_sources/api/generated/feos.State.diffusion_reference.rst.txt b/_sources/api/generated/feos.State.diffusion_reference.rst.txt new file mode 100644 index 000000000..c8e0563c2 --- /dev/null +++ b/_sources/api/generated/feos.State.diffusion_reference.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.diffusion\_reference +=============================== + +.. currentmodule:: feos + +.. automethod:: State.diffusion_reference \ No newline at end of file diff --git a/_sources/api/generated/feos.State.dln_phi_dnj.rst.txt b/_sources/api/generated/feos.State.dln_phi_dnj.rst.txt new file mode 100644 index 000000000..35028d147 --- /dev/null +++ b/_sources/api/generated/feos.State.dln_phi_dnj.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.dln\_phi\_dnj +======================== + +.. currentmodule:: feos + +.. automethod:: State.dln_phi_dnj \ No newline at end of file diff --git a/_sources/api/generated/feos.State.dln_phi_dp.rst.txt b/_sources/api/generated/feos.State.dln_phi_dp.rst.txt new file mode 100644 index 000000000..0e0791153 --- /dev/null +++ b/_sources/api/generated/feos.State.dln_phi_dp.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.dln\_phi\_dp +======================= + +.. currentmodule:: feos + +.. automethod:: State.dln_phi_dp \ No newline at end of file diff --git a/_sources/api/generated/feos.State.dln_phi_dt.rst.txt b/_sources/api/generated/feos.State.dln_phi_dt.rst.txt new file mode 100644 index 000000000..8f740b5e2 --- /dev/null +++ b/_sources/api/generated/feos.State.dln_phi_dt.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.dln\_phi\_dt +======================= + +.. currentmodule:: feos + +.. automethod:: State.dln_phi_dt \ No newline at end of file diff --git a/_sources/api/generated/feos.State.dmu_dni.rst.txt b/_sources/api/generated/feos.State.dmu_dni.rst.txt new file mode 100644 index 000000000..063515ec6 --- /dev/null +++ b/_sources/api/generated/feos.State.dmu_dni.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.dmu\_dni +=================== + +.. currentmodule:: feos + +.. automethod:: State.dmu_dni \ No newline at end of file diff --git a/_sources/api/generated/feos.State.dmu_dt.rst.txt b/_sources/api/generated/feos.State.dmu_dt.rst.txt new file mode 100644 index 000000000..49f1f1bd0 --- /dev/null +++ b/_sources/api/generated/feos.State.dmu_dt.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.dmu\_dt +================== + +.. currentmodule:: feos + +.. automethod:: State.dmu_dt \ No newline at end of file diff --git a/_sources/api/generated/feos.State.dp_dni.rst.txt b/_sources/api/generated/feos.State.dp_dni.rst.txt new file mode 100644 index 000000000..92db41971 --- /dev/null +++ b/_sources/api/generated/feos.State.dp_dni.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.dp\_dni +================== + +.. currentmodule:: feos + +.. automethod:: State.dp_dni \ No newline at end of file diff --git a/_sources/api/generated/feos.State.dp_drho.rst.txt b/_sources/api/generated/feos.State.dp_drho.rst.txt new file mode 100644 index 000000000..ed1944f77 --- /dev/null +++ b/_sources/api/generated/feos.State.dp_drho.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.dp\_drho +=================== + +.. currentmodule:: feos + +.. automethod:: State.dp_drho \ No newline at end of file diff --git a/_sources/api/generated/feos.State.dp_dt.rst.txt b/_sources/api/generated/feos.State.dp_dt.rst.txt new file mode 100644 index 000000000..7f3068fb9 --- /dev/null +++ b/_sources/api/generated/feos.State.dp_dt.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.dp\_dt +================= + +.. currentmodule:: feos + +.. automethod:: State.dp_dt \ No newline at end of file diff --git a/_sources/api/generated/feos.State.dp_dv.rst.txt b/_sources/api/generated/feos.State.dp_dv.rst.txt new file mode 100644 index 000000000..f2ed7d4b0 --- /dev/null +++ b/_sources/api/generated/feos.State.dp_dv.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.dp\_dv +================= + +.. currentmodule:: feos + +.. automethod:: State.dp_dv \ No newline at end of file diff --git a/_sources/api/generated/feos.State.ds_dt.rst.txt b/_sources/api/generated/feos.State.ds_dt.rst.txt new file mode 100644 index 000000000..4bccca8fd --- /dev/null +++ b/_sources/api/generated/feos.State.ds_dt.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.ds\_dt +================= + +.. currentmodule:: feos + +.. automethod:: State.ds_dt \ No newline at end of file diff --git a/_sources/api/generated/feos.State.enthalpy.rst.txt b/_sources/api/generated/feos.State.enthalpy.rst.txt new file mode 100644 index 000000000..c18bb5a47 --- /dev/null +++ b/_sources/api/generated/feos.State.enthalpy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.enthalpy +=================== + +.. currentmodule:: feos + +.. automethod:: State.enthalpy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.entropy.rst.txt b/_sources/api/generated/feos.State.entropy.rst.txt new file mode 100644 index 000000000..93697eae9 --- /dev/null +++ b/_sources/api/generated/feos.State.entropy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.entropy +================== + +.. currentmodule:: feos + +.. automethod:: State.entropy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.gibbs_energy.rst.txt b/_sources/api/generated/feos.State.gibbs_energy.rst.txt new file mode 100644 index 000000000..0dbb0b423 --- /dev/null +++ b/_sources/api/generated/feos.State.gibbs_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.gibbs\_energy +======================== + +.. currentmodule:: feos + +.. automethod:: State.gibbs_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.grueneisen_parameter.rst.txt b/_sources/api/generated/feos.State.grueneisen_parameter.rst.txt new file mode 100644 index 000000000..5dd036073 --- /dev/null +++ b/_sources/api/generated/feos.State.grueneisen_parameter.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.grueneisen\_parameter +================================ + +.. currentmodule:: feos + +.. automethod:: State.grueneisen_parameter \ No newline at end of file diff --git a/_sources/api/generated/feos.State.helmholtz_energy.rst.txt b/_sources/api/generated/feos.State.helmholtz_energy.rst.txt new file mode 100644 index 000000000..0f36a361d --- /dev/null +++ b/_sources/api/generated/feos.State.helmholtz_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.helmholtz\_energy +============================ + +.. currentmodule:: feos + +.. automethod:: State.helmholtz_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.henrys_law_constant.rst.txt b/_sources/api/generated/feos.State.henrys_law_constant.rst.txt new file mode 100644 index 000000000..18941e750 --- /dev/null +++ b/_sources/api/generated/feos.State.henrys_law_constant.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.henrys\_law\_constant +================================ + +.. currentmodule:: feos + +.. automethod:: State.henrys_law_constant \ No newline at end of file diff --git a/_sources/api/generated/feos.State.henrys_law_constant_binary.rst.txt b/_sources/api/generated/feos.State.henrys_law_constant_binary.rst.txt new file mode 100644 index 000000000..57a6d2948 --- /dev/null +++ b/_sources/api/generated/feos.State.henrys_law_constant_binary.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.henrys\_law\_constant\_binary +======================================== + +.. currentmodule:: feos + +.. automethod:: State.henrys_law_constant_binary \ No newline at end of file diff --git a/_sources/api/generated/feos.State.internal_energy.rst.txt b/_sources/api/generated/feos.State.internal_energy.rst.txt new file mode 100644 index 000000000..ee1e9c716 --- /dev/null +++ b/_sources/api/generated/feos.State.internal_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.internal\_energy +=========================== + +.. currentmodule:: feos + +.. automethod:: State.internal_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.is_stable.rst.txt b/_sources/api/generated/feos.State.is_stable.rst.txt new file mode 100644 index 000000000..b625efa9d --- /dev/null +++ b/_sources/api/generated/feos.State.is_stable.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.is\_stable +===================== + +.. currentmodule:: feos + +.. automethod:: State.is_stable \ No newline at end of file diff --git a/_sources/api/generated/feos.State.isenthalpic_compressibility.rst.txt b/_sources/api/generated/feos.State.isenthalpic_compressibility.rst.txt new file mode 100644 index 000000000..3111a2bb3 --- /dev/null +++ b/_sources/api/generated/feos.State.isenthalpic_compressibility.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.isenthalpic\_compressibility +======================================= + +.. currentmodule:: feos + +.. automethod:: State.isenthalpic_compressibility \ No newline at end of file diff --git a/_sources/api/generated/feos.State.isentropic_compressibility.rst.txt b/_sources/api/generated/feos.State.isentropic_compressibility.rst.txt new file mode 100644 index 000000000..30061e455 --- /dev/null +++ b/_sources/api/generated/feos.State.isentropic_compressibility.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.isentropic\_compressibility +====================================== + +.. currentmodule:: feos + +.. automethod:: State.isentropic_compressibility \ No newline at end of file diff --git a/_sources/api/generated/feos.State.isothermal_compressibility.rst.txt b/_sources/api/generated/feos.State.isothermal_compressibility.rst.txt new file mode 100644 index 000000000..767e16c8a --- /dev/null +++ b/_sources/api/generated/feos.State.isothermal_compressibility.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.isothermal\_compressibility +====================================== + +.. currentmodule:: feos + +.. automethod:: State.isothermal_compressibility \ No newline at end of file diff --git a/_sources/api/generated/feos.State.joule_thomson.rst.txt b/_sources/api/generated/feos.State.joule_thomson.rst.txt new file mode 100644 index 000000000..4a044ce87 --- /dev/null +++ b/_sources/api/generated/feos.State.joule_thomson.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.joule\_thomson +========================= + +.. currentmodule:: feos + +.. automethod:: State.joule_thomson \ No newline at end of file diff --git a/_sources/api/generated/feos.State.ln_diffusion_reduced.rst.txt b/_sources/api/generated/feos.State.ln_diffusion_reduced.rst.txt new file mode 100644 index 000000000..4fa5ec2d8 --- /dev/null +++ b/_sources/api/generated/feos.State.ln_diffusion_reduced.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.ln\_diffusion\_reduced +================================= + +.. currentmodule:: feos + +.. automethod:: State.ln_diffusion_reduced \ No newline at end of file diff --git a/_sources/api/generated/feos.State.ln_phi.rst.txt b/_sources/api/generated/feos.State.ln_phi.rst.txt new file mode 100644 index 000000000..96ed8a54c --- /dev/null +++ b/_sources/api/generated/feos.State.ln_phi.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.ln\_phi +================== + +.. currentmodule:: feos + +.. automethod:: State.ln_phi \ No newline at end of file diff --git a/_sources/api/generated/feos.State.ln_phi_pure_liquid.rst.txt b/_sources/api/generated/feos.State.ln_phi_pure_liquid.rst.txt new file mode 100644 index 000000000..ccf7f0759 --- /dev/null +++ b/_sources/api/generated/feos.State.ln_phi_pure_liquid.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.ln\_phi\_pure\_liquid +================================ + +.. currentmodule:: feos + +.. automethod:: State.ln_phi_pure_liquid \ No newline at end of file diff --git a/_sources/api/generated/feos.State.ln_symmetric_activity_coefficient.rst.txt b/_sources/api/generated/feos.State.ln_symmetric_activity_coefficient.rst.txt new file mode 100644 index 000000000..d7b3a0429 --- /dev/null +++ b/_sources/api/generated/feos.State.ln_symmetric_activity_coefficient.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.ln\_symmetric\_activity\_coefficient +=============================================== + +.. currentmodule:: feos + +.. automethod:: State.ln_symmetric_activity_coefficient \ No newline at end of file diff --git a/_sources/api/generated/feos.State.ln_thermal_conductivity_reduced.rst.txt b/_sources/api/generated/feos.State.ln_thermal_conductivity_reduced.rst.txt new file mode 100644 index 000000000..e38eb82e1 --- /dev/null +++ b/_sources/api/generated/feos.State.ln_thermal_conductivity_reduced.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.ln\_thermal\_conductivity\_reduced +============================================= + +.. currentmodule:: feos + +.. automethod:: State.ln_thermal_conductivity_reduced \ No newline at end of file diff --git a/_sources/api/generated/feos.State.ln_viscosity_reduced.rst.txt b/_sources/api/generated/feos.State.ln_viscosity_reduced.rst.txt new file mode 100644 index 000000000..7b2198be0 --- /dev/null +++ b/_sources/api/generated/feos.State.ln_viscosity_reduced.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.ln\_viscosity\_reduced +================================= + +.. currentmodule:: feos + +.. automethod:: State.ln_viscosity_reduced \ No newline at end of file diff --git a/_sources/api/generated/feos.State.mass.rst.txt b/_sources/api/generated/feos.State.mass.rst.txt new file mode 100644 index 000000000..97e8cc990 --- /dev/null +++ b/_sources/api/generated/feos.State.mass.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.mass +=============== + +.. currentmodule:: feos + +.. automethod:: State.mass \ No newline at end of file diff --git a/_sources/api/generated/feos.State.mass_density.rst.txt b/_sources/api/generated/feos.State.mass_density.rst.txt new file mode 100644 index 000000000..789d812ea --- /dev/null +++ b/_sources/api/generated/feos.State.mass_density.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.mass\_density +======================== + +.. currentmodule:: feos + +.. automethod:: State.mass_density \ No newline at end of file diff --git a/_sources/api/generated/feos.State.massfracs.rst.txt b/_sources/api/generated/feos.State.massfracs.rst.txt new file mode 100644 index 000000000..15e89dd39 --- /dev/null +++ b/_sources/api/generated/feos.State.massfracs.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.massfracs +==================== + +.. currentmodule:: feos + +.. automethod:: State.massfracs \ No newline at end of file diff --git a/_sources/api/generated/feos.State.molar_enthalpy.rst.txt b/_sources/api/generated/feos.State.molar_enthalpy.rst.txt new file mode 100644 index 000000000..c67e866a8 --- /dev/null +++ b/_sources/api/generated/feos.State.molar_enthalpy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.molar\_enthalpy +========================== + +.. currentmodule:: feos + +.. automethod:: State.molar_enthalpy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.molar_entropy.rst.txt b/_sources/api/generated/feos.State.molar_entropy.rst.txt new file mode 100644 index 000000000..51af3a4d0 --- /dev/null +++ b/_sources/api/generated/feos.State.molar_entropy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.molar\_entropy +========================= + +.. currentmodule:: feos + +.. automethod:: State.molar_entropy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.molar_gibbs_energy.rst.txt b/_sources/api/generated/feos.State.molar_gibbs_energy.rst.txt new file mode 100644 index 000000000..1953d4739 --- /dev/null +++ b/_sources/api/generated/feos.State.molar_gibbs_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.molar\_gibbs\_energy +=============================== + +.. currentmodule:: feos + +.. automethod:: State.molar_gibbs_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.molar_helmholtz_energy.rst.txt b/_sources/api/generated/feos.State.molar_helmholtz_energy.rst.txt new file mode 100644 index 000000000..bc1c70306 --- /dev/null +++ b/_sources/api/generated/feos.State.molar_helmholtz_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.molar\_helmholtz\_energy +=================================== + +.. currentmodule:: feos + +.. automethod:: State.molar_helmholtz_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.molar_internal_energy.rst.txt b/_sources/api/generated/feos.State.molar_internal_energy.rst.txt new file mode 100644 index 000000000..94bf27837 --- /dev/null +++ b/_sources/api/generated/feos.State.molar_internal_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.molar\_internal\_energy +================================== + +.. currentmodule:: feos + +.. automethod:: State.molar_internal_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.molar_isobaric_heat_capacity.rst.txt b/_sources/api/generated/feos.State.molar_isobaric_heat_capacity.rst.txt new file mode 100644 index 000000000..75b390bd0 --- /dev/null +++ b/_sources/api/generated/feos.State.molar_isobaric_heat_capacity.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.molar\_isobaric\_heat\_capacity +========================================== + +.. currentmodule:: feos + +.. automethod:: State.molar_isobaric_heat_capacity \ No newline at end of file diff --git a/_sources/api/generated/feos.State.molar_isochoric_heat_capacity.rst.txt b/_sources/api/generated/feos.State.molar_isochoric_heat_capacity.rst.txt new file mode 100644 index 000000000..2beda474e --- /dev/null +++ b/_sources/api/generated/feos.State.molar_isochoric_heat_capacity.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.molar\_isochoric\_heat\_capacity +=========================================== + +.. currentmodule:: feos + +.. automethod:: State.molar_isochoric_heat_capacity \ No newline at end of file diff --git a/_sources/api/generated/feos.State.partial_molar_enthalpy.rst.txt b/_sources/api/generated/feos.State.partial_molar_enthalpy.rst.txt new file mode 100644 index 000000000..539935ab4 --- /dev/null +++ b/_sources/api/generated/feos.State.partial_molar_enthalpy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.partial\_molar\_enthalpy +=================================== + +.. currentmodule:: feos + +.. automethod:: State.partial_molar_enthalpy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.partial_molar_entropy.rst.txt b/_sources/api/generated/feos.State.partial_molar_entropy.rst.txt new file mode 100644 index 000000000..9952dad31 --- /dev/null +++ b/_sources/api/generated/feos.State.partial_molar_entropy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.partial\_molar\_entropy +================================== + +.. currentmodule:: feos + +.. automethod:: State.partial_molar_entropy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.partial_molar_volume.rst.txt b/_sources/api/generated/feos.State.partial_molar_volume.rst.txt new file mode 100644 index 000000000..f184e644c --- /dev/null +++ b/_sources/api/generated/feos.State.partial_molar_volume.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.partial\_molar\_volume +================================= + +.. currentmodule:: feos + +.. automethod:: State.partial_molar_volume \ No newline at end of file diff --git a/_sources/api/generated/feos.State.pressure.rst.txt b/_sources/api/generated/feos.State.pressure.rst.txt new file mode 100644 index 000000000..4a1689c4f --- /dev/null +++ b/_sources/api/generated/feos.State.pressure.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.pressure +=================== + +.. currentmodule:: feos + +.. automethod:: State.pressure \ No newline at end of file diff --git a/_sources/api/generated/feos.State.pressure_contributions.rst.txt b/_sources/api/generated/feos.State.pressure_contributions.rst.txt new file mode 100644 index 000000000..8cd396536 --- /dev/null +++ b/_sources/api/generated/feos.State.pressure_contributions.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.pressure\_contributions +================================== + +.. currentmodule:: feos + +.. automethod:: State.pressure_contributions \ No newline at end of file diff --git a/_sources/api/generated/feos.State.residual_molar_helmholtz_energy_contributions.rst.txt b/_sources/api/generated/feos.State.residual_molar_helmholtz_energy_contributions.rst.txt new file mode 100644 index 000000000..bcdf027ce --- /dev/null +++ b/_sources/api/generated/feos.State.residual_molar_helmholtz_energy_contributions.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.residual\_molar\_helmholtz\_energy\_contributions +============================================================ + +.. currentmodule:: feos + +.. automethod:: State.residual_molar_helmholtz_energy_contributions \ No newline at end of file diff --git a/_sources/api/generated/feos.State.rst.txt b/_sources/api/generated/feos.State.rst.txt new file mode 100644 index 000000000..ffa2a5bcb --- /dev/null +++ b/_sources/api/generated/feos.State.rst.txt @@ -0,0 +1,115 @@ +.. raw:: html + +
+
+ +feos.State +========== + +.. currentmodule:: feos + +.. autoclass:: State + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~State.__init__ + ~State.chemical_potential + ~State.chemical_potential_contributions + ~State.compressibility + ~State.critical_point + ~State.critical_point_binary + ~State.critical_point_pure + ~State.d2p_drho2 + ~State.d2p_dv2 + ~State.dc_v_dt + ~State.diffusion + ~State.diffusion_reference + ~State.dln_phi_dnj + ~State.dln_phi_dp + ~State.dln_phi_dt + ~State.dmu_dni + ~State.dmu_dt + ~State.dp_dni + ~State.dp_drho + ~State.dp_dt + ~State.dp_dv + ~State.ds_dt + ~State.enthalpy + ~State.entropy + ~State.gibbs_energy + ~State.grueneisen_parameter + ~State.helmholtz_energy + ~State.henrys_law_constant + ~State.henrys_law_constant_binary + ~State.internal_energy + ~State.is_stable + ~State.isenthalpic_compressibility + ~State.isentropic_compressibility + ~State.isothermal_compressibility + ~State.joule_thomson + ~State.ln_diffusion_reduced + ~State.ln_phi + ~State.ln_phi_pure_liquid + ~State.ln_symmetric_activity_coefficient + ~State.ln_thermal_conductivity_reduced + ~State.ln_viscosity_reduced + ~State.mass + ~State.mass_density + ~State.massfracs + ~State.molar_enthalpy + ~State.molar_entropy + ~State.molar_gibbs_energy + ~State.molar_helmholtz_energy + ~State.molar_internal_energy + ~State.molar_isobaric_heat_capacity + ~State.molar_isochoric_heat_capacity + ~State.partial_molar_enthalpy + ~State.partial_molar_entropy + ~State.partial_molar_volume + ~State.pressure + ~State.pressure_contributions + ~State.residual_molar_helmholtz_energy_contributions + ~State.specific_enthalpy + ~State.specific_entropy + ~State.specific_gibbs_energy + ~State.specific_helmholtz_energy + ~State.specific_internal_energy + ~State.specific_isobaric_heat_capacity + ~State.specific_isochoric_heat_capacity + ~State.speed_of_sound + ~State.spinodal + ~State.stability_analysis + ~State.structure_factor + ~State.thermal_conductivity + ~State.thermal_conductivity_reference + ~State.thermal_expansivity + ~State.thermodynamic_factor + ~State.total_mass + ~State.total_molar_weight + ~State.tp_flash + ~State.viscosity + ~State.viscosity_reference + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~State.density + ~State.molefracs + ~State.moles + ~State.partial_density + ~State.temperature + ~State.total_moles + ~State.volume + + \ No newline at end of file diff --git a/_sources/api/generated/feos.State.specific_enthalpy.rst.txt b/_sources/api/generated/feos.State.specific_enthalpy.rst.txt new file mode 100644 index 000000000..47fe11edc --- /dev/null +++ b/_sources/api/generated/feos.State.specific_enthalpy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.specific\_enthalpy +============================= + +.. currentmodule:: feos + +.. automethod:: State.specific_enthalpy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.specific_entropy.rst.txt b/_sources/api/generated/feos.State.specific_entropy.rst.txt new file mode 100644 index 000000000..d3e0fb423 --- /dev/null +++ b/_sources/api/generated/feos.State.specific_entropy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.specific\_entropy +============================ + +.. currentmodule:: feos + +.. automethod:: State.specific_entropy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.specific_gibbs_energy.rst.txt b/_sources/api/generated/feos.State.specific_gibbs_energy.rst.txt new file mode 100644 index 000000000..3f37067ec --- /dev/null +++ b/_sources/api/generated/feos.State.specific_gibbs_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.specific\_gibbs\_energy +================================== + +.. currentmodule:: feos + +.. automethod:: State.specific_gibbs_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.specific_helmholtz_energy.rst.txt b/_sources/api/generated/feos.State.specific_helmholtz_energy.rst.txt new file mode 100644 index 000000000..b58341b27 --- /dev/null +++ b/_sources/api/generated/feos.State.specific_helmholtz_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.specific\_helmholtz\_energy +====================================== + +.. currentmodule:: feos + +.. automethod:: State.specific_helmholtz_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.specific_internal_energy.rst.txt b/_sources/api/generated/feos.State.specific_internal_energy.rst.txt new file mode 100644 index 000000000..2a1602504 --- /dev/null +++ b/_sources/api/generated/feos.State.specific_internal_energy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.specific\_internal\_energy +===================================== + +.. currentmodule:: feos + +.. automethod:: State.specific_internal_energy \ No newline at end of file diff --git a/_sources/api/generated/feos.State.specific_isobaric_heat_capacity.rst.txt b/_sources/api/generated/feos.State.specific_isobaric_heat_capacity.rst.txt new file mode 100644 index 000000000..0284dae20 --- /dev/null +++ b/_sources/api/generated/feos.State.specific_isobaric_heat_capacity.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.specific\_isobaric\_heat\_capacity +============================================= + +.. currentmodule:: feos + +.. automethod:: State.specific_isobaric_heat_capacity \ No newline at end of file diff --git a/_sources/api/generated/feos.State.specific_isochoric_heat_capacity.rst.txt b/_sources/api/generated/feos.State.specific_isochoric_heat_capacity.rst.txt new file mode 100644 index 000000000..d0f7a91c5 --- /dev/null +++ b/_sources/api/generated/feos.State.specific_isochoric_heat_capacity.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.specific\_isochoric\_heat\_capacity +============================================== + +.. currentmodule:: feos + +.. automethod:: State.specific_isochoric_heat_capacity \ No newline at end of file diff --git a/_sources/api/generated/feos.State.speed_of_sound.rst.txt b/_sources/api/generated/feos.State.speed_of_sound.rst.txt new file mode 100644 index 000000000..6be035c55 --- /dev/null +++ b/_sources/api/generated/feos.State.speed_of_sound.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.speed\_of\_sound +=========================== + +.. currentmodule:: feos + +.. automethod:: State.speed_of_sound \ No newline at end of file diff --git a/_sources/api/generated/feos.State.spinodal.rst.txt b/_sources/api/generated/feos.State.spinodal.rst.txt new file mode 100644 index 000000000..1fcb0511c --- /dev/null +++ b/_sources/api/generated/feos.State.spinodal.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.spinodal +=================== + +.. currentmodule:: feos + +.. automethod:: State.spinodal \ No newline at end of file diff --git a/_sources/api/generated/feos.State.stability_analysis.rst.txt b/_sources/api/generated/feos.State.stability_analysis.rst.txt new file mode 100644 index 000000000..c5c94c809 --- /dev/null +++ b/_sources/api/generated/feos.State.stability_analysis.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.stability\_analysis +============================== + +.. currentmodule:: feos + +.. automethod:: State.stability_analysis \ No newline at end of file diff --git a/_sources/api/generated/feos.State.structure_factor.rst.txt b/_sources/api/generated/feos.State.structure_factor.rst.txt new file mode 100644 index 000000000..bef6d5636 --- /dev/null +++ b/_sources/api/generated/feos.State.structure_factor.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.structure\_factor +============================ + +.. currentmodule:: feos + +.. automethod:: State.structure_factor \ No newline at end of file diff --git a/_sources/api/generated/feos.State.thermal_conductivity.rst.txt b/_sources/api/generated/feos.State.thermal_conductivity.rst.txt new file mode 100644 index 000000000..d7685f0ea --- /dev/null +++ b/_sources/api/generated/feos.State.thermal_conductivity.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.thermal\_conductivity +================================ + +.. currentmodule:: feos + +.. automethod:: State.thermal_conductivity \ No newline at end of file diff --git a/_sources/api/generated/feos.State.thermal_conductivity_reference.rst.txt b/_sources/api/generated/feos.State.thermal_conductivity_reference.rst.txt new file mode 100644 index 000000000..f61a896d1 --- /dev/null +++ b/_sources/api/generated/feos.State.thermal_conductivity_reference.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.thermal\_conductivity\_reference +=========================================== + +.. currentmodule:: feos + +.. automethod:: State.thermal_conductivity_reference \ No newline at end of file diff --git a/_sources/api/generated/feos.State.thermal_expansivity.rst.txt b/_sources/api/generated/feos.State.thermal_expansivity.rst.txt new file mode 100644 index 000000000..191eda27b --- /dev/null +++ b/_sources/api/generated/feos.State.thermal_expansivity.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.thermal\_expansivity +=============================== + +.. currentmodule:: feos + +.. automethod:: State.thermal_expansivity \ No newline at end of file diff --git a/_sources/api/generated/feos.State.thermodynamic_factor.rst.txt b/_sources/api/generated/feos.State.thermodynamic_factor.rst.txt new file mode 100644 index 000000000..a20395c88 --- /dev/null +++ b/_sources/api/generated/feos.State.thermodynamic_factor.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.thermodynamic\_factor +================================ + +.. currentmodule:: feos + +.. automethod:: State.thermodynamic_factor \ No newline at end of file diff --git a/_sources/api/generated/feos.State.total_mass.rst.txt b/_sources/api/generated/feos.State.total_mass.rst.txt new file mode 100644 index 000000000..a7f308f01 --- /dev/null +++ b/_sources/api/generated/feos.State.total_mass.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.total\_mass +====================== + +.. currentmodule:: feos + +.. automethod:: State.total_mass \ No newline at end of file diff --git a/_sources/api/generated/feos.State.total_molar_weight.rst.txt b/_sources/api/generated/feos.State.total_molar_weight.rst.txt new file mode 100644 index 000000000..7a966513a --- /dev/null +++ b/_sources/api/generated/feos.State.total_molar_weight.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.total\_molar\_weight +=============================== + +.. currentmodule:: feos + +.. automethod:: State.total_molar_weight \ No newline at end of file diff --git a/_sources/api/generated/feos.State.tp_flash.rst.txt b/_sources/api/generated/feos.State.tp_flash.rst.txt new file mode 100644 index 000000000..a9478db4c --- /dev/null +++ b/_sources/api/generated/feos.State.tp_flash.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.tp\_flash +==================== + +.. currentmodule:: feos + +.. automethod:: State.tp_flash \ No newline at end of file diff --git a/_sources/api/generated/feos.State.viscosity.rst.txt b/_sources/api/generated/feos.State.viscosity.rst.txt new file mode 100644 index 000000000..b0e3b5008 --- /dev/null +++ b/_sources/api/generated/feos.State.viscosity.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.viscosity +==================== + +.. currentmodule:: feos + +.. automethod:: State.viscosity \ No newline at end of file diff --git a/_sources/api/generated/feos.State.viscosity_reference.rst.txt b/_sources/api/generated/feos.State.viscosity_reference.rst.txt new file mode 100644 index 000000000..c5e3c36ef --- /dev/null +++ b/_sources/api/generated/feos.State.viscosity_reference.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.State.viscosity\_reference +=============================== + +.. currentmodule:: feos + +.. automethod:: State.viscosity_reference \ No newline at end of file diff --git a/_sources/api/generated/feos.StateVec.__init__.rst.txt b/_sources/api/generated/feos.StateVec.__init__.rst.txt new file mode 100644 index 000000000..74b0de0e4 --- /dev/null +++ b/_sources/api/generated/feos.StateVec.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.StateVec.\_\_init\_\_ +========================== + +.. currentmodule:: feos + +.. automethod:: StateVec.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.StateVec.molar_enthalpy.rst.txt b/_sources/api/generated/feos.StateVec.molar_enthalpy.rst.txt new file mode 100644 index 000000000..a2ed50a6d --- /dev/null +++ b/_sources/api/generated/feos.StateVec.molar_enthalpy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.StateVec.molar\_enthalpy +============================= + +.. currentmodule:: feos + +.. automethod:: StateVec.molar_enthalpy \ No newline at end of file diff --git a/_sources/api/generated/feos.StateVec.molar_entropy.rst.txt b/_sources/api/generated/feos.StateVec.molar_entropy.rst.txt new file mode 100644 index 000000000..54d3e734f --- /dev/null +++ b/_sources/api/generated/feos.StateVec.molar_entropy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.StateVec.molar\_entropy +============================ + +.. currentmodule:: feos + +.. automethod:: StateVec.molar_entropy \ No newline at end of file diff --git a/_sources/api/generated/feos.StateVec.rst.txt b/_sources/api/generated/feos.StateVec.rst.txt new file mode 100644 index 000000000..af4338eb8 --- /dev/null +++ b/_sources/api/generated/feos.StateVec.rst.txt @@ -0,0 +1,45 @@ +.. raw:: html + +
+
+ +feos.StateVec +============= + +.. currentmodule:: feos + +.. autoclass:: StateVec + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~StateVec.__init__ + ~StateVec.molar_enthalpy + ~StateVec.molar_entropy + ~StateVec.specific_enthalpy + ~StateVec.specific_entropy + ~StateVec.to_dict + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~StateVec.compressibility + ~StateVec.density + ~StateVec.mass_density + ~StateVec.massfracs + ~StateVec.molefracs + ~StateVec.moles + ~StateVec.pressure + ~StateVec.temperature + + \ No newline at end of file diff --git a/_sources/api/generated/feos.StateVec.specific_enthalpy.rst.txt b/_sources/api/generated/feos.StateVec.specific_enthalpy.rst.txt new file mode 100644 index 000000000..d227c9c7d --- /dev/null +++ b/_sources/api/generated/feos.StateVec.specific_enthalpy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.StateVec.specific\_enthalpy +================================ + +.. currentmodule:: feos + +.. automethod:: StateVec.specific_enthalpy \ No newline at end of file diff --git a/_sources/api/generated/feos.StateVec.specific_entropy.rst.txt b/_sources/api/generated/feos.StateVec.specific_entropy.rst.txt new file mode 100644 index 000000000..94391dd7f --- /dev/null +++ b/_sources/api/generated/feos.StateVec.specific_entropy.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.StateVec.specific\_entropy +=============================== + +.. currentmodule:: feos + +.. automethod:: StateVec.specific_entropy \ No newline at end of file diff --git a/_sources/api/generated/feos.StateVec.to_dict.rst.txt b/_sources/api/generated/feos.StateVec.to_dict.rst.txt new file mode 100644 index 000000000..0d21ff627 --- /dev/null +++ b/_sources/api/generated/feos.StateVec.to_dict.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.StateVec.to\_dict +====================== + +.. currentmodule:: feos + +.. automethod:: StateVec.to_dict \ No newline at end of file diff --git a/_sources/api/generated/feos.SurfaceTensionDiagram.__init__.rst.txt b/_sources/api/generated/feos.SurfaceTensionDiagram.__init__.rst.txt new file mode 100644 index 000000000..eb914c558 --- /dev/null +++ b/_sources/api/generated/feos.SurfaceTensionDiagram.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.SurfaceTensionDiagram.\_\_init\_\_ +======================================= + +.. currentmodule:: feos + +.. automethod:: SurfaceTensionDiagram.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.SurfaceTensionDiagram.rst.txt b/_sources/api/generated/feos.SurfaceTensionDiagram.rst.txt new file mode 100644 index 000000000..d28d8fce0 --- /dev/null +++ b/_sources/api/generated/feos.SurfaceTensionDiagram.rst.txt @@ -0,0 +1,39 @@ +.. raw:: html + +
+
+ +feos.SurfaceTensionDiagram +========================== + +.. currentmodule:: feos + +.. autoclass:: SurfaceTensionDiagram + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~SurfaceTensionDiagram.__init__ + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~SurfaceTensionDiagram.interfacial_enrichment + ~SurfaceTensionDiagram.interfacial_thickness + ~SurfaceTensionDiagram.liquid + ~SurfaceTensionDiagram.profiles + ~SurfaceTensionDiagram.relative_adsorption + ~SurfaceTensionDiagram.surface_tension + ~SurfaceTensionDiagram.vapor + + \ No newline at end of file diff --git a/_sources/api/generated/feos.Verbosity.__init__.rst.txt b/_sources/api/generated/feos.Verbosity.__init__.rst.txt new file mode 100644 index 000000000..4f4e51e0f --- /dev/null +++ b/_sources/api/generated/feos.Verbosity.__init__.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.Verbosity.\_\_init\_\_ +=========================== + +.. currentmodule:: feos + +.. automethod:: Verbosity.__init__ \ No newline at end of file diff --git a/_sources/api/generated/feos.Verbosity.rst.txt b/_sources/api/generated/feos.Verbosity.rst.txt new file mode 100644 index 000000000..7c66ed711 --- /dev/null +++ b/_sources/api/generated/feos.Verbosity.rst.txt @@ -0,0 +1,35 @@ +.. raw:: html + +
+
+ +feos.Verbosity +============== + +.. currentmodule:: feos + +.. autoclass:: Verbosity + + + + + .. rubric:: Methods + + .. autosummary:: + :toctree: ./ + + ~Verbosity.__init__ + + + + + + .. rubric:: Attributes + + .. autosummary:: + + ~Verbosity.Iter + ~Verbosity.None + ~Verbosity.Result + + \ No newline at end of file diff --git a/_sources/api/generated/feos.bubble_point_pressure_derivatives.rst.txt b/_sources/api/generated/feos.bubble_point_pressure_derivatives.rst.txt new file mode 100644 index 000000000..7fa0a3c95 --- /dev/null +++ b/_sources/api/generated/feos.bubble_point_pressure_derivatives.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.bubble\_point\_pressure\_derivatives +========================================= + +.. currentmodule:: feos + +.. autofunction:: bubble_point_pressure_derivatives \ No newline at end of file diff --git a/_sources/api/generated/feos.dew_point_pressure_derivatives.rst.txt b/_sources/api/generated/feos.dew_point_pressure_derivatives.rst.txt new file mode 100644 index 000000000..7091624ed --- /dev/null +++ b/_sources/api/generated/feos.dew_point_pressure_derivatives.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.dew\_point\_pressure\_derivatives +====================================== + +.. currentmodule:: feos + +.. autofunction:: dew_point_pressure_derivatives \ No newline at end of file diff --git a/_sources/api/generated/feos.equilibrium_liquid_density_derivatives.rst.txt b/_sources/api/generated/feos.equilibrium_liquid_density_derivatives.rst.txt new file mode 100644 index 000000000..d9316e647 --- /dev/null +++ b/_sources/api/generated/feos.equilibrium_liquid_density_derivatives.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.equilibrium\_liquid\_density\_derivatives +============================================== + +.. currentmodule:: feos + +.. autofunction:: equilibrium_liquid_density_derivatives \ No newline at end of file diff --git a/_sources/api/generated/feos.liquid_density_derivatives.rst.txt b/_sources/api/generated/feos.liquid_density_derivatives.rst.txt new file mode 100644 index 000000000..103d94512 --- /dev/null +++ b/_sources/api/generated/feos.liquid_density_derivatives.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.liquid\_density\_derivatives +================================= + +.. currentmodule:: feos + +.. autofunction:: liquid_density_derivatives \ No newline at end of file diff --git a/_sources/api/generated/feos.vapor_pressure_derivatives.rst.txt b/_sources/api/generated/feos.vapor_pressure_derivatives.rst.txt new file mode 100644 index 000000000..88b7a50e1 --- /dev/null +++ b/_sources/api/generated/feos.vapor_pressure_derivatives.rst.txt @@ -0,0 +1,11 @@ +.. raw:: html + +
+
+ +feos.vapor\_pressure\_derivatives +================================= + +.. currentmodule:: feos + +.. autofunction:: vapor_pressure_derivatives \ No newline at end of file diff --git a/_sources/api/index.md.txt b/_sources/api/index.md.txt new file mode 100644 index 000000000..85df22f77 --- /dev/null +++ b/_sources/api/index.md.txt @@ -0,0 +1,13 @@ +# API + +All functions and classes in FeOS are exported at the package root. Here, they are grouped by application: + +```{eval-rst} +.. toctree:: + :maxdepth: 2 + + parameters + eos + dft + ad +``` \ No newline at end of file diff --git a/docs/api/parameters.md b/_sources/api/parameters.md.txt similarity index 100% rename from docs/api/parameters.md rename to _sources/api/parameters.md.txt diff --git a/docs/help_and_feedback.md b/_sources/help_and_feedback.md.txt similarity index 100% rename from docs/help_and_feedback.md rename to _sources/help_and_feedback.md.txt diff --git a/docs/index.md b/_sources/index.md.txt similarity index 100% rename from docs/index.md rename to _sources/index.md.txt diff --git a/docs/installation.md b/_sources/installation.md.txt similarity index 100% rename from docs/installation.md rename to _sources/installation.md.txt diff --git a/docs/recipes/index.md b/_sources/recipes/index.md.txt similarity index 100% rename from docs/recipes/index.md rename to _sources/recipes/index.md.txt diff --git a/docs/recipes/recipes_automatic_differentiation.ipynb b/_sources/recipes/recipes_automatic_differentiation.ipynb.txt similarity index 100% rename from docs/recipes/recipes_automatic_differentiation.ipynb rename to _sources/recipes/recipes_automatic_differentiation.ipynb.txt diff --git a/docs/recipes/recipes_contact_angle.ipynb b/_sources/recipes/recipes_contact_angle.ipynb.txt similarity index 100% rename from docs/recipes/recipes_contact_angle.ipynb rename to _sources/recipes/recipes_contact_angle.ipynb.txt diff --git a/docs/recipes/recipes_critical_point_pure.ipynb b/_sources/recipes/recipes_critical_point_pure.ipynb.txt similarity index 100% rename from docs/recipes/recipes_critical_point_pure.ipynb rename to _sources/recipes/recipes_critical_point_pure.ipynb.txt diff --git a/docs/recipes/recipes_p_sat_t_boil.ipynb b/_sources/recipes/recipes_p_sat_t_boil.ipynb.txt similarity index 100% rename from docs/recipes/recipes_p_sat_t_boil.ipynb rename to _sources/recipes/recipes_p_sat_t_boil.ipynb.txt diff --git a/docs/recipes/recipes_phase_diagram_pure.ipynb b/_sources/recipes/recipes_phase_diagram_pure.ipynb.txt similarity index 100% rename from docs/recipes/recipes_phase_diagram_pure.ipynb rename to _sources/recipes/recipes_phase_diagram_pure.ipynb.txt diff --git a/docs/recipes/recipes_phase_equilibrium_pure.ipynb b/_sources/recipes/recipes_phase_equilibrium_pure.ipynb.txt similarity index 100% rename from docs/recipes/recipes_phase_equilibrium_pure.ipynb rename to _sources/recipes/recipes_phase_equilibrium_pure.ipynb.txt diff --git a/docs/recipes/recipes_surface_tension_diagram_pure.ipynb b/_sources/recipes/recipes_surface_tension_diagram_pure.ipynb.txt similarity index 100% rename from docs/recipes/recipes_surface_tension_diagram_pure.ipynb rename to _sources/recipes/recipes_surface_tension_diagram_pure.ipynb.txt diff --git a/docs/recipes/recipes_surface_tension_pure.ipynb b/_sources/recipes/recipes_surface_tension_pure.ipynb.txt similarity index 100% rename from docs/recipes/recipes_surface_tension_pure.ipynb rename to _sources/recipes/recipes_surface_tension_pure.ipynb.txt diff --git a/docs/rust_api.md b/_sources/rust_api.md.txt similarity index 100% rename from docs/rust_api.md rename to _sources/rust_api.md.txt diff --git a/docs/rustguide/core/equation_of_state.rst b/_sources/rustguide/core/equation_of_state.rst.txt similarity index 100% rename from docs/rustguide/core/equation_of_state.rst rename to _sources/rustguide/core/equation_of_state.rst.txt diff --git a/docs/rustguide/core/index.md b/_sources/rustguide/core/index.md.txt similarity index 100% rename from docs/rustguide/core/index.md rename to _sources/rustguide/core/index.md.txt diff --git a/docs/rustguide/core/state.rst b/_sources/rustguide/core/state.rst.txt similarity index 100% rename from docs/rustguide/core/state.rst rename to _sources/rustguide/core/state.rst.txt diff --git a/docs/rustguide/index.md b/_sources/rustguide/index.md.txt similarity index 100% rename from docs/rustguide/index.md rename to _sources/rustguide/index.md.txt diff --git a/docs/theory/dft/derivatives.md b/_sources/theory/dft/derivatives.md.txt similarity index 100% rename from docs/theory/dft/derivatives.md rename to _sources/theory/dft/derivatives.md.txt diff --git a/docs/theory/dft/enthalpy_of_adsorption.md b/_sources/theory/dft/enthalpy_of_adsorption.md.txt similarity index 100% rename from docs/theory/dft/enthalpy_of_adsorption.md rename to _sources/theory/dft/enthalpy_of_adsorption.md.txt diff --git a/docs/theory/dft/euler_lagrange_equation.md b/_sources/theory/dft/euler_lagrange_equation.md.txt similarity index 100% rename from docs/theory/dft/euler_lagrange_equation.md rename to _sources/theory/dft/euler_lagrange_equation.md.txt diff --git a/docs/theory/dft/functional_derivatives.md b/_sources/theory/dft/functional_derivatives.md.txt similarity index 100% rename from docs/theory/dft/functional_derivatives.md rename to _sources/theory/dft/functional_derivatives.md.txt diff --git a/docs/theory/dft/ideal_gas.md b/_sources/theory/dft/ideal_gas.md.txt similarity index 100% rename from docs/theory/dft/ideal_gas.md rename to _sources/theory/dft/ideal_gas.md.txt diff --git a/docs/theory/dft/index.md b/_sources/theory/dft/index.md.txt similarity index 100% rename from docs/theory/dft/index.md rename to _sources/theory/dft/index.md.txt diff --git a/docs/theory/dft/pdgt.md b/_sources/theory/dft/pdgt.md.txt old mode 100755 new mode 100644 similarity index 100% rename from docs/theory/dft/pdgt.md rename to _sources/theory/dft/pdgt.md.txt diff --git a/docs/theory/dft/solver.md b/_sources/theory/dft/solver.md.txt similarity index 100% rename from docs/theory/dft/solver.md rename to _sources/theory/dft/solver.md.txt diff --git a/docs/theory/eos/critical_points.md b/_sources/theory/eos/critical_points.md.txt similarity index 100% rename from docs/theory/eos/critical_points.md rename to _sources/theory/eos/critical_points.md.txt diff --git a/docs/theory/eos/index.md b/_sources/theory/eos/index.md.txt similarity index 100% rename from docs/theory/eos/index.md rename to _sources/theory/eos/index.md.txt diff --git a/docs/theory/eos/properties.md b/_sources/theory/eos/properties.md.txt similarity index 100% rename from docs/theory/eos/properties.md rename to _sources/theory/eos/properties.md.txt diff --git a/docs/theory/models/association.md b/_sources/theory/models/association.md.txt similarity index 100% rename from docs/theory/models/association.md rename to _sources/theory/models/association.md.txt diff --git a/docs/theory/models/hard_spheres.md b/_sources/theory/models/hard_spheres.md.txt similarity index 100% rename from docs/theory/models/hard_spheres.md rename to _sources/theory/models/hard_spheres.md.txt diff --git a/docs/theory/models/index.md b/_sources/theory/models/index.md.txt similarity index 100% rename from docs/theory/models/index.md rename to _sources/theory/models/index.md.txt diff --git a/docs/tutorials/dft/index.md b/_sources/tutorials/dft/index.md.txt similarity index 100% rename from docs/tutorials/dft/index.md rename to _sources/tutorials/dft/index.md.txt diff --git a/docs/tutorials/dft/pcsaft_surface_tension.ipynb b/_sources/tutorials/dft/pcsaft_surface_tension.ipynb.txt similarity index 100% rename from docs/tutorials/dft/pcsaft_surface_tension.ipynb rename to _sources/tutorials/dft/pcsaft_surface_tension.ipynb.txt diff --git a/docs/tutorials/eos/core_user_defined_eos.ipynb b/_sources/tutorials/eos/core_user_defined_eos.ipynb.txt similarity index 100% rename from docs/tutorials/eos/core_user_defined_eos.ipynb rename to _sources/tutorials/eos/core_user_defined_eos.ipynb.txt diff --git a/docs/tutorials/eos/index.md b/_sources/tutorials/eos/index.md.txt similarity index 100% rename from docs/tutorials/eos/index.md rename to _sources/tutorials/eos/index.md.txt diff --git a/docs/tutorials/eos/pcsaft_entropy_scaling.ipynb b/_sources/tutorials/eos/pcsaft_entropy_scaling.ipynb.txt similarity index 100% rename from docs/tutorials/eos/pcsaft_entropy_scaling.ipynb rename to _sources/tutorials/eos/pcsaft_entropy_scaling.ipynb.txt diff --git a/docs/tutorials/eos/pcsaft_phase_diagram.ipynb b/_sources/tutorials/eos/pcsaft_phase_diagram.ipynb.txt similarity index 100% rename from docs/tutorials/eos/pcsaft_phase_diagram.ipynb rename to _sources/tutorials/eos/pcsaft_phase_diagram.ipynb.txt diff --git a/docs/tutorials/eos/pcsaft_working_with_parameters.ipynb b/_sources/tutorials/eos/pcsaft_working_with_parameters.ipynb.txt similarity index 100% rename from docs/tutorials/eos/pcsaft_working_with_parameters.ipynb rename to _sources/tutorials/eos/pcsaft_working_with_parameters.ipynb.txt diff --git a/docs/tutorials/index.md b/_sources/tutorials/index.md.txt similarity index 100% rename from docs/tutorials/index.md rename to _sources/tutorials/index.md.txt diff --git a/docs/tutorials/utility/core_dual_numbers.ipynb b/_sources/tutorials/utility/core_dual_numbers.ipynb.txt similarity index 100% rename from docs/tutorials/utility/core_dual_numbers.ipynb rename to _sources/tutorials/utility/core_dual_numbers.ipynb.txt diff --git a/docs/tutorials/utility/core_working_with_units.ipynb b/_sources/tutorials/utility/core_working_with_units.ipynb.txt similarity index 100% rename from docs/tutorials/utility/core_working_with_units.ipynb rename to _sources/tutorials/utility/core_working_with_units.ipynb.txt diff --git a/docs/tutorials/utility/index.md b/_sources/tutorials/utility/index.md.txt similarity index 100% rename from docs/tutorials/utility/index.md rename to _sources/tutorials/utility/index.md.txt diff --git a/_sphinx_design_static/design-tabs.js b/_sphinx_design_static/design-tabs.js new file mode 100644 index 000000000..b25bd6a4f --- /dev/null +++ b/_sphinx_design_static/design-tabs.js @@ -0,0 +1,101 @@ +// @ts-check + +// Extra JS capability for selected tabs to be synced +// The selection is stored in local storage so that it persists across page loads. + +/** + * @type {Record} + */ +let sd_id_to_elements = {}; +const storageKeyPrefix = "sphinx-design-tab-id-"; + +/** + * Create a key for a tab element. + * @param {HTMLElement} el - The tab element. + * @returns {[string, string, string] | null} - The key. + * + */ +function create_key(el) { + let syncId = el.getAttribute("data-sync-id"); + let syncGroup = el.getAttribute("data-sync-group"); + if (!syncId || !syncGroup) return null; + return [syncGroup, syncId, syncGroup + "--" + syncId]; +} + +/** + * Initialize the tab selection. + * + */ +function ready() { + // Find all tabs with sync data + + /** @type {string[]} */ + let groups = []; + + document.querySelectorAll(".sd-tab-label").forEach((label) => { + if (label instanceof HTMLElement) { + let data = create_key(label); + if (data) { + let [group, id, key] = data; + + // add click event listener + // @ts-ignore + label.onclick = onSDLabelClick; + + // store map of key to elements + if (!sd_id_to_elements[key]) { + sd_id_to_elements[key] = []; + } + sd_id_to_elements[key].push(label); + + if (groups.indexOf(group) === -1) { + groups.push(group); + // Check if a specific tab has been selected via URL parameter + const tabParam = new URLSearchParams(window.location.search).get( + group + ); + if (tabParam) { + console.log( + "sphinx-design: Selecting tab id for group '" + + group + + "' from URL parameter: " + + tabParam + ); + window.sessionStorage.setItem(storageKeyPrefix + group, tabParam); + } + } + + // Check is a specific tab has been selected previously + let previousId = window.sessionStorage.getItem( + storageKeyPrefix + group + ); + if (previousId === id) { + // console.log( + // "sphinx-design: Selecting tab from session storage: " + id + // ); + // @ts-ignore + label.previousElementSibling.checked = true; + } + } + } + }); +} + +/** + * Activate other tabs with the same sync id. + * + * @this {HTMLElement} - The element that was clicked. + */ +function onSDLabelClick() { + let data = create_key(this); + if (!data) return; + let [group, id, key] = data; + for (const label of sd_id_to_elements[key]) { + if (label === this) continue; + // @ts-ignore + label.previousElementSibling.checked = true; + } + window.sessionStorage.setItem(storageKeyPrefix + group, id); +} + +document.addEventListener("DOMContentLoaded", ready, false); diff --git a/_sphinx_design_static/sphinx-design.min.css b/_sphinx_design_static/sphinx-design.min.css new file mode 100644 index 000000000..860c36da0 --- /dev/null +++ b/_sphinx_design_static/sphinx-design.min.css @@ -0,0 +1 @@ +.sd-bg-primary{background-color:var(--sd-color-primary) !important}.sd-bg-text-primary{color:var(--sd-color-primary-text) !important}button.sd-bg-primary:focus,button.sd-bg-primary:hover{background-color:var(--sd-color-primary-highlight) !important}a.sd-bg-primary:focus,a.sd-bg-primary:hover{background-color:var(--sd-color-primary-highlight) !important}.sd-bg-secondary{background-color:var(--sd-color-secondary) !important}.sd-bg-text-secondary{color:var(--sd-color-secondary-text) !important}button.sd-bg-secondary:focus,button.sd-bg-secondary:hover{background-color:var(--sd-color-secondary-highlight) !important}a.sd-bg-secondary:focus,a.sd-bg-secondary:hover{background-color:var(--sd-color-secondary-highlight) !important}.sd-bg-success{background-color:var(--sd-color-success) !important}.sd-bg-text-success{color:var(--sd-color-success-text) !important}button.sd-bg-success:focus,button.sd-bg-success:hover{background-color:var(--sd-color-success-highlight) !important}a.sd-bg-success:focus,a.sd-bg-success:hover{background-color:var(--sd-color-success-highlight) !important}.sd-bg-info{background-color:var(--sd-color-info) !important}.sd-bg-text-info{color:var(--sd-color-info-text) !important}button.sd-bg-info:focus,button.sd-bg-info:hover{background-color:var(--sd-color-info-highlight) !important}a.sd-bg-info:focus,a.sd-bg-info:hover{background-color:var(--sd-color-info-highlight) !important}.sd-bg-warning{background-color:var(--sd-color-warning) !important}.sd-bg-text-warning{color:var(--sd-color-warning-text) !important}button.sd-bg-warning:focus,button.sd-bg-warning:hover{background-color:var(--sd-color-warning-highlight) !important}a.sd-bg-warning:focus,a.sd-bg-warning:hover{background-color:var(--sd-color-warning-highlight) !important}.sd-bg-danger{background-color:var(--sd-color-danger) !important}.sd-bg-text-danger{color:var(--sd-color-danger-text) !important}button.sd-bg-danger:focus,button.sd-bg-danger:hover{background-color:var(--sd-color-danger-highlight) !important}a.sd-bg-danger:focus,a.sd-bg-danger:hover{background-color:var(--sd-color-danger-highlight) !important}.sd-bg-light{background-color:var(--sd-color-light) !important}.sd-bg-text-light{color:var(--sd-color-light-text) !important}button.sd-bg-light:focus,button.sd-bg-light:hover{background-color:var(--sd-color-light-highlight) !important}a.sd-bg-light:focus,a.sd-bg-light:hover{background-color:var(--sd-color-light-highlight) !important}.sd-bg-muted{background-color:var(--sd-color-muted) !important}.sd-bg-text-muted{color:var(--sd-color-muted-text) !important}button.sd-bg-muted:focus,button.sd-bg-muted:hover{background-color:var(--sd-color-muted-highlight) !important}a.sd-bg-muted:focus,a.sd-bg-muted:hover{background-color:var(--sd-color-muted-highlight) !important}.sd-bg-dark{background-color:var(--sd-color-dark) !important}.sd-bg-text-dark{color:var(--sd-color-dark-text) !important}button.sd-bg-dark:focus,button.sd-bg-dark:hover{background-color:var(--sd-color-dark-highlight) !important}a.sd-bg-dark:focus,a.sd-bg-dark:hover{background-color:var(--sd-color-dark-highlight) !important}.sd-bg-black{background-color:var(--sd-color-black) !important}.sd-bg-text-black{color:var(--sd-color-black-text) !important}button.sd-bg-black:focus,button.sd-bg-black:hover{background-color:var(--sd-color-black-highlight) !important}a.sd-bg-black:focus,a.sd-bg-black:hover{background-color:var(--sd-color-black-highlight) !important}.sd-bg-white{background-color:var(--sd-color-white) !important}.sd-bg-text-white{color:var(--sd-color-white-text) !important}button.sd-bg-white:focus,button.sd-bg-white:hover{background-color:var(--sd-color-white-highlight) !important}a.sd-bg-white:focus,a.sd-bg-white:hover{background-color:var(--sd-color-white-highlight) !important}.sd-text-primary,.sd-text-primary>p{color:var(--sd-color-primary) !important}a.sd-text-primary:focus,a.sd-text-primary:hover{color:var(--sd-color-primary-highlight) !important}.sd-text-secondary,.sd-text-secondary>p{color:var(--sd-color-secondary) !important}a.sd-text-secondary:focus,a.sd-text-secondary:hover{color:var(--sd-color-secondary-highlight) !important}.sd-text-success,.sd-text-success>p{color:var(--sd-color-success) !important}a.sd-text-success:focus,a.sd-text-success:hover{color:var(--sd-color-success-highlight) !important}.sd-text-info,.sd-text-info>p{color:var(--sd-color-info) !important}a.sd-text-info:focus,a.sd-text-info:hover{color:var(--sd-color-info-highlight) !important}.sd-text-warning,.sd-text-warning>p{color:var(--sd-color-warning) !important}a.sd-text-warning:focus,a.sd-text-warning:hover{color:var(--sd-color-warning-highlight) !important}.sd-text-danger,.sd-text-danger>p{color:var(--sd-color-danger) !important}a.sd-text-danger:focus,a.sd-text-danger:hover{color:var(--sd-color-danger-highlight) !important}.sd-text-light,.sd-text-light>p{color:var(--sd-color-light) !important}a.sd-text-light:focus,a.sd-text-light:hover{color:var(--sd-color-light-highlight) !important}.sd-text-muted,.sd-text-muted>p{color:var(--sd-color-muted) !important}a.sd-text-muted:focus,a.sd-text-muted:hover{color:var(--sd-color-muted-highlight) !important}.sd-text-dark,.sd-text-dark>p{color:var(--sd-color-dark) !important}a.sd-text-dark:focus,a.sd-text-dark:hover{color:var(--sd-color-dark-highlight) !important}.sd-text-black,.sd-text-black>p{color:var(--sd-color-black) !important}a.sd-text-black:focus,a.sd-text-black:hover{color:var(--sd-color-black-highlight) !important}.sd-text-white,.sd-text-white>p{color:var(--sd-color-white) !important}a.sd-text-white:focus,a.sd-text-white:hover{color:var(--sd-color-white-highlight) !important}.sd-outline-primary{border-color:var(--sd-color-primary) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-primary:focus,a.sd-outline-primary:hover{border-color:var(--sd-color-primary-highlight) !important}.sd-outline-secondary{border-color:var(--sd-color-secondary) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-secondary:focus,a.sd-outline-secondary:hover{border-color:var(--sd-color-secondary-highlight) !important}.sd-outline-success{border-color:var(--sd-color-success) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-success:focus,a.sd-outline-success:hover{border-color:var(--sd-color-success-highlight) !important}.sd-outline-info{border-color:var(--sd-color-info) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-info:focus,a.sd-outline-info:hover{border-color:var(--sd-color-info-highlight) !important}.sd-outline-warning{border-color:var(--sd-color-warning) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-warning:focus,a.sd-outline-warning:hover{border-color:var(--sd-color-warning-highlight) !important}.sd-outline-danger{border-color:var(--sd-color-danger) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-danger:focus,a.sd-outline-danger:hover{border-color:var(--sd-color-danger-highlight) !important}.sd-outline-light{border-color:var(--sd-color-light) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-light:focus,a.sd-outline-light:hover{border-color:var(--sd-color-light-highlight) !important}.sd-outline-muted{border-color:var(--sd-color-muted) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-muted:focus,a.sd-outline-muted:hover{border-color:var(--sd-color-muted-highlight) !important}.sd-outline-dark{border-color:var(--sd-color-dark) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-dark:focus,a.sd-outline-dark:hover{border-color:var(--sd-color-dark-highlight) !important}.sd-outline-black{border-color:var(--sd-color-black) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-black:focus,a.sd-outline-black:hover{border-color:var(--sd-color-black-highlight) !important}.sd-outline-white{border-color:var(--sd-color-white) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-white:focus,a.sd-outline-white:hover{border-color:var(--sd-color-white-highlight) !important}.sd-bg-transparent{background-color:transparent !important}.sd-outline-transparent{border-color:transparent !important}.sd-text-transparent{color:transparent !important}.sd-p-0{padding:0 !important}.sd-pt-0,.sd-py-0{padding-top:0 !important}.sd-pr-0,.sd-px-0{padding-right:0 !important}.sd-pb-0,.sd-py-0{padding-bottom:0 !important}.sd-pl-0,.sd-px-0{padding-left:0 !important}.sd-p-1{padding:.25rem !important}.sd-pt-1,.sd-py-1{padding-top:.25rem !important}.sd-pr-1,.sd-px-1{padding-right:.25rem !important}.sd-pb-1,.sd-py-1{padding-bottom:.25rem !important}.sd-pl-1,.sd-px-1{padding-left:.25rem !important}.sd-p-2{padding:.5rem !important}.sd-pt-2,.sd-py-2{padding-top:.5rem !important}.sd-pr-2,.sd-px-2{padding-right:.5rem !important}.sd-pb-2,.sd-py-2{padding-bottom:.5rem !important}.sd-pl-2,.sd-px-2{padding-left:.5rem !important}.sd-p-3{padding:1rem !important}.sd-pt-3,.sd-py-3{padding-top:1rem !important}.sd-pr-3,.sd-px-3{padding-right:1rem !important}.sd-pb-3,.sd-py-3{padding-bottom:1rem !important}.sd-pl-3,.sd-px-3{padding-left:1rem !important}.sd-p-4{padding:1.5rem !important}.sd-pt-4,.sd-py-4{padding-top:1.5rem !important}.sd-pr-4,.sd-px-4{padding-right:1.5rem !important}.sd-pb-4,.sd-py-4{padding-bottom:1.5rem !important}.sd-pl-4,.sd-px-4{padding-left:1.5rem !important}.sd-p-5{padding:3rem !important}.sd-pt-5,.sd-py-5{padding-top:3rem !important}.sd-pr-5,.sd-px-5{padding-right:3rem !important}.sd-pb-5,.sd-py-5{padding-bottom:3rem !important}.sd-pl-5,.sd-px-5{padding-left:3rem !important}.sd-m-auto{margin:auto !important}.sd-mt-auto,.sd-my-auto{margin-top:auto !important}.sd-mr-auto,.sd-mx-auto{margin-right:auto !important}.sd-mb-auto,.sd-my-auto{margin-bottom:auto !important}.sd-ml-auto,.sd-mx-auto{margin-left:auto !important}.sd-m-0{margin:0 !important}.sd-mt-0,.sd-my-0{margin-top:0 !important}.sd-mr-0,.sd-mx-0{margin-right:0 !important}.sd-mb-0,.sd-my-0{margin-bottom:0 !important}.sd-ml-0,.sd-mx-0{margin-left:0 !important}.sd-m-1{margin:.25rem !important}.sd-mt-1,.sd-my-1{margin-top:.25rem !important}.sd-mr-1,.sd-mx-1{margin-right:.25rem !important}.sd-mb-1,.sd-my-1{margin-bottom:.25rem !important}.sd-ml-1,.sd-mx-1{margin-left:.25rem !important}.sd-m-2{margin:.5rem !important}.sd-mt-2,.sd-my-2{margin-top:.5rem !important}.sd-mr-2,.sd-mx-2{margin-right:.5rem !important}.sd-mb-2,.sd-my-2{margin-bottom:.5rem !important}.sd-ml-2,.sd-mx-2{margin-left:.5rem !important}.sd-m-3{margin:1rem !important}.sd-mt-3,.sd-my-3{margin-top:1rem !important}.sd-mr-3,.sd-mx-3{margin-right:1rem !important}.sd-mb-3,.sd-my-3{margin-bottom:1rem !important}.sd-ml-3,.sd-mx-3{margin-left:1rem !important}.sd-m-4{margin:1.5rem !important}.sd-mt-4,.sd-my-4{margin-top:1.5rem !important}.sd-mr-4,.sd-mx-4{margin-right:1.5rem !important}.sd-mb-4,.sd-my-4{margin-bottom:1.5rem !important}.sd-ml-4,.sd-mx-4{margin-left:1.5rem !important}.sd-m-5{margin:3rem !important}.sd-mt-5,.sd-my-5{margin-top:3rem !important}.sd-mr-5,.sd-mx-5{margin-right:3rem !important}.sd-mb-5,.sd-my-5{margin-bottom:3rem !important}.sd-ml-5,.sd-mx-5{margin-left:3rem !important}.sd-w-25{width:25% !important}.sd-w-50{width:50% !important}.sd-w-75{width:75% !important}.sd-w-100{width:100% !important}.sd-w-auto{width:auto !important}.sd-h-25{height:25% !important}.sd-h-50{height:50% !important}.sd-h-75{height:75% !important}.sd-h-100{height:100% !important}.sd-h-auto{height:auto !important}.sd-d-none{display:none !important}.sd-d-inline{display:inline !important}.sd-d-inline-block{display:inline-block !important}.sd-d-block{display:block !important}.sd-d-grid{display:grid !important}.sd-d-flex-row{display:-ms-flexbox !important;display:flex !important;flex-direction:row !important}.sd-d-flex-column{display:-ms-flexbox !important;display:flex !important;flex-direction:column !important}.sd-d-inline-flex{display:-ms-inline-flexbox !important;display:inline-flex !important}@media(min-width: 576px){.sd-d-sm-none{display:none !important}.sd-d-sm-inline{display:inline !important}.sd-d-sm-inline-block{display:inline-block !important}.sd-d-sm-block{display:block !important}.sd-d-sm-grid{display:grid !important}.sd-d-sm-flex{display:-ms-flexbox !important;display:flex !important}.sd-d-sm-inline-flex{display:-ms-inline-flexbox !important;display:inline-flex !important}}@media(min-width: 768px){.sd-d-md-none{display:none !important}.sd-d-md-inline{display:inline !important}.sd-d-md-inline-block{display:inline-block !important}.sd-d-md-block{display:block !important}.sd-d-md-grid{display:grid !important}.sd-d-md-flex{display:-ms-flexbox !important;display:flex !important}.sd-d-md-inline-flex{display:-ms-inline-flexbox !important;display:inline-flex !important}}@media(min-width: 992px){.sd-d-lg-none{display:none !important}.sd-d-lg-inline{display:inline !important}.sd-d-lg-inline-block{display:inline-block !important}.sd-d-lg-block{display:block !important}.sd-d-lg-grid{display:grid !important}.sd-d-lg-flex{display:-ms-flexbox !important;display:flex !important}.sd-d-lg-inline-flex{display:-ms-inline-flexbox !important;display:inline-flex !important}}@media(min-width: 1200px){.sd-d-xl-none{display:none !important}.sd-d-xl-inline{display:inline !important}.sd-d-xl-inline-block{display:inline-block !important}.sd-d-xl-block{display:block !important}.sd-d-xl-grid{display:grid !important}.sd-d-xl-flex{display:-ms-flexbox !important;display:flex !important}.sd-d-xl-inline-flex{display:-ms-inline-flexbox !important;display:inline-flex !important}}.sd-align-major-start{justify-content:flex-start !important}.sd-align-major-end{justify-content:flex-end !important}.sd-align-major-center{justify-content:center !important}.sd-align-major-justify{justify-content:space-between !important}.sd-align-major-spaced{justify-content:space-evenly !important}.sd-align-minor-start{align-items:flex-start !important}.sd-align-minor-end{align-items:flex-end !important}.sd-align-minor-center{align-items:center !important}.sd-align-minor-stretch{align-items:stretch !important}.sd-text-justify{text-align:justify !important}.sd-text-left{text-align:left !important}.sd-text-right{text-align:right !important}.sd-text-center{text-align:center !important}.sd-font-weight-light{font-weight:300 !important}.sd-font-weight-lighter{font-weight:lighter !important}.sd-font-weight-normal{font-weight:400 !important}.sd-font-weight-bold{font-weight:700 !important}.sd-font-weight-bolder{font-weight:bolder !important}.sd-font-italic{font-style:italic !important}.sd-text-decoration-none{text-decoration:none !important}.sd-text-lowercase{text-transform:lowercase !important}.sd-text-uppercase{text-transform:uppercase !important}.sd-text-capitalize{text-transform:capitalize !important}.sd-text-wrap{white-space:normal !important}.sd-text-nowrap{white-space:nowrap !important}.sd-text-truncate{overflow:hidden;text-overflow:ellipsis;white-space:nowrap}.sd-fs-1,.sd-fs-1>p{font-size:calc(1.375rem + 1.5vw) !important;line-height:unset !important}.sd-fs-2,.sd-fs-2>p{font-size:calc(1.325rem + 0.9vw) !important;line-height:unset !important}.sd-fs-3,.sd-fs-3>p{font-size:calc(1.3rem + 0.6vw) !important;line-height:unset !important}.sd-fs-4,.sd-fs-4>p{font-size:calc(1.275rem + 0.3vw) !important;line-height:unset !important}.sd-fs-5,.sd-fs-5>p{font-size:1.25rem !important;line-height:unset !important}.sd-fs-6,.sd-fs-6>p{font-size:1rem !important;line-height:unset !important}.sd-border-0{border:0 solid !important}.sd-border-top-0{border-top:0 solid !important}.sd-border-bottom-0{border-bottom:0 solid !important}.sd-border-right-0{border-right:0 solid !important}.sd-border-left-0{border-left:0 solid !important}.sd-border-1{border:1px solid !important}.sd-border-top-1{border-top:1px solid !important}.sd-border-bottom-1{border-bottom:1px solid !important}.sd-border-right-1{border-right:1px solid !important}.sd-border-left-1{border-left:1px solid !important}.sd-border-2{border:2px solid !important}.sd-border-top-2{border-top:2px solid !important}.sd-border-bottom-2{border-bottom:2px solid !important}.sd-border-right-2{border-right:2px solid !important}.sd-border-left-2{border-left:2px solid !important}.sd-border-3{border:3px solid !important}.sd-border-top-3{border-top:3px solid !important}.sd-border-bottom-3{border-bottom:3px solid !important}.sd-border-right-3{border-right:3px solid !important}.sd-border-left-3{border-left:3px solid !important}.sd-border-4{border:4px solid !important}.sd-border-top-4{border-top:4px solid !important}.sd-border-bottom-4{border-bottom:4px solid !important}.sd-border-right-4{border-right:4px solid !important}.sd-border-left-4{border-left:4px solid !important}.sd-border-5{border:5px solid !important}.sd-border-top-5{border-top:5px solid !important}.sd-border-bottom-5{border-bottom:5px solid !important}.sd-border-right-5{border-right:5px solid !important}.sd-border-left-5{border-left:5px solid !important}.sd-rounded-0{border-radius:0 !important}.sd-rounded-1{border-radius:.2rem !important}.sd-rounded-2{border-radius:.3rem !important}.sd-rounded-3{border-radius:.5rem !important}.sd-rounded-pill{border-radius:50rem !important}.sd-rounded-circle{border-radius:50% !important}.shadow-none{box-shadow:none !important}.sd-shadow-sm{box-shadow:0 .125rem .25rem var(--sd-color-shadow) !important}.sd-shadow-md{box-shadow:0 .5rem 1rem var(--sd-color-shadow) !important}.sd-shadow-lg{box-shadow:0 1rem 3rem var(--sd-color-shadow) !important}@keyframes sd-slide-from-left{0%{transform:translateX(-100%)}100%{transform:translateX(0)}}@keyframes sd-slide-from-right{0%{transform:translateX(200%)}100%{transform:translateX(0)}}@keyframes sd-grow100{0%{transform:scale(0);opacity:.5}100%{transform:scale(1);opacity:1}}@keyframes sd-grow50{0%{transform:scale(0.5);opacity:.5}100%{transform:scale(1);opacity:1}}@keyframes sd-grow50-rot20{0%{transform:scale(0.5) rotateZ(-20deg);opacity:.5}75%{transform:scale(1) rotateZ(5deg);opacity:1}95%{transform:scale(1) rotateZ(-1deg);opacity:1}100%{transform:scale(1) rotateZ(0);opacity:1}}.sd-animate-slide-from-left{animation:1s ease-out 0s 1 normal none running sd-slide-from-left}.sd-animate-slide-from-right{animation:1s ease-out 0s 1 normal none running sd-slide-from-right}.sd-animate-grow100{animation:1s ease-out 0s 1 normal none running sd-grow100}.sd-animate-grow50{animation:1s ease-out 0s 1 normal none running sd-grow50}.sd-animate-grow50-rot20{animation:1s ease-out 0s 1 normal none running sd-grow50-rot20}.sd-badge{display:inline-block;padding:.35em .65em;font-size:.75em;font-weight:700;line-height:1;text-align:center;white-space:nowrap;vertical-align:baseline;border-radius:.25rem}.sd-badge:empty{display:none}a.sd-badge{text-decoration:none}.sd-btn .sd-badge{position:relative;top:-1px}.sd-btn{background-color:transparent;border:1px solid transparent;border-radius:.25rem;cursor:pointer;display:inline-block;font-weight:400;font-size:1rem;line-height:1.5;padding:.375rem .75rem;text-align:center;text-decoration:none;transition:color .15s ease-in-out,background-color .15s ease-in-out,border-color .15s ease-in-out,box-shadow .15s ease-in-out;vertical-align:middle;user-select:none;-moz-user-select:none;-ms-user-select:none;-webkit-user-select:none}.sd-btn:hover{text-decoration:none}@media(prefers-reduced-motion: reduce){.sd-btn{transition:none}}.sd-btn-primary,.sd-btn-outline-primary:hover,.sd-btn-outline-primary:focus{color:var(--sd-color-primary-text) !important;background-color:var(--sd-color-primary) !important;border-color:var(--sd-color-primary) !important;border-width:1px !important;border-style:solid !important}.sd-btn-primary:hover,.sd-btn-primary:focus{color:var(--sd-color-primary-text) !important;background-color:var(--sd-color-primary-highlight) !important;border-color:var(--sd-color-primary-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-primary{color:var(--sd-color-primary) !important;border-color:var(--sd-color-primary) !important;border-width:1px !important;border-style:solid !important}.sd-btn-secondary,.sd-btn-outline-secondary:hover,.sd-btn-outline-secondary:focus{color:var(--sd-color-secondary-text) !important;background-color:var(--sd-color-secondary) !important;border-color:var(--sd-color-secondary) !important;border-width:1px !important;border-style:solid !important}.sd-btn-secondary:hover,.sd-btn-secondary:focus{color:var(--sd-color-secondary-text) !important;background-color:var(--sd-color-secondary-highlight) !important;border-color:var(--sd-color-secondary-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-secondary{color:var(--sd-color-secondary) !important;border-color:var(--sd-color-secondary) !important;border-width:1px !important;border-style:solid !important}.sd-btn-success,.sd-btn-outline-success:hover,.sd-btn-outline-success:focus{color:var(--sd-color-success-text) !important;background-color:var(--sd-color-success) !important;border-color:var(--sd-color-success) !important;border-width:1px !important;border-style:solid !important}.sd-btn-success:hover,.sd-btn-success:focus{color:var(--sd-color-success-text) !important;background-color:var(--sd-color-success-highlight) !important;border-color:var(--sd-color-success-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-success{color:var(--sd-color-success) !important;border-color:var(--sd-color-success) !important;border-width:1px !important;border-style:solid !important}.sd-btn-info,.sd-btn-outline-info:hover,.sd-btn-outline-info:focus{color:var(--sd-color-info-text) !important;background-color:var(--sd-color-info) !important;border-color:var(--sd-color-info) !important;border-width:1px !important;border-style:solid !important}.sd-btn-info:hover,.sd-btn-info:focus{color:var(--sd-color-info-text) !important;background-color:var(--sd-color-info-highlight) !important;border-color:var(--sd-color-info-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-info{color:var(--sd-color-info) !important;border-color:var(--sd-color-info) !important;border-width:1px !important;border-style:solid !important}.sd-btn-warning,.sd-btn-outline-warning:hover,.sd-btn-outline-warning:focus{color:var(--sd-color-warning-text) !important;background-color:var(--sd-color-warning) !important;border-color:var(--sd-color-warning) !important;border-width:1px !important;border-style:solid !important}.sd-btn-warning:hover,.sd-btn-warning:focus{color:var(--sd-color-warning-text) !important;background-color:var(--sd-color-warning-highlight) !important;border-color:var(--sd-color-warning-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-warning{color:var(--sd-color-warning) !important;border-color:var(--sd-color-warning) !important;border-width:1px !important;border-style:solid !important}.sd-btn-danger,.sd-btn-outline-danger:hover,.sd-btn-outline-danger:focus{color:var(--sd-color-danger-text) !important;background-color:var(--sd-color-danger) !important;border-color:var(--sd-color-danger) !important;border-width:1px !important;border-style:solid !important}.sd-btn-danger:hover,.sd-btn-danger:focus{color:var(--sd-color-danger-text) !important;background-color:var(--sd-color-danger-highlight) !important;border-color:var(--sd-color-danger-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-danger{color:var(--sd-color-danger) !important;border-color:var(--sd-color-danger) !important;border-width:1px !important;border-style:solid !important}.sd-btn-light,.sd-btn-outline-light:hover,.sd-btn-outline-light:focus{color:var(--sd-color-light-text) !important;background-color:var(--sd-color-light) !important;border-color:var(--sd-color-light) !important;border-width:1px !important;border-style:solid !important}.sd-btn-light:hover,.sd-btn-light:focus{color:var(--sd-color-light-text) !important;background-color:var(--sd-color-light-highlight) !important;border-color:var(--sd-color-light-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-light{color:var(--sd-color-light) !important;border-color:var(--sd-color-light) !important;border-width:1px !important;border-style:solid !important}.sd-btn-muted,.sd-btn-outline-muted:hover,.sd-btn-outline-muted:focus{color:var(--sd-color-muted-text) !important;background-color:var(--sd-color-muted) !important;border-color:var(--sd-color-muted) !important;border-width:1px !important;border-style:solid !important}.sd-btn-muted:hover,.sd-btn-muted:focus{color:var(--sd-color-muted-text) !important;background-color:var(--sd-color-muted-highlight) !important;border-color:var(--sd-color-muted-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-muted{color:var(--sd-color-muted) !important;border-color:var(--sd-color-muted) !important;border-width:1px !important;border-style:solid !important}.sd-btn-dark,.sd-btn-outline-dark:hover,.sd-btn-outline-dark:focus{color:var(--sd-color-dark-text) !important;background-color:var(--sd-color-dark) !important;border-color:var(--sd-color-dark) !important;border-width:1px !important;border-style:solid !important}.sd-btn-dark:hover,.sd-btn-dark:focus{color:var(--sd-color-dark-text) !important;background-color:var(--sd-color-dark-highlight) !important;border-color:var(--sd-color-dark-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-dark{color:var(--sd-color-dark) !important;border-color:var(--sd-color-dark) !important;border-width:1px !important;border-style:solid !important}.sd-btn-black,.sd-btn-outline-black:hover,.sd-btn-outline-black:focus{color:var(--sd-color-black-text) !important;background-color:var(--sd-color-black) !important;border-color:var(--sd-color-black) !important;border-width:1px !important;border-style:solid !important}.sd-btn-black:hover,.sd-btn-black:focus{color:var(--sd-color-black-text) !important;background-color:var(--sd-color-black-highlight) !important;border-color:var(--sd-color-black-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-black{color:var(--sd-color-black) !important;border-color:var(--sd-color-black) !important;border-width:1px !important;border-style:solid !important}.sd-btn-white,.sd-btn-outline-white:hover,.sd-btn-outline-white:focus{color:var(--sd-color-white-text) !important;background-color:var(--sd-color-white) !important;border-color:var(--sd-color-white) !important;border-width:1px !important;border-style:solid !important}.sd-btn-white:hover,.sd-btn-white:focus{color:var(--sd-color-white-text) !important;background-color:var(--sd-color-white-highlight) !important;border-color:var(--sd-color-white-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-white{color:var(--sd-color-white) !important;border-color:var(--sd-color-white) !important;border-width:1px !important;border-style:solid !important}.sd-stretched-link::after{position:absolute;top:0;right:0;bottom:0;left:0;z-index:1;content:""}.sd-hide-link-text{font-size:0}.sd-octicon,.sd-material-icon{display:inline-block;fill:currentColor;vertical-align:middle}.sd-avatar-xs{border-radius:50%;object-fit:cover;object-position:center;width:1rem;height:1rem}.sd-avatar-sm{border-radius:50%;object-fit:cover;object-position:center;width:3rem;height:3rem}.sd-avatar-md{border-radius:50%;object-fit:cover;object-position:center;width:5rem;height:5rem}.sd-avatar-lg{border-radius:50%;object-fit:cover;object-position:center;width:7rem;height:7rem}.sd-avatar-xl{border-radius:50%;object-fit:cover;object-position:center;width:10rem;height:10rem}.sd-avatar-inherit{border-radius:50%;object-fit:cover;object-position:center;width:inherit;height:inherit}.sd-avatar-initial{border-radius:50%;object-fit:cover;object-position:center;width:initial;height:initial}.sd-card{background-clip:border-box;background-color:var(--sd-color-card-background);border:1px solid var(--sd-color-card-border);border-radius:.25rem;color:var(--sd-color-card-text);display:-ms-flexbox;display:flex;-ms-flex-direction:column;flex-direction:column;min-width:0;position:relative;word-wrap:break-word}.sd-card>hr{margin-left:0;margin-right:0}.sd-card-hover:hover{border-color:var(--sd-color-card-border-hover);transform:scale(1.01)}.sd-card-body{-ms-flex:1 1 auto;flex:1 1 auto;padding:1rem 1rem}.sd-card-title{margin-bottom:.5rem}.sd-card-subtitle{margin-top:-0.25rem;margin-bottom:0}.sd-card-text:last-child{margin-bottom:0}.sd-card-link:hover{text-decoration:none}.sd-card-link+.card-link{margin-left:1rem}.sd-card-header{padding:.5rem 1rem;margin-bottom:0;background-color:var(--sd-color-card-header);border-bottom:1px solid var(--sd-color-card-border)}.sd-card-header:first-child{border-radius:calc(0.25rem - 1px) calc(0.25rem - 1px) 0 0}.sd-card-footer{padding:.5rem 1rem;background-color:var(--sd-color-card-footer);border-top:1px solid var(--sd-color-card-border)}.sd-card-footer:last-child{border-radius:0 0 calc(0.25rem - 1px) calc(0.25rem - 1px)}.sd-card-header-tabs{margin-right:-0.5rem;margin-bottom:-0.5rem;margin-left:-0.5rem;border-bottom:0}.sd-card-header-pills{margin-right:-0.5rem;margin-left:-0.5rem}.sd-card-img-overlay{position:absolute;top:0;right:0;bottom:0;left:0;padding:1rem;border-radius:calc(0.25rem - 1px)}.sd-card-img,.sd-card-img-bottom,.sd-card-img-top{width:100%}.sd-card-img,.sd-card-img-top{border-top-left-radius:calc(0.25rem - 1px);border-top-right-radius:calc(0.25rem - 1px)}.sd-card-img,.sd-card-img-bottom{border-bottom-left-radius:calc(0.25rem - 1px);border-bottom-right-radius:calc(0.25rem - 1px)}.sd-cards-carousel{width:100%;display:flex;flex-wrap:nowrap;-ms-flex-direction:row;flex-direction:row;overflow-x:hidden;scroll-snap-type:x mandatory}.sd-cards-carousel.sd-show-scrollbar{overflow-x:auto}.sd-cards-carousel:hover,.sd-cards-carousel:focus{overflow-x:auto}.sd-cards-carousel>.sd-card{flex-shrink:0;scroll-snap-align:start}.sd-cards-carousel>.sd-card:not(:last-child){margin-right:3px}.sd-card-cols-1>.sd-card{width:90%}.sd-card-cols-2>.sd-card{width:45%}.sd-card-cols-3>.sd-card{width:30%}.sd-card-cols-4>.sd-card{width:22.5%}.sd-card-cols-5>.sd-card{width:18%}.sd-card-cols-6>.sd-card{width:15%}.sd-card-cols-7>.sd-card{width:12.8571428571%}.sd-card-cols-8>.sd-card{width:11.25%}.sd-card-cols-9>.sd-card{width:10%}.sd-card-cols-10>.sd-card{width:9%}.sd-card-cols-11>.sd-card{width:8.1818181818%}.sd-card-cols-12>.sd-card{width:7.5%}.sd-container,.sd-container-fluid,.sd-container-lg,.sd-container-md,.sd-container-sm,.sd-container-xl{margin-left:auto;margin-right:auto;padding-left:var(--sd-gutter-x, 0.75rem);padding-right:var(--sd-gutter-x, 0.75rem);width:100%}@media(min-width: 576px){.sd-container-sm,.sd-container{max-width:540px}}@media(min-width: 768px){.sd-container-md,.sd-container-sm,.sd-container{max-width:720px}}@media(min-width: 992px){.sd-container-lg,.sd-container-md,.sd-container-sm,.sd-container{max-width:960px}}@media(min-width: 1200px){.sd-container-xl,.sd-container-lg,.sd-container-md,.sd-container-sm,.sd-container{max-width:1140px}}.sd-row{--sd-gutter-x: 1.5rem;--sd-gutter-y: 0;display:-ms-flexbox;display:flex;-ms-flex-wrap:wrap;flex-wrap:wrap;margin-top:calc(var(--sd-gutter-y) * -1);margin-right:calc(var(--sd-gutter-x) * -0.5);margin-left:calc(var(--sd-gutter-x) * -0.5)}.sd-row>*{box-sizing:border-box;flex-shrink:0;width:100%;max-width:100%;padding-right:calc(var(--sd-gutter-x) * 0.5);padding-left:calc(var(--sd-gutter-x) * 0.5);margin-top:var(--sd-gutter-y)}.sd-col{flex:1 0 0%;-ms-flex:1 0 0%}.sd-row-cols-auto>*{flex:0 0 auto;width:auto}.sd-row-cols-1>*{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-row-cols-2>*{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-row-cols-3>*{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-row-cols-4>*{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-row-cols-5>*{flex:0 0 auto;-ms-flex:0 0 auto;width:20%}.sd-row-cols-6>*{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-row-cols-7>*{flex:0 0 auto;-ms-flex:0 0 auto;width:14.2857142857%}.sd-row-cols-8>*{flex:0 0 auto;-ms-flex:0 0 auto;width:12.5%}.sd-row-cols-9>*{flex:0 0 auto;-ms-flex:0 0 auto;width:11.1111111111%}.sd-row-cols-10>*{flex:0 0 auto;-ms-flex:0 0 auto;width:10%}.sd-row-cols-11>*{flex:0 0 auto;-ms-flex:0 0 auto;width:9.0909090909%}.sd-row-cols-12>*{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}@media(min-width: 576px){.sd-col-sm{flex:1 0 0%;-ms-flex:1 0 0%}.sd-row-cols-sm-auto{flex:1 0 auto;-ms-flex:1 0 auto;width:100%}.sd-row-cols-sm-1>*{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-row-cols-sm-2>*{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-row-cols-sm-3>*{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-row-cols-sm-4>*{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-row-cols-sm-5>*{flex:0 0 auto;-ms-flex:0 0 auto;width:20%}.sd-row-cols-sm-6>*{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-row-cols-sm-7>*{flex:0 0 auto;-ms-flex:0 0 auto;width:14.2857142857%}.sd-row-cols-sm-8>*{flex:0 0 auto;-ms-flex:0 0 auto;width:12.5%}.sd-row-cols-sm-9>*{flex:0 0 auto;-ms-flex:0 0 auto;width:11.1111111111%}.sd-row-cols-sm-10>*{flex:0 0 auto;-ms-flex:0 0 auto;width:10%}.sd-row-cols-sm-11>*{flex:0 0 auto;-ms-flex:0 0 auto;width:9.0909090909%}.sd-row-cols-sm-12>*{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}}@media(min-width: 768px){.sd-col-md{flex:1 0 0%;-ms-flex:1 0 0%}.sd-row-cols-md-auto{flex:1 0 auto;-ms-flex:1 0 auto;width:100%}.sd-row-cols-md-1>*{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-row-cols-md-2>*{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-row-cols-md-3>*{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-row-cols-md-4>*{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-row-cols-md-5>*{flex:0 0 auto;-ms-flex:0 0 auto;width:20%}.sd-row-cols-md-6>*{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-row-cols-md-7>*{flex:0 0 auto;-ms-flex:0 0 auto;width:14.2857142857%}.sd-row-cols-md-8>*{flex:0 0 auto;-ms-flex:0 0 auto;width:12.5%}.sd-row-cols-md-9>*{flex:0 0 auto;-ms-flex:0 0 auto;width:11.1111111111%}.sd-row-cols-md-10>*{flex:0 0 auto;-ms-flex:0 0 auto;width:10%}.sd-row-cols-md-11>*{flex:0 0 auto;-ms-flex:0 0 auto;width:9.0909090909%}.sd-row-cols-md-12>*{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}}@media(min-width: 992px){.sd-col-lg{flex:1 0 0%;-ms-flex:1 0 0%}.sd-row-cols-lg-auto{flex:1 0 auto;-ms-flex:1 0 auto;width:100%}.sd-row-cols-lg-1>*{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-row-cols-lg-2>*{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-row-cols-lg-3>*{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-row-cols-lg-4>*{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-row-cols-lg-5>*{flex:0 0 auto;-ms-flex:0 0 auto;width:20%}.sd-row-cols-lg-6>*{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-row-cols-lg-7>*{flex:0 0 auto;-ms-flex:0 0 auto;width:14.2857142857%}.sd-row-cols-lg-8>*{flex:0 0 auto;-ms-flex:0 0 auto;width:12.5%}.sd-row-cols-lg-9>*{flex:0 0 auto;-ms-flex:0 0 auto;width:11.1111111111%}.sd-row-cols-lg-10>*{flex:0 0 auto;-ms-flex:0 0 auto;width:10%}.sd-row-cols-lg-11>*{flex:0 0 auto;-ms-flex:0 0 auto;width:9.0909090909%}.sd-row-cols-lg-12>*{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}}@media(min-width: 1200px){.sd-col-xl{flex:1 0 0%;-ms-flex:1 0 0%}.sd-row-cols-xl-auto{flex:1 0 auto;-ms-flex:1 0 auto;width:100%}.sd-row-cols-xl-1>*{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-row-cols-xl-2>*{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-row-cols-xl-3>*{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-row-cols-xl-4>*{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-row-cols-xl-5>*{flex:0 0 auto;-ms-flex:0 0 auto;width:20%}.sd-row-cols-xl-6>*{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-row-cols-xl-7>*{flex:0 0 auto;-ms-flex:0 0 auto;width:14.2857142857%}.sd-row-cols-xl-8>*{flex:0 0 auto;-ms-flex:0 0 auto;width:12.5%}.sd-row-cols-xl-9>*{flex:0 0 auto;-ms-flex:0 0 auto;width:11.1111111111%}.sd-row-cols-xl-10>*{flex:0 0 auto;-ms-flex:0 0 auto;width:10%}.sd-row-cols-xl-11>*{flex:0 0 auto;-ms-flex:0 0 auto;width:9.0909090909%}.sd-row-cols-xl-12>*{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}}.sd-col-auto{flex:0 0 auto;-ms-flex:0 0 auto;width:auto}.sd-col-1{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}.sd-col-2{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-col-3{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-col-4{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-col-5{flex:0 0 auto;-ms-flex:0 0 auto;width:41.6666666667%}.sd-col-6{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-col-7{flex:0 0 auto;-ms-flex:0 0 auto;width:58.3333333333%}.sd-col-8{flex:0 0 auto;-ms-flex:0 0 auto;width:66.6666666667%}.sd-col-9{flex:0 0 auto;-ms-flex:0 0 auto;width:75%}.sd-col-10{flex:0 0 auto;-ms-flex:0 0 auto;width:83.3333333333%}.sd-col-11{flex:0 0 auto;-ms-flex:0 0 auto;width:91.6666666667%}.sd-col-12{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-g-0,.sd-gy-0{--sd-gutter-y: 0}.sd-g-0,.sd-gx-0{--sd-gutter-x: 0}.sd-g-1,.sd-gy-1{--sd-gutter-y: 0.25rem}.sd-g-1,.sd-gx-1{--sd-gutter-x: 0.25rem}.sd-g-2,.sd-gy-2{--sd-gutter-y: 0.5rem}.sd-g-2,.sd-gx-2{--sd-gutter-x: 0.5rem}.sd-g-3,.sd-gy-3{--sd-gutter-y: 1rem}.sd-g-3,.sd-gx-3{--sd-gutter-x: 1rem}.sd-g-4,.sd-gy-4{--sd-gutter-y: 1.5rem}.sd-g-4,.sd-gx-4{--sd-gutter-x: 1.5rem}.sd-g-5,.sd-gy-5{--sd-gutter-y: 3rem}.sd-g-5,.sd-gx-5{--sd-gutter-x: 3rem}@media(min-width: 576px){.sd-col-sm-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-sm-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-sm-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-sm-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-sm-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-sm-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-sm-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-sm-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-sm-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-sm-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-sm-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-sm-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-sm-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-sm-0,.sd-gy-sm-0{--sd-gutter-y: 0}.sd-g-sm-0,.sd-gx-sm-0{--sd-gutter-x: 0}.sd-g-sm-1,.sd-gy-sm-1{--sd-gutter-y: 0.25rem}.sd-g-sm-1,.sd-gx-sm-1{--sd-gutter-x: 0.25rem}.sd-g-sm-2,.sd-gy-sm-2{--sd-gutter-y: 0.5rem}.sd-g-sm-2,.sd-gx-sm-2{--sd-gutter-x: 0.5rem}.sd-g-sm-3,.sd-gy-sm-3{--sd-gutter-y: 1rem}.sd-g-sm-3,.sd-gx-sm-3{--sd-gutter-x: 1rem}.sd-g-sm-4,.sd-gy-sm-4{--sd-gutter-y: 1.5rem}.sd-g-sm-4,.sd-gx-sm-4{--sd-gutter-x: 1.5rem}.sd-g-sm-5,.sd-gy-sm-5{--sd-gutter-y: 3rem}.sd-g-sm-5,.sd-gx-sm-5{--sd-gutter-x: 3rem}}@media(min-width: 768px){.sd-col-md-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-md-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-md-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-md-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-md-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-md-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-md-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-md-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-md-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-md-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-md-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-md-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-md-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-md-0,.sd-gy-md-0{--sd-gutter-y: 0}.sd-g-md-0,.sd-gx-md-0{--sd-gutter-x: 0}.sd-g-md-1,.sd-gy-md-1{--sd-gutter-y: 0.25rem}.sd-g-md-1,.sd-gx-md-1{--sd-gutter-x: 0.25rem}.sd-g-md-2,.sd-gy-md-2{--sd-gutter-y: 0.5rem}.sd-g-md-2,.sd-gx-md-2{--sd-gutter-x: 0.5rem}.sd-g-md-3,.sd-gy-md-3{--sd-gutter-y: 1rem}.sd-g-md-3,.sd-gx-md-3{--sd-gutter-x: 1rem}.sd-g-md-4,.sd-gy-md-4{--sd-gutter-y: 1.5rem}.sd-g-md-4,.sd-gx-md-4{--sd-gutter-x: 1.5rem}.sd-g-md-5,.sd-gy-md-5{--sd-gutter-y: 3rem}.sd-g-md-5,.sd-gx-md-5{--sd-gutter-x: 3rem}}@media(min-width: 992px){.sd-col-lg-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-lg-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-lg-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-lg-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-lg-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-lg-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-lg-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-lg-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-lg-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-lg-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-lg-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-lg-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-lg-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-lg-0,.sd-gy-lg-0{--sd-gutter-y: 0}.sd-g-lg-0,.sd-gx-lg-0{--sd-gutter-x: 0}.sd-g-lg-1,.sd-gy-lg-1{--sd-gutter-y: 0.25rem}.sd-g-lg-1,.sd-gx-lg-1{--sd-gutter-x: 0.25rem}.sd-g-lg-2,.sd-gy-lg-2{--sd-gutter-y: 0.5rem}.sd-g-lg-2,.sd-gx-lg-2{--sd-gutter-x: 0.5rem}.sd-g-lg-3,.sd-gy-lg-3{--sd-gutter-y: 1rem}.sd-g-lg-3,.sd-gx-lg-3{--sd-gutter-x: 1rem}.sd-g-lg-4,.sd-gy-lg-4{--sd-gutter-y: 1.5rem}.sd-g-lg-4,.sd-gx-lg-4{--sd-gutter-x: 1.5rem}.sd-g-lg-5,.sd-gy-lg-5{--sd-gutter-y: 3rem}.sd-g-lg-5,.sd-gx-lg-5{--sd-gutter-x: 3rem}}@media(min-width: 1200px){.sd-col-xl-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-xl-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-xl-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-xl-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-xl-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-xl-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-xl-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-xl-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-xl-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-xl-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-xl-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-xl-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-xl-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-xl-0,.sd-gy-xl-0{--sd-gutter-y: 0}.sd-g-xl-0,.sd-gx-xl-0{--sd-gutter-x: 0}.sd-g-xl-1,.sd-gy-xl-1{--sd-gutter-y: 0.25rem}.sd-g-xl-1,.sd-gx-xl-1{--sd-gutter-x: 0.25rem}.sd-g-xl-2,.sd-gy-xl-2{--sd-gutter-y: 0.5rem}.sd-g-xl-2,.sd-gx-xl-2{--sd-gutter-x: 0.5rem}.sd-g-xl-3,.sd-gy-xl-3{--sd-gutter-y: 1rem}.sd-g-xl-3,.sd-gx-xl-3{--sd-gutter-x: 1rem}.sd-g-xl-4,.sd-gy-xl-4{--sd-gutter-y: 1.5rem}.sd-g-xl-4,.sd-gx-xl-4{--sd-gutter-x: 1.5rem}.sd-g-xl-5,.sd-gy-xl-5{--sd-gutter-y: 3rem}.sd-g-xl-5,.sd-gx-xl-5{--sd-gutter-x: 3rem}}.sd-flex-row-reverse{flex-direction:row-reverse !important}details.sd-dropdown{position:relative;font-size:var(--sd-fontsize-dropdown)}details.sd-dropdown:hover{cursor:pointer}details.sd-dropdown .sd-summary-content{cursor:default}details.sd-dropdown summary.sd-summary-title{padding:.5em .6em .5em 1em;font-size:var(--sd-fontsize-dropdown-title);font-weight:var(--sd-fontweight-dropdown-title);user-select:none;-moz-user-select:none;-ms-user-select:none;-webkit-user-select:none;list-style:none;display:inline-flex;justify-content:space-between}details.sd-dropdown summary.sd-summary-title::-webkit-details-marker{display:none}details.sd-dropdown summary.sd-summary-title:focus{outline:none}details.sd-dropdown summary.sd-summary-title .sd-summary-icon{margin-right:.6em;display:inline-flex;align-items:center}details.sd-dropdown summary.sd-summary-title .sd-summary-icon svg{opacity:.8}details.sd-dropdown summary.sd-summary-title .sd-summary-text{flex-grow:1;line-height:1.5;padding-right:.5rem}details.sd-dropdown summary.sd-summary-title .sd-summary-state-marker{pointer-events:none;display:inline-flex;align-items:center}details.sd-dropdown summary.sd-summary-title .sd-summary-state-marker svg{opacity:.6}details.sd-dropdown summary.sd-summary-title:hover .sd-summary-state-marker svg{opacity:1;transform:scale(1.1)}details.sd-dropdown[open] summary .sd-octicon.no-title{visibility:hidden}details.sd-dropdown .sd-summary-chevron-right{transition:.25s}details.sd-dropdown[open]>.sd-summary-title .sd-summary-chevron-right{transform:rotate(90deg)}details.sd-dropdown[open]>.sd-summary-title .sd-summary-chevron-down{transform:rotate(180deg)}details.sd-dropdown:not([open]).sd-card{border:none}details.sd-dropdown:not([open])>.sd-card-header{border:1px solid var(--sd-color-card-border);border-radius:.25rem}details.sd-dropdown.sd-fade-in[open] summary~*{-moz-animation:sd-fade-in .5s ease-in-out;-webkit-animation:sd-fade-in .5s ease-in-out;animation:sd-fade-in .5s ease-in-out}details.sd-dropdown.sd-fade-in-slide-down[open] summary~*{-moz-animation:sd-fade-in .5s ease-in-out,sd-slide-down .5s ease-in-out;-webkit-animation:sd-fade-in .5s ease-in-out,sd-slide-down .5s ease-in-out;animation:sd-fade-in .5s ease-in-out,sd-slide-down .5s ease-in-out}.sd-col>.sd-dropdown{width:100%}.sd-summary-content>.sd-tab-set:first-child{margin-top:0}@keyframes sd-fade-in{0%{opacity:0}100%{opacity:1}}@keyframes sd-slide-down{0%{transform:translate(0, -10px)}100%{transform:translate(0, 0)}}.sd-tab-set{border-radius:.125rem;display:flex;flex-wrap:wrap;margin:1em 0;position:relative}.sd-tab-set>input{opacity:0;position:absolute}.sd-tab-set>input:checked+label{border-color:var(--sd-color-tabs-underline-active);color:var(--sd-color-tabs-label-active)}.sd-tab-set>input:checked+label+.sd-tab-content{display:block}.sd-tab-set>input:not(:checked)+label:hover{color:var(--sd-color-tabs-label-hover);border-color:var(--sd-color-tabs-underline-hover)}.sd-tab-set>input:focus+label{outline-style:auto}.sd-tab-set>input:not(.focus-visible)+label{outline:none;-webkit-tap-highlight-color:transparent}.sd-tab-set>label{border-bottom:.125rem solid transparent;margin-bottom:0;color:var(--sd-color-tabs-label-inactive);border-color:var(--sd-color-tabs-underline-inactive);cursor:pointer;font-size:var(--sd-fontsize-tabs-label);font-weight:700;padding:1em 1.25em .5em;transition:color 250ms;width:auto;z-index:1}html .sd-tab-set>label:hover{color:var(--sd-color-tabs-label-active)}.sd-col>.sd-tab-set{width:100%}.sd-tab-content{box-shadow:0 -0.0625rem var(--sd-color-tabs-overline),0 .0625rem var(--sd-color-tabs-underline);display:none;order:99;padding-bottom:.75rem;padding-top:.75rem;width:100%}.sd-tab-content>:first-child{margin-top:0 !important}.sd-tab-content>:last-child{margin-bottom:0 !important}.sd-tab-content>.sd-tab-set{margin:0}.sd-sphinx-override,.sd-sphinx-override *{-moz-box-sizing:border-box;-webkit-box-sizing:border-box;box-sizing:border-box}.sd-sphinx-override p{margin-top:0}:root{--sd-color-primary: #0071bc;--sd-color-secondary: #6c757d;--sd-color-success: #28a745;--sd-color-info: #17a2b8;--sd-color-warning: #f0b37e;--sd-color-danger: #dc3545;--sd-color-light: #f8f9fa;--sd-color-muted: #6c757d;--sd-color-dark: #212529;--sd-color-black: black;--sd-color-white: white;--sd-color-primary-highlight: #0060a0;--sd-color-secondary-highlight: #5c636a;--sd-color-success-highlight: #228e3b;--sd-color-info-highlight: #148a9c;--sd-color-warning-highlight: #cc986b;--sd-color-danger-highlight: #bb2d3b;--sd-color-light-highlight: #d3d4d5;--sd-color-muted-highlight: #5c636a;--sd-color-dark-highlight: #1c1f23;--sd-color-black-highlight: black;--sd-color-white-highlight: #d9d9d9;--sd-color-primary-bg: rgba(0, 113, 188, 0.2);--sd-color-secondary-bg: rgba(108, 117, 125, 0.2);--sd-color-success-bg: rgba(40, 167, 69, 0.2);--sd-color-info-bg: rgba(23, 162, 184, 0.2);--sd-color-warning-bg: rgba(240, 179, 126, 0.2);--sd-color-danger-bg: rgba(220, 53, 69, 0.2);--sd-color-light-bg: rgba(248, 249, 250, 0.2);--sd-color-muted-bg: rgba(108, 117, 125, 0.2);--sd-color-dark-bg: rgba(33, 37, 41, 0.2);--sd-color-black-bg: rgba(0, 0, 0, 0.2);--sd-color-white-bg: rgba(255, 255, 255, 0.2);--sd-color-primary-text: #fff;--sd-color-secondary-text: #fff;--sd-color-success-text: #fff;--sd-color-info-text: #fff;--sd-color-warning-text: #212529;--sd-color-danger-text: #fff;--sd-color-light-text: #212529;--sd-color-muted-text: #fff;--sd-color-dark-text: #fff;--sd-color-black-text: #fff;--sd-color-white-text: #212529;--sd-color-shadow: rgba(0, 0, 0, 0.15);--sd-color-card-border: rgba(0, 0, 0, 0.125);--sd-color-card-border-hover: hsla(231, 99%, 66%, 1);--sd-color-card-background: transparent;--sd-color-card-text: inherit;--sd-color-card-header: transparent;--sd-color-card-footer: transparent;--sd-color-tabs-label-active: hsla(231, 99%, 66%, 1);--sd-color-tabs-label-hover: hsla(231, 99%, 66%, 1);--sd-color-tabs-label-inactive: hsl(0, 0%, 66%);--sd-color-tabs-underline-active: hsla(231, 99%, 66%, 1);--sd-color-tabs-underline-hover: rgba(178, 206, 245, 0.62);--sd-color-tabs-underline-inactive: transparent;--sd-color-tabs-overline: rgb(222, 222, 222);--sd-color-tabs-underline: rgb(222, 222, 222);--sd-fontsize-tabs-label: 1rem;--sd-fontsize-dropdown: inherit;--sd-fontsize-dropdown-title: 1rem;--sd-fontweight-dropdown-title: 700} diff --git a/_static/base-stemmer.js b/_static/base-stemmer.js new file mode 100644 index 000000000..e6fa0c492 --- /dev/null +++ b/_static/base-stemmer.js @@ -0,0 +1,476 @@ +// @ts-check + +/**@constructor*/ +BaseStemmer = function() { + /** @protected */ + this.current = ''; + this.cursor = 0; + this.limit = 0; + this.limit_backward = 0; + this.bra = 0; + this.ket = 0; + + /** + * @param {string} value + */ + this.setCurrent = function(value) { + this.current = value; + this.cursor = 0; + this.limit = this.current.length; + this.limit_backward = 0; + this.bra = this.cursor; + this.ket = this.limit; + }; + + /** + * @return {string} + */ + this.getCurrent = function() { + return this.current; + }; + + /** + * @param {BaseStemmer} other + */ + this.copy_from = function(other) { + /** @protected */ + this.current = other.current; + this.cursor = other.cursor; + this.limit = other.limit; + this.limit_backward = other.limit_backward; + this.bra = other.bra; + this.ket = other.ket; + }; + + /** + * @param {number[]} s + * @param {number} min + * @param {number} max + * @return {boolean} + */ + this.in_grouping = function(s, min, max) { + /** @protected */ + if (this.cursor >= this.limit) return false; + var ch = this.current.charCodeAt(this.cursor); + if (ch > max || ch < min) return false; + ch -= min; + if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) return false; + this.cursor++; + return true; + }; + + /** + * @param {number[]} s + * @param {number} min + * @param {number} max + * @return {boolean} + */ + this.go_in_grouping = function(s, min, max) { + /** @protected */ + while (this.cursor < this.limit) { + var ch = this.current.charCodeAt(this.cursor); + if (ch > max || ch < min) + return true; + ch -= min; + if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) + return true; + this.cursor++; + } + return false; + }; + + /** + * @param {number[]} s + * @param {number} min + * @param {number} max + * @return {boolean} + */ + this.in_grouping_b = function(s, min, max) { + /** @protected */ + if (this.cursor <= this.limit_backward) return false; + var ch = this.current.charCodeAt(this.cursor - 1); + if (ch > max || ch < min) return false; + ch -= min; + if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) return false; + this.cursor--; + return true; + }; + + /** + * @param {number[]} s + * @param {number} min + * @param {number} max + * @return {boolean} + */ + this.go_in_grouping_b = function(s, min, max) { + /** @protected */ + while (this.cursor > this.limit_backward) { + var ch = this.current.charCodeAt(this.cursor - 1); + if (ch > max || ch < min) return true; + ch -= min; + if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) return true; + this.cursor--; + } + return false; + }; + + /** + * @param {number[]} s + * @param {number} min + * @param {number} max + * @return {boolean} + */ + this.out_grouping = function(s, min, max) { + /** @protected */ + if (this.cursor >= this.limit) return false; + var ch = this.current.charCodeAt(this.cursor); + if (ch > max || ch < min) { + this.cursor++; + return true; + } + ch -= min; + if ((s[ch >>> 3] & (0X1 << (ch & 0x7))) == 0) { + this.cursor++; + return true; + } + return false; + }; + + /** + * @param {number[]} s + * @param {number} min + * @param {number} max + * @return {boolean} + */ + this.go_out_grouping = function(s, min, max) { + /** @protected */ + while (this.cursor < this.limit) { + var ch = this.current.charCodeAt(this.cursor); + if (ch <= max && ch >= min) { + ch -= min; + if ((s[ch >>> 3] & (0X1 << (ch & 0x7))) != 0) { + return true; + } + } + this.cursor++; + } + return false; + }; + + /** + * @param {number[]} s + * @param {number} min + * @param {number} max + * @return {boolean} + */ + this.out_grouping_b = function(s, min, max) { + /** @protected */ + if (this.cursor <= this.limit_backward) return false; + var ch = this.current.charCodeAt(this.cursor - 1); + if (ch > max || ch < min) { + this.cursor--; + return true; + } + ch -= min; + if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) == 0) { + this.cursor--; + return true; + } + return false; + }; + + /** + * @param {number[]} s + * @param {number} min + * @param {number} max + * @return {boolean} + */ + this.go_out_grouping_b = function(s, min, max) { + /** @protected */ + while (this.cursor > this.limit_backward) { + var ch = this.current.charCodeAt(this.cursor - 1); + if (ch <= max && ch >= min) { + ch -= min; + if ((s[ch >>> 3] & (0x1 << (ch & 0x7))) != 0) { + return true; + } + } + this.cursor--; + } + return false; + }; + + /** + * @param {string} s + * @return {boolean} + */ + this.eq_s = function(s) + { + /** @protected */ + if (this.limit - this.cursor < s.length) return false; + if (this.current.slice(this.cursor, this.cursor + s.length) != s) + { + return false; + } + this.cursor += s.length; + return true; + }; + + /** + * @param {string} s + * @return {boolean} + */ + this.eq_s_b = function(s) + { + /** @protected */ + if (this.cursor - this.limit_backward < s.length) return false; + if (this.current.slice(this.cursor - s.length, this.cursor) != s) + { + return false; + } + this.cursor -= s.length; + return true; + }; + + /** + * @param {Among[]} v + * @return {number} + */ + this.find_among = function(v) + { + /** @protected */ + var i = 0; + var j = v.length; + + var c = this.cursor; + var l = this.limit; + + var common_i = 0; + var common_j = 0; + + var first_key_inspected = false; + + while (true) + { + var k = i + ((j - i) >>> 1); + var diff = 0; + var common = common_i < common_j ? common_i : common_j; // smaller + // w[0]: string, w[1]: substring_i, w[2]: result, w[3]: function (optional) + var w = v[k]; + var i2; + for (i2 = common; i2 < w[0].length; i2++) + { + if (c + common == l) + { + diff = -1; + break; + } + diff = this.current.charCodeAt(c + common) - w[0].charCodeAt(i2); + if (diff != 0) break; + common++; + } + if (diff < 0) + { + j = k; + common_j = common; + } + else + { + i = k; + common_i = common; + } + if (j - i <= 1) + { + if (i > 0) break; // v->s has been inspected + if (j == i) break; // only one item in v + + // - but now we need to go round once more to get + // v->s inspected. This looks messy, but is actually + // the optimal approach. + + if (first_key_inspected) break; + first_key_inspected = true; + } + } + do { + var w = v[i]; + if (common_i >= w[0].length) + { + this.cursor = c + w[0].length; + if (w.length < 4) return w[2]; + var res = w[3](this); + this.cursor = c + w[0].length; + if (res) return w[2]; + } + i = w[1]; + } while (i >= 0); + return 0; + }; + + // find_among_b is for backwards processing. Same comments apply + /** + * @param {Among[]} v + * @return {number} + */ + this.find_among_b = function(v) + { + /** @protected */ + var i = 0; + var j = v.length + + var c = this.cursor; + var lb = this.limit_backward; + + var common_i = 0; + var common_j = 0; + + var first_key_inspected = false; + + while (true) + { + var k = i + ((j - i) >> 1); + var diff = 0; + var common = common_i < common_j ? common_i : common_j; + var w = v[k]; + var i2; + for (i2 = w[0].length - 1 - common; i2 >= 0; i2--) + { + if (c - common == lb) + { + diff = -1; + break; + } + diff = this.current.charCodeAt(c - 1 - common) - w[0].charCodeAt(i2); + if (diff != 0) break; + common++; + } + if (diff < 0) + { + j = k; + common_j = common; + } + else + { + i = k; + common_i = common; + } + if (j - i <= 1) + { + if (i > 0) break; + if (j == i) break; + if (first_key_inspected) break; + first_key_inspected = true; + } + } + do { + var w = v[i]; + if (common_i >= w[0].length) + { + this.cursor = c - w[0].length; + if (w.length < 4) return w[2]; + var res = w[3](this); + this.cursor = c - w[0].length; + if (res) return w[2]; + } + i = w[1]; + } while (i >= 0); + return 0; + }; + + /* to replace chars between c_bra and c_ket in this.current by the + * chars in s. + */ + /** + * @param {number} c_bra + * @param {number} c_ket + * @param {string} s + * @return {number} + */ + this.replace_s = function(c_bra, c_ket, s) + { + /** @protected */ + var adjustment = s.length - (c_ket - c_bra); + this.current = this.current.slice(0, c_bra) + s + this.current.slice(c_ket); + this.limit += adjustment; + if (this.cursor >= c_ket) this.cursor += adjustment; + else if (this.cursor > c_bra) this.cursor = c_bra; + return adjustment; + }; + + /** + * @return {boolean} + */ + this.slice_check = function() + { + /** @protected */ + if (this.bra < 0 || + this.bra > this.ket || + this.ket > this.limit || + this.limit > this.current.length) + { + return false; + } + return true; + }; + + /** + * @param {number} c_bra + * @return {boolean} + */ + this.slice_from = function(s) + { + /** @protected */ + var result = false; + if (this.slice_check()) + { + this.replace_s(this.bra, this.ket, s); + result = true; + } + return result; + }; + + /** + * @return {boolean} + */ + this.slice_del = function() + { + /** @protected */ + return this.slice_from(""); + }; + + /** + * @param {number} c_bra + * @param {number} c_ket + * @param {string} s + */ + this.insert = function(c_bra, c_ket, s) + { + /** @protected */ + var adjustment = this.replace_s(c_bra, c_ket, s); + if (c_bra <= this.bra) this.bra += adjustment; + if (c_bra <= this.ket) this.ket += adjustment; + }; + + /** + * @return {string} + */ + this.slice_to = function() + { + /** @protected */ + var result = ''; + if (this.slice_check()) + { + result = this.current.slice(this.bra, this.ket); + } + return result; + }; + + /** + * @return {string} + */ + this.assign_to = function() + { + /** @protected */ + return this.current.slice(0, this.limit); + }; +}; diff --git a/_static/basic.css b/_static/basic.css new file mode 100644 index 000000000..4738b2edc --- /dev/null +++ b/_static/basic.css @@ -0,0 +1,906 @@ +/* + * Sphinx stylesheet -- basic theme. + */ + +/* -- main layout ----------------------------------------------------------- */ + +div.clearer { + clear: both; +} + +div.section::after { + display: block; + content: ''; + clear: left; +} + +/* -- relbar ---------------------------------------------------------------- */ + +div.related { + width: 100%; + font-size: 90%; +} + +div.related h3 { + display: none; +} + +div.related ul { + margin: 0; + padding: 0 0 0 10px; + list-style: none; +} + +div.related li { + display: inline; +} + +div.related li.right { + float: right; + margin-right: 5px; +} + +/* -- sidebar --------------------------------------------------------------- */ + +div.sphinxsidebarwrapper { + padding: 10px 5px 0 10px; +} + +div.sphinxsidebar { + float: left; + width: 230px; + margin-left: -100%; + font-size: 90%; + word-wrap: break-word; + overflow-wrap : break-word; +} + +div.sphinxsidebar ul { + list-style: none; +} + +div.sphinxsidebar ul ul, +div.sphinxsidebar ul.want-points { + margin-left: 20px; + list-style: square; +} + +div.sphinxsidebar ul ul { + margin-top: 0; + margin-bottom: 0; +} + +div.sphinxsidebar form { + margin-top: 10px; +} + +div.sphinxsidebar input { + border: 1px solid #98dbcc; + font-family: sans-serif; + font-size: 1em; +} + +div.sphinxsidebar #searchbox form.search { + overflow: hidden; +} + +div.sphinxsidebar #searchbox input[type="text"] { + float: left; + width: 80%; + padding: 0.25em; + box-sizing: border-box; +} + +div.sphinxsidebar #searchbox input[type="submit"] { + float: left; + width: 20%; + border-left: none; + padding: 0.25em; + box-sizing: border-box; +} + + +img { + border: 0; + max-width: 100%; +} + +/* -- search page ----------------------------------------------------------- */ + +ul.search { + margin-top: 10px; +} + +ul.search li { + padding: 5px 0; +} + +ul.search li a { + font-weight: bold; +} + +ul.search li p.context { + color: #888; + margin: 2px 0 0 30px; + text-align: left; +} + +ul.keywordmatches li.goodmatch a { + font-weight: bold; +} + +/* -- index page ------------------------------------------------------------ */ + +table.contentstable { + width: 90%; + margin-left: auto; + margin-right: auto; +} + +table.contentstable p.biglink { + line-height: 150%; +} + +a.biglink { + font-size: 1.3em; +} + +span.linkdescr { + font-style: italic; + padding-top: 5px; + font-size: 90%; +} + +/* -- general index --------------------------------------------------------- */ + +table.indextable { + width: 100%; +} + +table.indextable td { + text-align: left; + vertical-align: top; +} + +table.indextable ul { + margin-top: 0; + margin-bottom: 0; + list-style-type: none; +} + +table.indextable > tbody > tr > td > ul { + padding-left: 0em; +} + +table.indextable tr.pcap { + height: 10px; +} + +table.indextable tr.cap { + margin-top: 10px; + background-color: #f2f2f2; +} + +img.toggler { + margin-right: 3px; + margin-top: 3px; + cursor: pointer; +} + +div.modindex-jumpbox { + border-top: 1px solid #ddd; + border-bottom: 1px solid #ddd; + margin: 1em 0 1em 0; + padding: 0.4em; +} + +div.genindex-jumpbox { + border-top: 1px solid #ddd; + border-bottom: 1px solid #ddd; + margin: 1em 0 1em 0; + padding: 0.4em; +} + +/* -- domain module index --------------------------------------------------- */ + +table.modindextable td { + padding: 2px; + border-collapse: collapse; +} + +/* -- general body styles --------------------------------------------------- */ + +div.body { + min-width: 360px; + max-width: 800px; +} + +div.body p, div.body dd, div.body li, div.body blockquote { + -moz-hyphens: auto; + -ms-hyphens: auto; + -webkit-hyphens: auto; + hyphens: auto; +} + +a.headerlink { + visibility: hidden; +} + +a:visited { + color: #551A8B; +} + +h1:hover > a.headerlink, +h2:hover > a.headerlink, +h3:hover > a.headerlink, +h4:hover > a.headerlink, +h5:hover > a.headerlink, +h6:hover > a.headerlink, +dt:hover > a.headerlink, +caption:hover > a.headerlink, +p.caption:hover > a.headerlink, +div.code-block-caption:hover > a.headerlink { + visibility: visible; +} + +div.body p.caption { + text-align: inherit; +} + +div.body td { + text-align: left; +} + +.first { + margin-top: 0 !important; +} + +p.rubric { + margin-top: 30px; + font-weight: bold; +} + +img.align-left, figure.align-left, .figure.align-left, object.align-left { + clear: left; + float: left; + margin-right: 1em; +} + +img.align-right, figure.align-right, .figure.align-right, object.align-right { + clear: right; + float: right; + margin-left: 1em; +} + +img.align-center, figure.align-center, .figure.align-center, object.align-center { + display: block; + margin-left: auto; + margin-right: auto; +} + +img.align-default, figure.align-default, .figure.align-default { + display: block; + margin-left: auto; + margin-right: auto; +} + +.align-left { + text-align: left; +} + +.align-center { + text-align: center; +} + +.align-default { + text-align: center; +} + +.align-right { + text-align: right; +} + +/* -- sidebars -------------------------------------------------------------- */ + +div.sidebar, +aside.sidebar { + margin: 0 0 0.5em 1em; + border: 1px solid #ddb; + padding: 7px; + background-color: #ffe; + width: 40%; + float: right; + clear: right; + overflow-x: auto; +} + +p.sidebar-title { + font-weight: bold; +} + +nav.contents, +aside.topic, +div.admonition, div.topic, blockquote { + clear: left; +} + +/* -- topics ---------------------------------------------------------------- */ + +nav.contents, +aside.topic, +div.topic { + border: 1px solid #ccc; + padding: 7px; + margin: 10px 0 10px 0; +} + +p.topic-title { + font-size: 1.1em; + font-weight: bold; + margin-top: 10px; +} + +/* -- admonitions ----------------------------------------------------------- */ + +div.admonition { + margin-top: 10px; + margin-bottom: 10px; + padding: 7px; +} + +div.admonition dt { + font-weight: bold; +} + +p.admonition-title { + margin: 0px 10px 5px 0px; + font-weight: bold; +} + +div.body p.centered { + text-align: center; + margin-top: 25px; +} + +/* -- content of sidebars/topics/admonitions -------------------------------- */ + +div.sidebar > :last-child, +aside.sidebar > :last-child, +nav.contents > :last-child, +aside.topic > :last-child, +div.topic > :last-child, +div.admonition > :last-child { + margin-bottom: 0; +} + +div.sidebar::after, +aside.sidebar::after, +nav.contents::after, +aside.topic::after, +div.topic::after, +div.admonition::after, +blockquote::after { + display: block; + content: ''; + clear: both; +} + +/* -- tables ---------------------------------------------------------------- */ + +table.docutils { + margin-top: 10px; + margin-bottom: 10px; + border: 0; + border-collapse: collapse; +} + +table.align-center { + margin-left: auto; + margin-right: auto; +} + +table.align-default { + margin-left: auto; + margin-right: auto; +} + +table caption span.caption-number { + font-style: italic; +} + +table caption span.caption-text { +} + +table.docutils td, table.docutils th { + padding: 1px 8px 1px 5px; + border-top: 0; + border-left: 0; + border-right: 0; + border-bottom: 1px solid #aaa; +} + +th { + text-align: left; + padding-right: 5px; +} + +table.citation { + border-left: solid 1px gray; + margin-left: 1px; +} + +table.citation td { + border-bottom: none; +} + +th > :first-child, +td > :first-child { + margin-top: 0px; +} + +th > :last-child, +td > :last-child { + margin-bottom: 0px; +} + +/* -- figures --------------------------------------------------------------- */ + +div.figure, figure { + margin: 0.5em; + padding: 0.5em; +} + +div.figure p.caption, figcaption { + padding: 0.3em; +} + +div.figure p.caption span.caption-number, +figcaption span.caption-number { + font-style: italic; +} + +div.figure p.caption span.caption-text, +figcaption span.caption-text { +} + +/* -- field list styles ----------------------------------------------------- */ + +table.field-list td, table.field-list th { + border: 0 !important; +} + +.field-list ul { + margin: 0; + padding-left: 1em; +} + +.field-list p { + margin: 0; +} + +.field-name { + -moz-hyphens: manual; + -ms-hyphens: manual; + -webkit-hyphens: manual; + hyphens: manual; +} + +/* -- hlist styles ---------------------------------------------------------- */ + +table.hlist { + margin: 1em 0; +} + +table.hlist td { + vertical-align: top; +} + +/* -- object description styles --------------------------------------------- */ + +.sig { + font-family: 'Consolas', 'Menlo', 'DejaVu Sans Mono', 'Bitstream Vera Sans Mono', monospace; +} + +.sig-name, code.descname { + background-color: transparent; + font-weight: bold; +} + +.sig-name { + font-size: 1.1em; +} + +code.descname { + font-size: 1.2em; +} + +.sig-prename, code.descclassname { + background-color: transparent; +} + +.optional { + font-size: 1.3em; +} + +.sig-paren { + font-size: larger; +} + +.sig-param.n { + font-style: italic; +} + +/* C++ specific styling */ + +.sig-inline.c-texpr, +.sig-inline.cpp-texpr { + font-family: unset; +} + +.sig.c .k, .sig.c .kt, +.sig.cpp .k, .sig.cpp .kt { + color: #0033B3; +} + +.sig.c .m, +.sig.cpp .m { + color: #1750EB; +} + +.sig.c .s, .sig.c .sc, +.sig.cpp .s, .sig.cpp .sc { + color: #067D17; +} + + +/* -- other body styles ----------------------------------------------------- */ + +ol.arabic { + list-style: decimal; +} + +ol.loweralpha { + list-style: lower-alpha; +} + +ol.upperalpha { + list-style: upper-alpha; +} + +ol.lowerroman { + list-style: lower-roman; +} + +ol.upperroman { + list-style: upper-roman; +} + +:not(li) > ol > li:first-child > :first-child, +:not(li) > ul > li:first-child > :first-child { + margin-top: 0px; +} + +:not(li) > ol > li:last-child > :last-child, +:not(li) > ul > li:last-child > :last-child { + margin-bottom: 0px; +} + +ol.simple ol p, +ol.simple ul p, +ul.simple ol p, +ul.simple ul p { + margin-top: 0; +} + +ol.simple > li:not(:first-child) > p, +ul.simple > li:not(:first-child) > p { + margin-top: 0; +} + +ol.simple p, +ul.simple p { + margin-bottom: 0; +} + +aside.footnote > span, +div.citation > span { + float: left; +} +aside.footnote > span:last-of-type, +div.citation > span:last-of-type { + padding-right: 0.5em; +} +aside.footnote > p { + margin-left: 2em; +} +div.citation > p { + margin-left: 4em; +} +aside.footnote > p:last-of-type, +div.citation > p:last-of-type { + margin-bottom: 0em; +} +aside.footnote > p:last-of-type:after, +div.citation > p:last-of-type:after { + content: ""; + clear: both; +} + +dl.field-list { + display: grid; + grid-template-columns: fit-content(30%) auto; +} + +dl.field-list > dt { + font-weight: bold; + word-break: break-word; + padding-left: 0.5em; + padding-right: 5px; +} + +dl.field-list > dd { + padding-left: 0.5em; + margin-top: 0em; + margin-left: 0em; + margin-bottom: 0em; +} + +dl { + margin-bottom: 15px; +} + +dd > :first-child { + margin-top: 0px; +} + +dd ul, dd table { + margin-bottom: 10px; +} + +dd { + margin-top: 3px; + margin-bottom: 10px; + margin-left: 30px; +} + +.sig dd { + margin-top: 0px; + margin-bottom: 0px; +} + +.sig dl { + margin-top: 0px; + margin-bottom: 0px; +} + +dl > dd:last-child, +dl > dd:last-child > :last-child { + margin-bottom: 0; +} + +dt:target, span.highlighted { + background-color: #fbe54e; +} + +rect.highlighted { + fill: #fbe54e; +} + +dl.glossary dt { + font-weight: bold; + font-size: 1.1em; +} + +.versionmodified { + font-style: italic; +} + +.system-message { + background-color: #fda; + padding: 5px; + border: 3px solid red; +} + +.footnote:target { + background-color: #ffa; +} + +.line-block { + display: block; + margin-top: 1em; + margin-bottom: 1em; +} + +.line-block .line-block { + margin-top: 0; + margin-bottom: 0; + margin-left: 1.5em; +} + +.guilabel, .menuselection { + font-family: sans-serif; +} + +.accelerator { + text-decoration: underline; +} + +.classifier { + font-style: oblique; +} + +.classifier:before { + font-style: normal; + margin: 0 0.5em; + content: ":"; + display: inline-block; +} + +abbr, acronym { + border-bottom: dotted 1px; + cursor: help; +} + +/* -- code displays --------------------------------------------------------- */ + +pre { + overflow: auto; + overflow-y: hidden; /* fixes display issues on Chrome browsers */ +} + +pre, div[class*="highlight-"] { + clear: both; +} + +span.pre { + -moz-hyphens: none; + -ms-hyphens: none; + -webkit-hyphens: none; + hyphens: none; + white-space: nowrap; +} + +div[class*="highlight-"] { + margin: 1em 0; +} + +td.linenos pre { + border: 0; + background-color: transparent; + color: #aaa; +} + +table.highlighttable { + display: block; +} + +table.highlighttable tbody { + display: block; +} + +table.highlighttable tr { + display: flex; +} + +table.highlighttable td { + margin: 0; + padding: 0; +} + +table.highlighttable td.linenos { + padding-right: 0.5em; +} + +table.highlighttable td.code { + flex: 1; + overflow: hidden; +} + +.highlight .hll { + display: block; +} + +div.highlight pre, +table.highlighttable pre { + margin: 0; +} + +div.code-block-caption + div { + margin-top: 0; +} + +div.code-block-caption { + margin-top: 1em; + padding: 2px 5px; + font-size: small; +} + +div.code-block-caption code { + background-color: transparent; +} + +table.highlighttable td.linenos, +span.linenos, +div.highlight span.gp { /* gp: Generic.Prompt */ + user-select: none; + -webkit-user-select: text; /* Safari fallback only */ + -webkit-user-select: none; /* Chrome/Safari */ + -moz-user-select: none; /* Firefox */ + -ms-user-select: none; /* IE10+ */ +} + +div.code-block-caption span.caption-number { + padding: 0.1em 0.3em; + font-style: italic; +} + +div.code-block-caption span.caption-text { +} + +div.literal-block-wrapper { + margin: 1em 0; +} + +code.xref, a code { + background-color: transparent; + font-weight: bold; +} + +h1 code, h2 code, h3 code, h4 code, h5 code, h6 code { + background-color: transparent; +} + +.viewcode-link { + float: right; +} + +.viewcode-back { + float: right; + font-family: sans-serif; +} + +div.viewcode-block:target { + margin: -1px -10px; + padding: 0 10px; +} + +/* -- math display ---------------------------------------------------------- */ + +img.math { + vertical-align: middle; +} + +div.body div.math p { + text-align: center; +} + +span.eqno { + float: right; +} + +span.eqno a.headerlink { + position: absolute; + z-index: 1; +} + +div.math:hover a.headerlink { + visibility: visible; +} + +/* -- printout stylesheet --------------------------------------------------- */ + +@media print { + div.document, + div.documentwrapper, + div.bodywrapper { + margin: 0 !important; + width: 100%; + } + + div.sphinxsidebar, + div.related, + div.footer, + #top-link { + display: none; + } +} \ No newline at end of file diff --git a/_static/check-solid.svg b/_static/check-solid.svg new file mode 100644 index 000000000..92fad4b5c --- /dev/null +++ b/_static/check-solid.svg @@ -0,0 +1,4 @@ + + + + diff --git a/_static/clipboard.min.js b/_static/clipboard.min.js new file mode 100644 index 000000000..54b3c4638 --- /dev/null +++ b/_static/clipboard.min.js @@ -0,0 +1,7 @@ +/*! + * clipboard.js v2.0.8 + * https://clipboardjs.com/ + * + * Licensed MIT © Zeno Rocha + */ +!function(t,e){"object"==typeof exports&&"object"==typeof module?module.exports=e():"function"==typeof define&&define.amd?define([],e):"object"==typeof exports?exports.ClipboardJS=e():t.ClipboardJS=e()}(this,function(){return n={686:function(t,e,n){"use strict";n.d(e,{default:function(){return o}});var e=n(279),i=n.n(e),e=n(370),u=n.n(e),e=n(817),c=n.n(e);function a(t){try{return document.execCommand(t)}catch(t){return}}var f=function(t){t=c()(t);return a("cut"),t};var l=function(t){var e,n,o,r=1 + + + + diff --git a/_static/copybutton.css b/_static/copybutton.css new file mode 100644 index 000000000..f1916ec7d --- /dev/null +++ b/_static/copybutton.css @@ -0,0 +1,94 @@ +/* Copy buttons */ +button.copybtn { + position: absolute; + display: flex; + top: .3em; + right: .3em; + width: 1.7em; + height: 1.7em; + opacity: 0; + transition: opacity 0.3s, border .3s, background-color .3s; + user-select: none; + padding: 0; + border: none; + outline: none; + border-radius: 0.4em; + /* The colors that GitHub uses */ + border: #1b1f2426 1px solid; + background-color: #f6f8fa; + color: #57606a; +} + +button.copybtn.success { + border-color: #22863a; + color: #22863a; +} + +button.copybtn svg { + stroke: currentColor; + width: 1.5em; + height: 1.5em; + padding: 0.1em; +} + +div.highlight { + position: relative; +} + +/* Show the copybutton */ +.highlight:hover button.copybtn, button.copybtn.success { + opacity: 1; +} + +.highlight button.copybtn:hover { + background-color: rgb(235, 235, 235); +} + +.highlight button.copybtn:active { + background-color: rgb(187, 187, 187); +} + +/** + * A minimal CSS-only tooltip copied from: + * https://codepen.io/mildrenben/pen/rVBrpK + * + * To use, write HTML like the following: + * + *

Short

+ */ + .o-tooltip--left { + position: relative; + } + + .o-tooltip--left:after { + opacity: 0; + visibility: hidden; + position: absolute; + content: attr(data-tooltip); + padding: .2em; + font-size: .8em; + left: -.2em; + background: grey; + color: white; + white-space: nowrap; + z-index: 2; + border-radius: 2px; + transform: translateX(-102%) translateY(0); + transition: opacity 0.2s cubic-bezier(0.64, 0.09, 0.08, 1), transform 0.2s cubic-bezier(0.64, 0.09, 0.08, 1); +} + +.o-tooltip--left:hover:after { + display: block; + opacity: 1; + visibility: visible; + transform: translateX(-100%) translateY(0); + transition: opacity 0.2s cubic-bezier(0.64, 0.09, 0.08, 1), transform 0.2s cubic-bezier(0.64, 0.09, 0.08, 1); + transition-delay: .5s; +} + +/* By default the copy button shouldn't show up when printing a page */ +@media print { + button.copybtn { + display: none; + } +} diff --git a/_static/copybutton.js b/_static/copybutton.js new file mode 100644 index 000000000..2ea7ff3e2 --- /dev/null +++ b/_static/copybutton.js @@ -0,0 +1,248 @@ +// Localization support +const messages = { + 'en': { + 'copy': 'Copy', + 'copy_to_clipboard': 'Copy to clipboard', + 'copy_success': 'Copied!', + 'copy_failure': 'Failed to copy', + }, + 'es' : { + 'copy': 'Copiar', + 'copy_to_clipboard': 'Copiar al portapapeles', + 'copy_success': '¡Copiado!', + 'copy_failure': 'Error al copiar', + }, + 'de' : { + 'copy': 'Kopieren', + 'copy_to_clipboard': 'In die Zwischenablage kopieren', + 'copy_success': 'Kopiert!', + 'copy_failure': 'Fehler beim Kopieren', + }, + 'fr' : { + 'copy': 'Copier', + 'copy_to_clipboard': 'Copier dans le presse-papier', + 'copy_success': 'Copié !', + 'copy_failure': 'Échec de la copie', + }, + 'ru': { + 'copy': 'Скопировать', + 'copy_to_clipboard': 'Скопировать в буфер', + 'copy_success': 'Скопировано!', + 'copy_failure': 'Не удалось скопировать', + }, + 'zh-CN': { + 'copy': '复制', + 'copy_to_clipboard': '复制到剪贴板', + 'copy_success': '复制成功!', + 'copy_failure': '复制失败', + }, + 'it' : { + 'copy': 'Copiare', + 'copy_to_clipboard': 'Copiato negli appunti', + 'copy_success': 'Copiato!', + 'copy_failure': 'Errore durante la copia', + } +} + +let locale = 'en' +if( document.documentElement.lang !== undefined + && messages[document.documentElement.lang] !== undefined ) { + locale = document.documentElement.lang +} + +let doc_url_root = DOCUMENTATION_OPTIONS.URL_ROOT; +if (doc_url_root == '#') { + doc_url_root = ''; +} + +/** + * SVG files for our copy buttons + */ +let iconCheck = ` + ${messages[locale]['copy_success']} + + +` + +// If the user specified their own SVG use that, otherwise use the default +let iconCopy = ``; +if (!iconCopy) { + iconCopy = ` + ${messages[locale]['copy_to_clipboard']} + + + +` +} + +/** + * Set up copy/paste for code blocks + */ + +const runWhenDOMLoaded = cb => { + if (document.readyState != 'loading') { + cb() + } else if (document.addEventListener) { + document.addEventListener('DOMContentLoaded', cb) + } else { + document.attachEvent('onreadystatechange', function() { + if (document.readyState == 'complete') cb() + }) + } +} + +const codeCellId = index => `codecell${index}` + +// Clears selected text since ClipboardJS will select the text when copying +const clearSelection = () => { + if (window.getSelection) { + window.getSelection().removeAllRanges() + } else if (document.selection) { + document.selection.empty() + } +} + +// Changes tooltip text for a moment, then changes it back +// We want the timeout of our `success` class to be a bit shorter than the +// tooltip and icon change, so that we can hide the icon before changing back. +var timeoutIcon = 2000; +var timeoutSuccessClass = 1500; + +const temporarilyChangeTooltip = (el, oldText, newText) => { + el.setAttribute('data-tooltip', newText) + el.classList.add('success') + // Remove success a little bit sooner than we change the tooltip + // So that we can use CSS to hide the copybutton first + setTimeout(() => el.classList.remove('success'), timeoutSuccessClass) + setTimeout(() => el.setAttribute('data-tooltip', oldText), timeoutIcon) +} + +// Changes the copy button icon for two seconds, then changes it back +const temporarilyChangeIcon = (el) => { + el.innerHTML = iconCheck; + setTimeout(() => {el.innerHTML = iconCopy}, timeoutIcon) +} + +const addCopyButtonToCodeCells = () => { + // If ClipboardJS hasn't loaded, wait a bit and try again. This + // happens because we load ClipboardJS asynchronously. + if (window.ClipboardJS === undefined) { + setTimeout(addCopyButtonToCodeCells, 250) + return + } + + // Add copybuttons to all of our code cells + const COPYBUTTON_SELECTOR = 'div.highlight pre'; + const codeCells = document.querySelectorAll(COPYBUTTON_SELECTOR) + codeCells.forEach((codeCell, index) => { + const id = codeCellId(index) + codeCell.setAttribute('id', id) + + const clipboardButton = id => + `` + codeCell.insertAdjacentHTML('afterend', clipboardButton(id)) + }) + +function escapeRegExp(string) { + return string.replace(/[.*+?^${}()|[\]\\]/g, '\\$&'); // $& means the whole matched string +} + +/** + * Removes excluded text from a Node. + * + * @param {Node} target Node to filter. + * @param {string} exclude CSS selector of nodes to exclude. + * @returns {DOMString} Text from `target` with text removed. + */ +function filterText(target, exclude) { + const clone = target.cloneNode(true); // clone as to not modify the live DOM + if (exclude) { + // remove excluded nodes + clone.querySelectorAll(exclude).forEach(node => node.remove()); + } + return clone.innerText; +} + +// Callback when a copy button is clicked. Will be passed the node that was clicked +// should then grab the text and replace pieces of text that shouldn't be used in output +function formatCopyText(textContent, copybuttonPromptText, isRegexp = false, onlyCopyPromptLines = true, removePrompts = true, copyEmptyLines = true, lineContinuationChar = "", hereDocDelim = "") { + var regexp; + var match; + + // Do we check for line continuation characters and "HERE-documents"? + var useLineCont = !!lineContinuationChar + var useHereDoc = !!hereDocDelim + + // create regexp to capture prompt and remaining line + if (isRegexp) { + regexp = new RegExp('^(' + copybuttonPromptText + ')(.*)') + } else { + regexp = new RegExp('^(' + escapeRegExp(copybuttonPromptText) + ')(.*)') + } + + const outputLines = []; + var promptFound = false; + var gotLineCont = false; + var gotHereDoc = false; + const lineGotPrompt = []; + for (const line of textContent.split('\n')) { + match = line.match(regexp) + if (match || gotLineCont || gotHereDoc) { + promptFound = regexp.test(line) + lineGotPrompt.push(promptFound) + if (removePrompts && promptFound) { + outputLines.push(match[2]) + } else { + outputLines.push(line) + } + gotLineCont = line.endsWith(lineContinuationChar) & useLineCont + if (line.includes(hereDocDelim) & useHereDoc) + gotHereDoc = !gotHereDoc + } else if (!onlyCopyPromptLines) { + outputLines.push(line) + } else if (copyEmptyLines && line.trim() === '') { + outputLines.push(line) + } + } + + // If no lines with the prompt were found then just use original lines + if (lineGotPrompt.some(v => v === true)) { + textContent = outputLines.join('\n'); + } + + // Remove a trailing newline to avoid auto-running when pasting + if (textContent.endsWith("\n")) { + textContent = textContent.slice(0, -1) + } + return textContent +} + + +var copyTargetText = (trigger) => { + var target = document.querySelector(trigger.attributes['data-clipboard-target'].value); + + // get filtered text + let exclude = '.linenos'; + + let text = filterText(target, exclude); + return formatCopyText(text, '', false, true, true, true, '', '') +} + + // Initialize with a callback so we can modify the text before copy + const clipboard = new ClipboardJS('.copybtn', {text: copyTargetText}) + + // Update UI with error/success messages + clipboard.on('success', event => { + clearSelection() + temporarilyChangeTooltip(event.trigger, messages[locale]['copy'], messages[locale]['copy_success']) + temporarilyChangeIcon(event.trigger) + }) + + clipboard.on('error', event => { + temporarilyChangeTooltip(event.trigger, messages[locale]['copy'], messages[locale]['copy_failure']) + }) +} + +runWhenDOMLoaded(addCopyButtonToCodeCells) \ No newline at end of file diff --git a/_static/copybutton_funcs.js b/_static/copybutton_funcs.js new file mode 100644 index 000000000..dbe1aaad7 --- /dev/null +++ b/_static/copybutton_funcs.js @@ -0,0 +1,73 @@ +function escapeRegExp(string) { + return string.replace(/[.*+?^${}()|[\]\\]/g, '\\$&'); // $& means the whole matched string +} + +/** + * Removes excluded text from a Node. + * + * @param {Node} target Node to filter. + * @param {string} exclude CSS selector of nodes to exclude. + * @returns {DOMString} Text from `target` with text removed. + */ +export function filterText(target, exclude) { + const clone = target.cloneNode(true); // clone as to not modify the live DOM + if (exclude) { + // remove excluded nodes + clone.querySelectorAll(exclude).forEach(node => node.remove()); + } + return clone.innerText; +} + +// Callback when a copy button is clicked. Will be passed the node that was clicked +// should then grab the text and replace pieces of text that shouldn't be used in output +export function formatCopyText(textContent, copybuttonPromptText, isRegexp = false, onlyCopyPromptLines = true, removePrompts = true, copyEmptyLines = true, lineContinuationChar = "", hereDocDelim = "") { + var regexp; + var match; + + // Do we check for line continuation characters and "HERE-documents"? + var useLineCont = !!lineContinuationChar + var useHereDoc = !!hereDocDelim + + // create regexp to capture prompt and remaining line + if (isRegexp) { + regexp = new RegExp('^(' + copybuttonPromptText + ')(.*)') + } else { + regexp = new RegExp('^(' + escapeRegExp(copybuttonPromptText) + ')(.*)') + } + + const outputLines = []; + var promptFound = false; + var gotLineCont = false; + var gotHereDoc = false; + const lineGotPrompt = []; + for (const line of textContent.split('\n')) { + match = line.match(regexp) + if (match || gotLineCont || gotHereDoc) { + promptFound = regexp.test(line) + lineGotPrompt.push(promptFound) + if (removePrompts && promptFound) { + outputLines.push(match[2]) + } else { + outputLines.push(line) + } + gotLineCont = line.endsWith(lineContinuationChar) & useLineCont + if (line.includes(hereDocDelim) & useHereDoc) + gotHereDoc = !gotHereDoc + } else if (!onlyCopyPromptLines) { + outputLines.push(line) + } else if (copyEmptyLines && line.trim() === '') { + outputLines.push(line) + } + } + + // If no lines with the prompt were found then just use original lines + if (lineGotPrompt.some(v => v === true)) { + textContent = outputLines.join('\n'); + } + + // Remove a trailing newline to avoid auto-running when pasting + if (textContent.endsWith("\n")) { + textContent = textContent.slice(0, -1) + } + return textContent +} diff --git a/_static/debug.css b/_static/debug.css new file mode 100644 index 000000000..74d4aec33 --- /dev/null +++ b/_static/debug.css @@ -0,0 +1,69 @@ +/* + This CSS file should be overridden by the theme authors. It's + meant for debugging and developing the skeleton that this theme provides. +*/ +body { + font-family: -apple-system, "Segoe UI", Roboto, Helvetica, Arial, sans-serif, + "Apple Color Emoji", "Segoe UI Emoji"; + background: lavender; +} +.sb-announcement { + background: rgb(131, 131, 131); +} +.sb-announcement__inner { + background: black; + color: white; +} +.sb-header { + background: lightskyblue; +} +.sb-header__inner { + background: royalblue; + color: white; +} +.sb-header-secondary { + background: lightcyan; +} +.sb-header-secondary__inner { + background: cornflowerblue; + color: white; +} +.sb-sidebar-primary { + background: lightgreen; +} +.sb-main { + background: blanchedalmond; +} +.sb-main__inner { + background: antiquewhite; +} +.sb-header-article { + background: lightsteelblue; +} +.sb-article-container { + background: snow; +} +.sb-article-main { + background: white; +} +.sb-footer-article { + background: lightpink; +} +.sb-sidebar-secondary { + background: lightgoldenrodyellow; +} +.sb-footer-content { + background: plum; +} +.sb-footer-content__inner { + background: palevioletred; +} +.sb-footer { + background: pink; +} +.sb-footer__inner { + background: salmon; +} +.sb-article { + background: white; +} diff --git a/_static/design-tabs.js b/_static/design-tabs.js new file mode 100644 index 000000000..b25bd6a4f --- /dev/null +++ b/_static/design-tabs.js @@ -0,0 +1,101 @@ +// @ts-check + +// Extra JS capability for selected tabs to be synced +// The selection is stored in local storage so that it persists across page loads. + +/** + * @type {Record} + */ +let sd_id_to_elements = {}; +const storageKeyPrefix = "sphinx-design-tab-id-"; + +/** + * Create a key for a tab element. + * @param {HTMLElement} el - The tab element. + * @returns {[string, string, string] | null} - The key. + * + */ +function create_key(el) { + let syncId = el.getAttribute("data-sync-id"); + let syncGroup = el.getAttribute("data-sync-group"); + if (!syncId || !syncGroup) return null; + return [syncGroup, syncId, syncGroup + "--" + syncId]; +} + +/** + * Initialize the tab selection. + * + */ +function ready() { + // Find all tabs with sync data + + /** @type {string[]} */ + let groups = []; + + document.querySelectorAll(".sd-tab-label").forEach((label) => { + if (label instanceof HTMLElement) { + let data = create_key(label); + if (data) { + let [group, id, key] = data; + + // add click event listener + // @ts-ignore + label.onclick = onSDLabelClick; + + // store map of key to elements + if (!sd_id_to_elements[key]) { + sd_id_to_elements[key] = []; + } + sd_id_to_elements[key].push(label); + + if (groups.indexOf(group) === -1) { + groups.push(group); + // Check if a specific tab has been selected via URL parameter + const tabParam = new URLSearchParams(window.location.search).get( + group + ); + if (tabParam) { + console.log( + "sphinx-design: Selecting tab id for group '" + + group + + "' from URL parameter: " + + tabParam + ); + window.sessionStorage.setItem(storageKeyPrefix + group, tabParam); + } + } + + // Check is a specific tab has been selected previously + let previousId = window.sessionStorage.getItem( + storageKeyPrefix + group + ); + if (previousId === id) { + // console.log( + // "sphinx-design: Selecting tab from session storage: " + id + // ); + // @ts-ignore + label.previousElementSibling.checked = true; + } + } + } + }); +} + +/** + * Activate other tabs with the same sync id. + * + * @this {HTMLElement} - The element that was clicked. + */ +function onSDLabelClick() { + let data = create_key(this); + if (!data) return; + let [group, id, key] = data; + for (const label of sd_id_to_elements[key]) { + if (label === this) continue; + // @ts-ignore + label.previousElementSibling.checked = true; + } + window.sessionStorage.setItem(storageKeyPrefix + group, id); +} + +document.addEventListener("DOMContentLoaded", ready, false); diff --git a/_static/doctools.js b/_static/doctools.js new file mode 100644 index 000000000..807cdb176 --- /dev/null +++ b/_static/doctools.js @@ -0,0 +1,150 @@ +/* + * Base JavaScript utilities for all Sphinx HTML documentation. + */ +"use strict"; + +const BLACKLISTED_KEY_CONTROL_ELEMENTS = new Set([ + "TEXTAREA", + "INPUT", + "SELECT", + "BUTTON", +]); + +const _ready = (callback) => { + if (document.readyState !== "loading") { + callback(); + } else { + document.addEventListener("DOMContentLoaded", callback); + } +}; + +/** + * Small JavaScript module for the documentation. + */ +const Documentation = { + init: () => { + Documentation.initDomainIndexTable(); + Documentation.initOnKeyListeners(); + }, + + /** + * i18n support + */ + TRANSLATIONS: {}, + PLURAL_EXPR: (n) => (n === 1 ? 0 : 1), + LOCALE: "unknown", + + // gettext and ngettext don't access this so that the functions + // can safely bound to a different name (_ = Documentation.gettext) + gettext: (string) => { + const translated = Documentation.TRANSLATIONS[string]; + switch (typeof translated) { + case "undefined": + return string; // no translation + case "string": + return translated; // translation exists + default: + return translated[0]; // (singular, plural) translation tuple exists + } + }, + + ngettext: (singular, plural, n) => { + const translated = Documentation.TRANSLATIONS[singular]; + if (typeof translated !== "undefined") + return translated[Documentation.PLURAL_EXPR(n)]; + return n === 1 ? singular : plural; + }, + + addTranslations: (catalog) => { + Object.assign(Documentation.TRANSLATIONS, catalog.messages); + Documentation.PLURAL_EXPR = new Function( + "n", + `return (${catalog.plural_expr})`, + ); + Documentation.LOCALE = catalog.locale; + }, + + /** + * helper function to focus on search bar + */ + focusSearchBar: () => { + document.querySelectorAll("input[name=q]")[0]?.focus(); + }, + + /** + * Initialise the domain index toggle buttons + */ + initDomainIndexTable: () => { + const toggler = (el) => { + const idNumber = el.id.substr(7); + const toggledRows = document.querySelectorAll(`tr.cg-${idNumber}`); + if (el.src.substr(-9) === "minus.png") { + el.src = `${el.src.substr(0, el.src.length - 9)}plus.png`; + toggledRows.forEach((el) => (el.style.display = "none")); + } else { + el.src = `${el.src.substr(0, el.src.length - 8)}minus.png`; + toggledRows.forEach((el) => (el.style.display = "")); + } + }; + + const togglerElements = document.querySelectorAll("img.toggler"); + togglerElements.forEach((el) => + el.addEventListener("click", (event) => toggler(event.currentTarget)), + ); + togglerElements.forEach((el) => (el.style.display = "")); + if (DOCUMENTATION_OPTIONS.COLLAPSE_INDEX) togglerElements.forEach(toggler); + }, + + initOnKeyListeners: () => { + // only install a listener if it is really needed + if ( + !DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS + && !DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS + ) + return; + + document.addEventListener("keydown", (event) => { + // bail for input elements + if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) + return; + // bail with special keys + if (event.altKey || event.ctrlKey || event.metaKey) return; + + if (!event.shiftKey) { + switch (event.key) { + case "ArrowLeft": + if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; + + const prevLink = document.querySelector('link[rel="prev"]'); + if (prevLink && prevLink.href) { + window.location.href = prevLink.href; + event.preventDefault(); + } + break; + case "ArrowRight": + if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; + + const nextLink = document.querySelector('link[rel="next"]'); + if (nextLink && nextLink.href) { + window.location.href = nextLink.href; + event.preventDefault(); + } + break; + } + } + + // some keyboard layouts may need Shift to get / + switch (event.key) { + case "/": + if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) break; + Documentation.focusSearchBar(); + event.preventDefault(); + } + }); + }, +}; + +// quick alias for translations +const _ = Documentation.gettext; + +_ready(Documentation.init); diff --git a/_static/documentation_options.js b/_static/documentation_options.js new file mode 100644 index 000000000..7e4c114f2 --- /dev/null +++ b/_static/documentation_options.js @@ -0,0 +1,13 @@ +const DOCUMENTATION_OPTIONS = { + VERSION: '', + LANGUAGE: 'en', + COLLAPSE_INDEX: false, + BUILDER: 'html', + FILE_SUFFIX: '.html', + LINK_SUFFIX: '.html', + HAS_SOURCE: true, + SOURCELINK_SUFFIX: '.txt', + NAVIGATION_WITH_KEYS: false, + SHOW_SEARCH_SUMMARY: true, + ENABLE_SEARCH_SHORTCUTS: true, +}; \ No newline at end of file diff --git a/_static/english-stemmer.js b/_static/english-stemmer.js new file mode 100644 index 000000000..056760ee8 --- /dev/null +++ b/_static/english-stemmer.js @@ -0,0 +1,1066 @@ +// Generated from english.sbl by Snowball 3.0.1 - https://snowballstem.org/ + +/**@constructor*/ +var EnglishStemmer = function() { + var base = new BaseStemmer(); + + /** @const */ var a_0 = [ + ["arsen", -1, -1], + ["commun", -1, -1], + ["emerg", -1, -1], + ["gener", -1, -1], + ["later", -1, -1], + ["organ", -1, -1], + ["past", -1, -1], + ["univers", -1, -1] + ]; + + /** @const */ var a_1 = [ + ["'", -1, 1], + ["'s'", 0, 1], + ["'s", -1, 1] + ]; + + /** @const */ var a_2 = [ + ["ied", -1, 2], + ["s", -1, 3], + ["ies", 1, 2], + ["sses", 1, 1], + ["ss", 1, -1], + ["us", 1, -1] + ]; + + /** @const */ var a_3 = [ + ["succ", -1, 1], + ["proc", -1, 1], + ["exc", -1, 1] + ]; + + /** @const */ var a_4 = [ + ["even", -1, 2], + ["cann", -1, 2], + ["inn", -1, 2], + ["earr", -1, 2], + ["herr", -1, 2], + ["out", -1, 2], + ["y", -1, 1] + ]; + + /** @const */ var a_5 = [ + ["", -1, -1], + ["ed", 0, 2], + ["eed", 1, 1], + ["ing", 0, 3], + ["edly", 0, 2], + ["eedly", 4, 1], + ["ingly", 0, 2] + ]; + + /** @const */ var a_6 = [ + ["", -1, 3], + ["bb", 0, 2], + ["dd", 0, 2], + ["ff", 0, 2], + ["gg", 0, 2], + ["bl", 0, 1], + ["mm", 0, 2], + ["nn", 0, 2], + ["pp", 0, 2], + ["rr", 0, 2], + ["at", 0, 1], + ["tt", 0, 2], + ["iz", 0, 1] + ]; + + /** @const */ var a_7 = [ + ["anci", -1, 3], + ["enci", -1, 2], + ["ogi", -1, 14], + ["li", -1, 16], + ["bli", 3, 12], + ["abli", 4, 4], + ["alli", 3, 8], + ["fulli", 3, 9], + ["lessli", 3, 15], + ["ousli", 3, 10], + ["entli", 3, 5], + ["aliti", -1, 8], + ["biliti", -1, 12], + ["iviti", -1, 11], + ["tional", -1, 1], + ["ational", 14, 7], + ["alism", -1, 8], + ["ation", -1, 7], + ["ization", 17, 6], + ["izer", -1, 6], + ["ator", -1, 7], + ["iveness", -1, 11], + ["fulness", -1, 9], + ["ousness", -1, 10], + ["ogist", -1, 13] + ]; + + /** @const */ var a_8 = [ + ["icate", -1, 4], + ["ative", -1, 6], + ["alize", -1, 3], + ["iciti", -1, 4], + ["ical", -1, 4], + ["tional", -1, 1], + ["ational", 5, 2], + ["ful", -1, 5], + ["ness", -1, 5] + ]; + + /** @const */ var a_9 = [ + ["ic", -1, 1], + ["ance", -1, 1], + ["ence", -1, 1], + ["able", -1, 1], + ["ible", -1, 1], + ["ate", -1, 1], + ["ive", -1, 1], + ["ize", -1, 1], + ["iti", -1, 1], + ["al", -1, 1], + ["ism", -1, 1], + ["ion", -1, 2], + ["er", -1, 1], + ["ous", -1, 1], + ["ant", -1, 1], + ["ent", -1, 1], + ["ment", 15, 1], + ["ement", 16, 1] + ]; + + /** @const */ var a_10 = [ + ["e", -1, 1], + ["l", -1, 2] + ]; + + /** @const */ var a_11 = [ + ["andes", -1, -1], + ["atlas", -1, -1], + ["bias", -1, -1], + ["cosmos", -1, -1], + ["early", -1, 5], + ["gently", -1, 3], + ["howe", -1, -1], + ["idly", -1, 2], + ["news", -1, -1], + ["only", -1, 6], + ["singly", -1, 7], + ["skies", -1, 1], + ["sky", -1, -1], + ["ugly", -1, 4] + ]; + + /** @const */ var /** Array */ g_aeo = [17, 64]; + + /** @const */ var /** Array */ g_v = [17, 65, 16, 1]; + + /** @const */ var /** Array */ g_v_WXY = [1, 17, 65, 208, 1]; + + /** @const */ var /** Array */ g_valid_LI = [55, 141, 2]; + + var /** boolean */ B_Y_found = false; + var /** number */ I_p2 = 0; + var /** number */ I_p1 = 0; + + + /** @return {boolean} */ + function r_prelude() { + B_Y_found = false; + /** @const */ var /** number */ v_1 = base.cursor; + lab0: { + base.bra = base.cursor; + if (!(base.eq_s("'"))) + { + break lab0; + } + base.ket = base.cursor; + if (!base.slice_del()) + { + return false; + } + } + base.cursor = v_1; + /** @const */ var /** number */ v_2 = base.cursor; + lab1: { + base.bra = base.cursor; + if (!(base.eq_s("y"))) + { + break lab1; + } + base.ket = base.cursor; + if (!base.slice_from("Y")) + { + return false; + } + B_Y_found = true; + } + base.cursor = v_2; + /** @const */ var /** number */ v_3 = base.cursor; + lab2: { + while(true) + { + /** @const */ var /** number */ v_4 = base.cursor; + lab3: { + golab4: while(true) + { + /** @const */ var /** number */ v_5 = base.cursor; + lab5: { + if (!(base.in_grouping(g_v, 97, 121))) + { + break lab5; + } + base.bra = base.cursor; + if (!(base.eq_s("y"))) + { + break lab5; + } + base.ket = base.cursor; + base.cursor = v_5; + break golab4; + } + base.cursor = v_5; + if (base.cursor >= base.limit) + { + break lab3; + } + base.cursor++; + } + if (!base.slice_from("Y")) + { + return false; + } + B_Y_found = true; + continue; + } + base.cursor = v_4; + break; + } + } + base.cursor = v_3; + return true; + }; + + /** @return {boolean} */ + function r_mark_regions() { + I_p1 = base.limit; + I_p2 = base.limit; + /** @const */ var /** number */ v_1 = base.cursor; + lab0: { + lab1: { + /** @const */ var /** number */ v_2 = base.cursor; + lab2: { + if (base.find_among(a_0) == 0) + { + break lab2; + } + break lab1; + } + base.cursor = v_2; + if (!base.go_out_grouping(g_v, 97, 121)) + { + break lab0; + } + base.cursor++; + if (!base.go_in_grouping(g_v, 97, 121)) + { + break lab0; + } + base.cursor++; + } + I_p1 = base.cursor; + if (!base.go_out_grouping(g_v, 97, 121)) + { + break lab0; + } + base.cursor++; + if (!base.go_in_grouping(g_v, 97, 121)) + { + break lab0; + } + base.cursor++; + I_p2 = base.cursor; + } + base.cursor = v_1; + return true; + }; + + /** @return {boolean} */ + function r_shortv() { + lab0: { + /** @const */ var /** number */ v_1 = base.limit - base.cursor; + lab1: { + if (!(base.out_grouping_b(g_v_WXY, 89, 121))) + { + break lab1; + } + if (!(base.in_grouping_b(g_v, 97, 121))) + { + break lab1; + } + if (!(base.out_grouping_b(g_v, 97, 121))) + { + break lab1; + } + break lab0; + } + base.cursor = base.limit - v_1; + lab2: { + if (!(base.out_grouping_b(g_v, 97, 121))) + { + break lab2; + } + if (!(base.in_grouping_b(g_v, 97, 121))) + { + break lab2; + } + if (base.cursor > base.limit_backward) + { + break lab2; + } + break lab0; + } + base.cursor = base.limit - v_1; + if (!(base.eq_s_b("past"))) + { + return false; + } + } + return true; + }; + + /** @return {boolean} */ + function r_R1() { + return I_p1 <= base.cursor; + }; + + /** @return {boolean} */ + function r_R2() { + return I_p2 <= base.cursor; + }; + + /** @return {boolean} */ + function r_Step_1a() { + var /** number */ among_var; + /** @const */ var /** number */ v_1 = base.limit - base.cursor; + lab0: { + base.ket = base.cursor; + if (base.find_among_b(a_1) == 0) + { + base.cursor = base.limit - v_1; + break lab0; + } + base.bra = base.cursor; + if (!base.slice_del()) + { + return false; + } + } + base.ket = base.cursor; + among_var = base.find_among_b(a_2); + if (among_var == 0) + { + return false; + } + base.bra = base.cursor; + switch (among_var) { + case 1: + if (!base.slice_from("ss")) + { + return false; + } + break; + case 2: + lab1: { + /** @const */ var /** number */ v_2 = base.limit - base.cursor; + lab2: { + { + /** @const */ var /** number */ c1 = base.cursor - 2; + if (c1 < base.limit_backward) + { + break lab2; + } + base.cursor = c1; + } + if (!base.slice_from("i")) + { + return false; + } + break lab1; + } + base.cursor = base.limit - v_2; + if (!base.slice_from("ie")) + { + return false; + } + } + break; + case 3: + if (base.cursor <= base.limit_backward) + { + return false; + } + base.cursor--; + if (!base.go_out_grouping_b(g_v, 97, 121)) + { + return false; + } + base.cursor--; + if (!base.slice_del()) + { + return false; + } + break; + } + return true; + }; + + /** @return {boolean} */ + function r_Step_1b() { + var /** number */ among_var; + base.ket = base.cursor; + among_var = base.find_among_b(a_5); + base.bra = base.cursor; + lab0: { + /** @const */ var /** number */ v_1 = base.limit - base.cursor; + lab1: { + switch (among_var) { + case 1: + /** @const */ var /** number */ v_2 = base.limit - base.cursor; + lab2: { + lab3: { + /** @const */ var /** number */ v_3 = base.limit - base.cursor; + lab4: { + if (base.find_among_b(a_3) == 0) + { + break lab4; + } + if (base.cursor > base.limit_backward) + { + break lab4; + } + break lab3; + } + base.cursor = base.limit - v_3; + if (!r_R1()) + { + break lab2; + } + if (!base.slice_from("ee")) + { + return false; + } + } + } + base.cursor = base.limit - v_2; + break; + case 2: + break lab1; + case 3: + among_var = base.find_among_b(a_4); + if (among_var == 0) + { + break lab1; + } + switch (among_var) { + case 1: + /** @const */ var /** number */ v_4 = base.limit - base.cursor; + if (!(base.out_grouping_b(g_v, 97, 121))) + { + break lab1; + } + if (base.cursor > base.limit_backward) + { + break lab1; + } + base.cursor = base.limit - v_4; + base.bra = base.cursor; + if (!base.slice_from("ie")) + { + return false; + } + break; + case 2: + if (base.cursor > base.limit_backward) + { + break lab1; + } + break; + } + break; + } + break lab0; + } + base.cursor = base.limit - v_1; + /** @const */ var /** number */ v_5 = base.limit - base.cursor; + if (!base.go_out_grouping_b(g_v, 97, 121)) + { + return false; + } + base.cursor--; + base.cursor = base.limit - v_5; + if (!base.slice_del()) + { + return false; + } + base.ket = base.cursor; + base.bra = base.cursor; + /** @const */ var /** number */ v_6 = base.limit - base.cursor; + among_var = base.find_among_b(a_6); + switch (among_var) { + case 1: + if (!base.slice_from("e")) + { + return false; + } + return false; + case 2: + { + /** @const */ var /** number */ v_7 = base.limit - base.cursor; + lab5: { + if (!(base.in_grouping_b(g_aeo, 97, 111))) + { + break lab5; + } + if (base.cursor > base.limit_backward) + { + break lab5; + } + return false; + } + base.cursor = base.limit - v_7; + } + break; + case 3: + if (base.cursor != I_p1) + { + return false; + } + /** @const */ var /** number */ v_8 = base.limit - base.cursor; + if (!r_shortv()) + { + return false; + } + base.cursor = base.limit - v_8; + if (!base.slice_from("e")) + { + return false; + } + return false; + } + base.cursor = base.limit - v_6; + base.ket = base.cursor; + if (base.cursor <= base.limit_backward) + { + return false; + } + base.cursor--; + base.bra = base.cursor; + if (!base.slice_del()) + { + return false; + } + } + return true; + }; + + /** @return {boolean} */ + function r_Step_1c() { + base.ket = base.cursor; + lab0: { + /** @const */ var /** number */ v_1 = base.limit - base.cursor; + lab1: { + if (!(base.eq_s_b("y"))) + { + break lab1; + } + break lab0; + } + base.cursor = base.limit - v_1; + if (!(base.eq_s_b("Y"))) + { + return false; + } + } + base.bra = base.cursor; + if (!(base.out_grouping_b(g_v, 97, 121))) + { + return false; + } + lab2: { + if (base.cursor > base.limit_backward) + { + break lab2; + } + return false; + } + if (!base.slice_from("i")) + { + return false; + } + return true; + }; + + /** @return {boolean} */ + function r_Step_2() { + var /** number */ among_var; + base.ket = base.cursor; + among_var = base.find_among_b(a_7); + if (among_var == 0) + { + return false; + } + base.bra = base.cursor; + if (!r_R1()) + { + return false; + } + switch (among_var) { + case 1: + if (!base.slice_from("tion")) + { + return false; + } + break; + case 2: + if (!base.slice_from("ence")) + { + return false; + } + break; + case 3: + if (!base.slice_from("ance")) + { + return false; + } + break; + case 4: + if (!base.slice_from("able")) + { + return false; + } + break; + case 5: + if (!base.slice_from("ent")) + { + return false; + } + break; + case 6: + if (!base.slice_from("ize")) + { + return false; + } + break; + case 7: + if (!base.slice_from("ate")) + { + return false; + } + break; + case 8: + if (!base.slice_from("al")) + { + return false; + } + break; + case 9: + if (!base.slice_from("ful")) + { + return false; + } + break; + case 10: + if (!base.slice_from("ous")) + { + return false; + } + break; + case 11: + if (!base.slice_from("ive")) + { + return false; + } + break; + case 12: + if (!base.slice_from("ble")) + { + return false; + } + break; + case 13: + if (!base.slice_from("og")) + { + return false; + } + break; + case 14: + if (!(base.eq_s_b("l"))) + { + return false; + } + if (!base.slice_from("og")) + { + return false; + } + break; + case 15: + if (!base.slice_from("less")) + { + return false; + } + break; + case 16: + if (!(base.in_grouping_b(g_valid_LI, 99, 116))) + { + return false; + } + if (!base.slice_del()) + { + return false; + } + break; + } + return true; + }; + + /** @return {boolean} */ + function r_Step_3() { + var /** number */ among_var; + base.ket = base.cursor; + among_var = base.find_among_b(a_8); + if (among_var == 0) + { + return false; + } + base.bra = base.cursor; + if (!r_R1()) + { + return false; + } + switch (among_var) { + case 1: + if (!base.slice_from("tion")) + { + return false; + } + break; + case 2: + if (!base.slice_from("ate")) + { + return false; + } + break; + case 3: + if (!base.slice_from("al")) + { + return false; + } + break; + case 4: + if (!base.slice_from("ic")) + { + return false; + } + break; + case 5: + if (!base.slice_del()) + { + return false; + } + break; + case 6: + if (!r_R2()) + { + return false; + } + if (!base.slice_del()) + { + return false; + } + break; + } + return true; + }; + + /** @return {boolean} */ + function r_Step_4() { + var /** number */ among_var; + base.ket = base.cursor; + among_var = base.find_among_b(a_9); + if (among_var == 0) + { + return false; + } + base.bra = base.cursor; + if (!r_R2()) + { + return false; + } + switch (among_var) { + case 1: + if (!base.slice_del()) + { + return false; + } + break; + case 2: + lab0: { + /** @const */ var /** number */ v_1 = base.limit - base.cursor; + lab1: { + if (!(base.eq_s_b("s"))) + { + break lab1; + } + break lab0; + } + base.cursor = base.limit - v_1; + if (!(base.eq_s_b("t"))) + { + return false; + } + } + if (!base.slice_del()) + { + return false; + } + break; + } + return true; + }; + + /** @return {boolean} */ + function r_Step_5() { + var /** number */ among_var; + base.ket = base.cursor; + among_var = base.find_among_b(a_10); + if (among_var == 0) + { + return false; + } + base.bra = base.cursor; + switch (among_var) { + case 1: + lab0: { + lab1: { + if (!r_R2()) + { + break lab1; + } + break lab0; + } + if (!r_R1()) + { + return false; + } + { + /** @const */ var /** number */ v_1 = base.limit - base.cursor; + lab2: { + if (!r_shortv()) + { + break lab2; + } + return false; + } + base.cursor = base.limit - v_1; + } + } + if (!base.slice_del()) + { + return false; + } + break; + case 2: + if (!r_R2()) + { + return false; + } + if (!(base.eq_s_b("l"))) + { + return false; + } + if (!base.slice_del()) + { + return false; + } + break; + } + return true; + }; + + /** @return {boolean} */ + function r_exception1() { + var /** number */ among_var; + base.bra = base.cursor; + among_var = base.find_among(a_11); + if (among_var == 0) + { + return false; + } + base.ket = base.cursor; + if (base.cursor < base.limit) + { + return false; + } + switch (among_var) { + case 1: + if (!base.slice_from("sky")) + { + return false; + } + break; + case 2: + if (!base.slice_from("idl")) + { + return false; + } + break; + case 3: + if (!base.slice_from("gentl")) + { + return false; + } + break; + case 4: + if (!base.slice_from("ugli")) + { + return false; + } + break; + case 5: + if (!base.slice_from("earli")) + { + return false; + } + break; + case 6: + if (!base.slice_from("onli")) + { + return false; + } + break; + case 7: + if (!base.slice_from("singl")) + { + return false; + } + break; + } + return true; + }; + + /** @return {boolean} */ + function r_postlude() { + if (!B_Y_found) + { + return false; + } + while(true) + { + /** @const */ var /** number */ v_1 = base.cursor; + lab0: { + golab1: while(true) + { + /** @const */ var /** number */ v_2 = base.cursor; + lab2: { + base.bra = base.cursor; + if (!(base.eq_s("Y"))) + { + break lab2; + } + base.ket = base.cursor; + base.cursor = v_2; + break golab1; + } + base.cursor = v_2; + if (base.cursor >= base.limit) + { + break lab0; + } + base.cursor++; + } + if (!base.slice_from("y")) + { + return false; + } + continue; + } + base.cursor = v_1; + break; + } + return true; + }; + + this.stem = /** @return {boolean} */ function() { + lab0: { + /** @const */ var /** number */ v_1 = base.cursor; + lab1: { + if (!r_exception1()) + { + break lab1; + } + break lab0; + } + base.cursor = v_1; + lab2: { + { + /** @const */ var /** number */ v_2 = base.cursor; + lab3: { + { + /** @const */ var /** number */ c1 = base.cursor + 3; + if (c1 > base.limit) + { + break lab3; + } + base.cursor = c1; + } + break lab2; + } + base.cursor = v_2; + } + break lab0; + } + base.cursor = v_1; + r_prelude(); + r_mark_regions(); + base.limit_backward = base.cursor; base.cursor = base.limit; + /** @const */ var /** number */ v_3 = base.limit - base.cursor; + r_Step_1a(); + base.cursor = base.limit - v_3; + /** @const */ var /** number */ v_4 = base.limit - base.cursor; + r_Step_1b(); + base.cursor = base.limit - v_4; + /** @const */ var /** number */ v_5 = base.limit - base.cursor; + r_Step_1c(); + base.cursor = base.limit - v_5; + /** @const */ var /** number */ v_6 = base.limit - base.cursor; + r_Step_2(); + base.cursor = base.limit - v_6; + /** @const */ var /** number */ v_7 = base.limit - base.cursor; + r_Step_3(); + base.cursor = base.limit - v_7; + /** @const */ var /** number */ v_8 = base.limit - base.cursor; + r_Step_4(); + base.cursor = base.limit - v_8; + /** @const */ var /** number */ v_9 = base.limit - base.cursor; + r_Step_5(); + base.cursor = base.limit - v_9; + base.cursor = base.limit_backward; + /** @const */ var /** number */ v_10 = base.cursor; + r_postlude(); + base.cursor = v_10; + } + return true; + }; + + /**@return{string}*/ + this['stemWord'] = function(/**string*/word) { + base.setCurrent(word); + this.stem(); + return base.getCurrent(); + }; +}; diff --git a/_static/file.png b/_static/file.png new file mode 100644 index 000000000..a858a410e Binary files /dev/null and b/_static/file.png differ diff --git a/_static/language_data.js b/_static/language_data.js new file mode 100644 index 000000000..577678642 --- /dev/null +++ b/_static/language_data.js @@ -0,0 +1,13 @@ +/* + * This script contains the language-specific data used by searchtools.js, + * namely the set of stopwords, stemmer, scorer and splitter. + */ + +const stopwords = new Set(["a", "about", "above", "after", "again", "against", "all", "am", "an", "and", "any", "are", "aren't", "as", "at", "be", "because", "been", "before", "being", "below", "between", "both", "but", "by", "can't", "cannot", "could", "couldn't", "did", "didn't", "do", "does", "doesn't", "doing", "don't", "down", "during", "each", "few", "for", "from", "further", "had", "hadn't", "has", "hasn't", "have", "haven't", "having", "he", "he'd", "he'll", "he's", "her", "here", "here's", "hers", "herself", "him", "himself", "his", "how", "how's", "i", "i'd", "i'll", "i'm", "i've", "if", "in", "into", "is", "isn't", "it", "it's", "its", "itself", "let's", "me", "more", "most", "mustn't", "my", "myself", "no", "nor", "not", "of", "off", "on", "once", "only", "or", "other", "ought", "our", "ours", "ourselves", "out", "over", "own", "same", "shan't", "she", "she'd", "she'll", "she's", "should", "shouldn't", "so", "some", "such", "than", "that", "that's", "the", "their", "theirs", "them", "themselves", "then", "there", "there's", "these", "they", "they'd", "they'll", "they're", "they've", "this", "those", "through", "to", "too", "under", "until", "up", "very", "was", "wasn't", "we", "we'd", "we'll", "we're", "we've", "were", "weren't", "what", "what's", "when", "when's", "where", "where's", "which", "while", "who", "who's", "whom", "why", "why's", "with", "won't", "would", "wouldn't", "you", "you'd", "you'll", "you're", "you've", "your", "yours", "yourself", "yourselves"]); +window.stopwords = stopwords; // Export to global scope + + +/* Non-minified versions are copied as separate JavaScript files, if available */ +BaseStemmer=function(){this.current="",this.cursor=0,this.limit=0,this.limit_backward=0,this.bra=0,this.ket=0,this.setCurrent=function(t){this.current=t,this.cursor=0,this.limit=this.current.length,this.limit_backward=0,this.bra=this.cursor,this.ket=this.limit},this.getCurrent=function(){return this.current},this.copy_from=function(t){this.current=t.current,this.cursor=t.cursor,this.limit=t.limit,this.limit_backward=t.limit_backward,this.bra=t.bra,this.ket=t.ket},this.in_grouping=function(t,r,i){return!(this.cursor>=this.limit||i<(i=this.current.charCodeAt(this.cursor))||i>>3]&1<<(7&i))||(this.cursor++,0))},this.go_in_grouping=function(t,r,i){for(;this.cursor>>3]&1<<(7&s)))return!0;this.cursor++}return!1},this.in_grouping_b=function(t,r,i){return!(this.cursor<=this.limit_backward||i<(i=this.current.charCodeAt(this.cursor-1))||i>>3]&1<<(7&i))||(this.cursor--,0))},this.go_in_grouping_b=function(t,r,i){for(;this.cursor>this.limit_backward;){var s=this.current.charCodeAt(this.cursor-1);if(i>>3]&1<<(7&s)))return!0;this.cursor--}return!1},this.out_grouping=function(t,r,i){return!(this.cursor>=this.limit)&&(i<(i=this.current.charCodeAt(this.cursor))||i>>3]&1<<(7&i)))&&(this.cursor++,!0)},this.go_out_grouping=function(t,r,i){for(;this.cursor>>3]&1<<(7&s)))return!0;this.cursor++}return!1},this.out_grouping_b=function(t,r,i){return!(this.cursor<=this.limit_backward)&&(i<(i=this.current.charCodeAt(this.cursor-1))||i>>3]&1<<(7&i)))&&(this.cursor--,!0)},this.go_out_grouping_b=function(t,r,i){for(;this.cursor>this.limit_backward;){var s=this.current.charCodeAt(this.cursor-1);if(s<=i&&r<=s&&0!=(t[(s-=r)>>>3]&1<<(7&s)))return!0;this.cursor--}return!1},this.eq_s=function(t){return!(this.limit-this.cursor>>1),o=0,a=e=(l=t[r])[0].length){if(this.cursor=s+l[0].length,l.length<4)return l[2];var g=l[3](this);if(this.cursor=s+l[0].length,g)return l[2]}}while(0<=(r=l[1]));return 0},this.find_among_b=function(t){for(var r=0,i=t.length,s=this.cursor,h=this.limit_backward,e=0,n=0,c=!1;;){for(var u,o=r+(i-r>>1),a=0,l=e=(u=t[r])[0].length){if(this.cursor=s-u[0].length,u.length<4)return u[2];var g=u[3](this);if(this.cursor=s-u[0].length,g)return u[2]}}while(0<=(r=u[1]));return 0},this.replace_s=function(t,r,i){var s=i.length-(r-t);return this.current=this.current.slice(0,t)+i+this.current.slice(r),this.limit+=s,this.cursor>=r?this.cursor+=s:this.cursor>t&&(this.cursor=t),s},this.slice_check=function(){return!(this.bra<0||this.bra>this.ket||this.ket>this.limit||this.limit>this.current.length)},this.slice_from=function(t){var r=!1;return this.slice_check()&&(this.replace_s(this.bra,this.ket,t),r=!0),r},this.slice_del=function(){return this.slice_from("")},this.insert=function(t,r,i){r=this.replace_s(t,r,i);t<=this.bra&&(this.bra+=r),t<=this.ket&&(this.ket+=r)},this.slice_to=function(){var t="";return t=this.slice_check()?this.current.slice(this.bra,this.ket):t},this.assign_to=function(){return this.current.slice(0,this.limit)}}; +var EnglishStemmer=function(){var a=new BaseStemmer,c=[["arsen",-1,-1],["commun",-1,-1],["emerg",-1,-1],["gener",-1,-1],["later",-1,-1],["organ",-1,-1],["past",-1,-1],["univers",-1,-1]],o=[["'",-1,1],["'s'",0,1],["'s",-1,1]],u=[["ied",-1,2],["s",-1,3],["ies",1,2],["sses",1,1],["ss",1,-1],["us",1,-1]],t=[["succ",-1,1],["proc",-1,1],["exc",-1,1]],l=[["even",-1,2],["cann",-1,2],["inn",-1,2],["earr",-1,2],["herr",-1,2],["out",-1,2],["y",-1,1]],n=[["",-1,-1],["ed",0,2],["eed",1,1],["ing",0,3],["edly",0,2],["eedly",4,1],["ingly",0,2]],f=[["",-1,3],["bb",0,2],["dd",0,2],["ff",0,2],["gg",0,2],["bl",0,1],["mm",0,2],["nn",0,2],["pp",0,2],["rr",0,2],["at",0,1],["tt",0,2],["iz",0,1]],_=[["anci",-1,3],["enci",-1,2],["ogi",-1,14],["li",-1,16],["bli",3,12],["abli",4,4],["alli",3,8],["fulli",3,9],["lessli",3,15],["ousli",3,10],["entli",3,5],["aliti",-1,8],["biliti",-1,12],["iviti",-1,11],["tional",-1,1],["ational",14,7],["alism",-1,8],["ation",-1,7],["ization",17,6],["izer",-1,6],["ator",-1,7],["iveness",-1,11],["fulness",-1,9],["ousness",-1,10],["ogist",-1,13]],m=[["icate",-1,4],["ative",-1,6],["alize",-1,3],["iciti",-1,4],["ical",-1,4],["tional",-1,1],["ational",5,2],["ful",-1,5],["ness",-1,5]],b=[["ic",-1,1],["ance",-1,1],["ence",-1,1],["able",-1,1],["ible",-1,1],["ate",-1,1],["ive",-1,1],["ize",-1,1],["iti",-1,1],["al",-1,1],["ism",-1,1],["ion",-1,2],["er",-1,1],["ous",-1,1],["ant",-1,1],["ent",-1,1],["ment",15,1],["ement",16,1]],k=[["e",-1,1],["l",-1,2]],g=[["andes",-1,-1],["atlas",-1,-1],["bias",-1,-1],["cosmos",-1,-1],["early",-1,5],["gently",-1,3],["howe",-1,-1],["idly",-1,2],["news",-1,-1],["only",-1,6],["singly",-1,7],["skies",-1,1],["sky",-1,-1],["ugly",-1,4]],d=[17,64],v=[17,65,16,1],i=[1,17,65,208,1],w=[55,141,2],p=!1,y=0,h=0;function q(){var r=a.limit-a.cursor;return!!(a.out_grouping_b(i,89,121)&&a.in_grouping_b(v,97,121)&&a.out_grouping_b(v,97,121)||(a.cursor=a.limit-r,a.out_grouping_b(v,97,121)&&a.in_grouping_b(v,97,121)&&!(a.cursor>a.limit_backward))||(a.cursor=a.limit-r,a.eq_s_b("past")))}function z(){return h<=a.cursor}function Y(){return y<=a.cursor}this.stem=function(){var r=a.cursor;if(!(()=>{var r;if(a.bra=a.cursor,0!=(r=a.find_among(g))&&(a.ket=a.cursor,!(a.cursora.limit)a.cursor=i;else{a.cursor=e,a.cursor=r,(()=>{p=!1;var r=a.cursor;if(a.bra=a.cursor,!a.eq_s("'")||(a.ket=a.cursor,a.slice_del())){a.cursor=r;r=a.cursor;if(a.bra=a.cursor,a.eq_s("y")){if(a.ket=a.cursor,!a.slice_from("Y"))return;p=!0}a.cursor=r;for(r=a.cursor;;){var i=a.cursor;r:{for(;;){var e=a.cursor;if(a.in_grouping(v,97,121)&&(a.bra=a.cursor,a.eq_s("y"))){a.ket=a.cursor,a.cursor=e;break}if(a.cursor=e,a.cursor>=a.limit)break r;a.cursor++}if(!a.slice_from("Y"))return;p=!0;continue}a.cursor=i;break}a.cursor=r}})(),h=a.limit,y=a.limit;i=a.cursor;r:{var s=a.cursor;if(0==a.find_among(c)){if(a.cursor=s,!a.go_out_grouping(v,97,121))break r;if(a.cursor++,!a.go_in_grouping(v,97,121))break r;a.cursor++}h=a.cursor,a.go_out_grouping(v,97,121)&&(a.cursor++,a.go_in_grouping(v,97,121))&&(a.cursor++,y=a.cursor)}a.cursor=i,a.limit_backward=a.cursor,a.cursor=a.limit;var e=a.limit-a.cursor,r=((()=>{var r=a.limit-a.cursor;if(a.ket=a.cursor,0==a.find_among_b(o))a.cursor=a.limit-r;else if(a.bra=a.cursor,!a.slice_del())return;if(a.ket=a.cursor,0!=(r=a.find_among_b(u)))switch(a.bra=a.cursor,r){case 1:if(a.slice_from("ss"))break;return;case 2:r:{var i=a.limit-a.cursor,e=a.cursor-2;if(!(e{a.ket=a.cursor,o=a.find_among_b(n),a.bra=a.cursor;r:{var r=a.limit-a.cursor;i:{switch(o){case 1:var i=a.limit-a.cursor;e:{var e=a.limit-a.cursor;if(0==a.find_among_b(t)||a.cursor>a.limit_backward){if(a.cursor=a.limit-e,!z())break e;if(!a.slice_from("ee"))return}}a.cursor=a.limit-i;break;case 2:break i;case 3:if(0==(o=a.find_among_b(l)))break i;switch(o){case 1:var s=a.limit-a.cursor;if(!a.out_grouping_b(v,97,121))break i;if(a.cursor>a.limit_backward)break i;if(a.cursor=a.limit-s,a.bra=a.cursor,a.slice_from("ie"))break;return;case 2:if(a.cursor>a.limit_backward)break i}}break r}a.cursor=a.limit-r;var c=a.limit-a.cursor;if(!a.go_out_grouping_b(v,97,121))return;if(a.cursor--,a.cursor=a.limit-c,!a.slice_del())return;a.ket=a.cursor,a.bra=a.cursor;var o,c=a.limit-a.cursor;switch(o=a.find_among_b(f)){case 1:return a.slice_from("e");case 2:var u=a.limit-a.cursor;if(a.in_grouping_b(d,97,111)&&!(a.cursor>a.limit_backward))return;a.cursor=a.limit-u;break;case 3:return a.cursor!=h||(u=a.limit-a.cursor,q()&&(a.cursor=a.limit-u,a.slice_from("e")))}if(a.cursor=a.limit-c,a.ket=a.cursor,a.cursor<=a.limit_backward)return;if(a.cursor--,a.bra=a.cursor,!a.slice_del())return}})(),a.cursor=a.limit-r,a.limit-a.cursor),r=(a.ket=a.cursor,e=a.limit-a.cursor,(a.eq_s_b("y")||(a.cursor=a.limit-e,a.eq_s_b("Y")))&&(a.bra=a.cursor,a.out_grouping_b(v,97,121))&&a.cursor>a.limit_backward&&a.slice_from("i"),a.cursor=a.limit-i,a.limit-a.cursor),e=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(_))&&(a.bra=a.cursor,z()))switch(r){case 1:if(a.slice_from("tion"))break;return;case 2:if(a.slice_from("ence"))break;return;case 3:if(a.slice_from("ance"))break;return;case 4:if(a.slice_from("able"))break;return;case 5:if(a.slice_from("ent"))break;return;case 6:if(a.slice_from("ize"))break;return;case 7:if(a.slice_from("ate"))break;return;case 8:if(a.slice_from("al"))break;return;case 9:if(a.slice_from("ful"))break;return;case 10:if(a.slice_from("ous"))break;return;case 11:if(a.slice_from("ive"))break;return;case 12:if(a.slice_from("ble"))break;return;case 13:if(a.slice_from("og"))break;return;case 14:if(!a.eq_s_b("l"))return;if(a.slice_from("og"))break;return;case 15:if(a.slice_from("less"))break;return;case 16:if(!a.in_grouping_b(w,99,116))return;if(a.slice_del())break}})(),a.cursor=a.limit-r,a.limit-a.cursor),i=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(m))&&(a.bra=a.cursor,z()))switch(r){case 1:if(a.slice_from("tion"))break;return;case 2:if(a.slice_from("ate"))break;return;case 3:if(a.slice_from("al"))break;return;case 4:if(a.slice_from("ic"))break;return;case 5:if(a.slice_del())break;return;case 6:if(!Y())return;if(a.slice_del())break}})(),a.cursor=a.limit-e,a.limit-a.cursor),r=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(b))&&(a.bra=a.cursor,Y()))switch(r){case 1:if(a.slice_del())break;return;case 2:var i=a.limit-a.cursor;if(!a.eq_s_b("s")&&(a.cursor=a.limit-i,!a.eq_s_b("t")))return;if(a.slice_del())break}})(),a.cursor=a.limit-i,a.limit-a.cursor),e=((()=>{var r;if(a.ket=a.cursor,0!=(r=a.find_among_b(k)))switch(a.bra=a.cursor,r){case 1:if(!Y()){if(!z())return;var i=a.limit-a.cursor;if(q())return;a.cursor=a.limit-i}if(a.slice_del())break;return;case 2:if(!Y())return;if(!a.eq_s_b("l"))return;if(a.slice_del())break}})(),a.cursor=a.limit-r,a.cursor=a.limit_backward,a.cursor);(()=>{if(p)for(;;){var r=a.cursor;r:{for(;;){var i=a.cursor;if(a.bra=a.cursor,a.eq_s("Y")){a.ket=a.cursor,a.cursor=i;break}if(a.cursor=i,a.cursor>=a.limit)break r;a.cursor++}if(a.slice_from("y"))continue;return}a.cursor=r;break}})(),a.cursor=e}}return!0},this.stemWord=function(r){return a.setCurrent(r),this.stem(),a.getCurrent()}}; +window.Stemmer = EnglishStemmer; diff --git a/_static/minus.png b/_static/minus.png new file mode 100644 index 000000000..d96755fda Binary files /dev/null and b/_static/minus.png differ diff --git a/_static/nbsphinx-broken-thumbnail.svg b/_static/nbsphinx-broken-thumbnail.svg new file mode 100644 index 000000000..4919ca882 --- /dev/null +++ b/_static/nbsphinx-broken-thumbnail.svg @@ -0,0 +1,9 @@ + + + + diff --git a/_static/nbsphinx-code-cells.css b/_static/nbsphinx-code-cells.css new file mode 100644 index 000000000..a3fb27c30 --- /dev/null +++ b/_static/nbsphinx-code-cells.css @@ -0,0 +1,259 @@ +/* remove conflicting styling from Sphinx themes */ +div.nbinput.container div.prompt *, +div.nboutput.container div.prompt *, +div.nbinput.container div.input_area pre, +div.nboutput.container div.output_area pre, +div.nbinput.container div.input_area .highlight, +div.nboutput.container div.output_area .highlight { + border: none; + padding: 0; + margin: 0; + box-shadow: none; +} + +div.nbinput.container > div[class*=highlight], +div.nboutput.container > div[class*=highlight] { + margin: 0; +} + +div.nbinput.container div.prompt *, +div.nboutput.container div.prompt * { + background: none; +} + +div.nboutput.container div.output_area .highlight, +div.nboutput.container div.output_area pre { + background: unset; +} + +div.nboutput.container div.output_area div.highlight { + color: unset; /* override Pygments text color */ +} + +/* avoid gaps between output lines */ +div.nboutput.container div[class*=highlight] pre { + line-height: normal; +} + +/* input/output containers */ +div.nbinput.container, +div.nboutput.container { + display: -webkit-flex; + display: flex; + align-items: flex-start; + margin: 0; + width: 100%; +} +@media (max-width: 540px) { + div.nbinput.container, + div.nboutput.container { + flex-direction: column; + } +} + +/* input container */ +div.nbinput.container { + padding-top: 5px; +} + +/* last container */ +div.nblast.container { + padding-bottom: 5px; +} + +/* input prompt */ +div.nbinput.container div.prompt pre, +/* for sphinx_immaterial theme: */ +div.nbinput.container div.prompt pre > code { + color: #307FC1; +} + +/* output prompt */ +div.nboutput.container div.prompt pre, +/* for sphinx_immaterial theme: */ +div.nboutput.container div.prompt pre > code { + color: #BF5B3D; +} + +/* all prompts */ +div.nbinput.container div.prompt, +div.nboutput.container div.prompt { + width: 4.5ex; + padding-top: 5px; + position: relative; + user-select: none; +} + +div.nbinput.container div.prompt > div, +div.nboutput.container div.prompt > div { + position: absolute; + right: 0; + margin-right: 0.3ex; +} + +@media (max-width: 540px) { + div.nbinput.container div.prompt, + div.nboutput.container div.prompt { + width: unset; + text-align: left; + padding: 0.4em; + } + div.nboutput.container div.prompt.empty { + padding: 0; + } + + div.nbinput.container div.prompt > div, + div.nboutput.container div.prompt > div { + position: unset; + } +} + +/* disable scrollbars and line breaks on prompts */ +div.nbinput.container div.prompt pre, +div.nboutput.container div.prompt pre { + overflow: hidden; + white-space: pre; +} + +/* input/output area */ +div.nbinput.container div.input_area, +div.nboutput.container div.output_area { + -webkit-flex: 1; + flex: 1; + overflow: auto; +} +@media (max-width: 540px) { + div.nbinput.container div.input_area, + div.nboutput.container div.output_area { + width: 100%; + } +} + +/* input area */ +div.nbinput.container div.input_area { + border: 1px solid #e0e0e0; + border-radius: 2px; + /*background: #f5f5f5;*/ +} + +/* override MathJax center alignment in output cells */ +div.nboutput.container div[class*=MathJax] { + text-align: left !important; +} + +/* override sphinx.ext.imgmath center alignment in output cells */ +div.nboutput.container div.math p { + text-align: left; +} + +/* standard error */ +div.nboutput.container div.output_area.stderr { + background: #fdd; +} + +/* ANSI colors */ +.ansi-black-fg { color: #3E424D; } +.ansi-black-bg { background-color: #3E424D; } +.ansi-black-intense-fg { color: #282C36; } +.ansi-black-intense-bg { background-color: #282C36; } +.ansi-red-fg { color: #E75C58; } +.ansi-red-bg { background-color: #E75C58; } +.ansi-red-intense-fg { color: #B22B31; } +.ansi-red-intense-bg { background-color: #B22B31; } +.ansi-green-fg { color: #00A250; } +.ansi-green-bg { background-color: #00A250; } +.ansi-green-intense-fg { color: #007427; } +.ansi-green-intense-bg { background-color: #007427; } +.ansi-yellow-fg { color: #DDB62B; } +.ansi-yellow-bg { background-color: #DDB62B; } +.ansi-yellow-intense-fg { color: #B27D12; } +.ansi-yellow-intense-bg { background-color: #B27D12; } +.ansi-blue-fg { color: #208FFB; } +.ansi-blue-bg { background-color: #208FFB; } +.ansi-blue-intense-fg { color: #0065CA; } +.ansi-blue-intense-bg { background-color: #0065CA; } +.ansi-magenta-fg { color: #D160C4; } +.ansi-magenta-bg { background-color: #D160C4; } +.ansi-magenta-intense-fg { color: #A03196; } +.ansi-magenta-intense-bg { background-color: #A03196; } +.ansi-cyan-fg { color: #60C6C8; } +.ansi-cyan-bg { background-color: #60C6C8; } +.ansi-cyan-intense-fg { color: #258F8F; } +.ansi-cyan-intense-bg { background-color: #258F8F; } +.ansi-white-fg { color: #C5C1B4; } +.ansi-white-bg { background-color: #C5C1B4; } +.ansi-white-intense-fg { color: #A1A6B2; } +.ansi-white-intense-bg { background-color: #A1A6B2; } + +.ansi-default-inverse-fg { color: #FFFFFF; } +.ansi-default-inverse-bg { background-color: #000000; } + +.ansi-bold { font-weight: bold; } +.ansi-underline { text-decoration: underline; } + + +div.nbinput.container div.input_area div[class*=highlight] > pre, +div.nboutput.container div.output_area div[class*=highlight] > pre, +div.nboutput.container div.output_area div[class*=highlight].math, +div.nboutput.container div.output_area.rendered_html, +div.nboutput.container div.output_area > div.output_javascript, +div.nboutput.container div.output_area:not(.rendered_html) > img{ + padding: 5px; + margin: 0; +} + +/* fix copybtn overflow problem in chromium (needed for 'sphinx_copybutton') */ +div.nbinput.container div.input_area > div[class^='highlight'], +div.nboutput.container div.output_area > div[class^='highlight']{ + overflow-y: hidden; +} + +/* hide copy button on prompts for 'sphinx_copybutton' extension ... */ +.prompt .copybtn, +/* ... and 'sphinx_immaterial' theme */ +.prompt .md-clipboard.md-icon { + display: none; +} + +/* Some additional styling taken form the Jupyter notebook CSS */ +.jp-RenderedHTMLCommon table, +div.rendered_html table { + border: none; + border-collapse: collapse; + border-spacing: 0; + color: black; + font-size: 12px; + table-layout: fixed; +} +.jp-RenderedHTMLCommon thead, +div.rendered_html thead { + border-bottom: 1px solid black; + vertical-align: bottom; +} +.jp-RenderedHTMLCommon tr, +.jp-RenderedHTMLCommon th, +.jp-RenderedHTMLCommon td, +div.rendered_html tr, +div.rendered_html th, +div.rendered_html td { + text-align: right; + vertical-align: middle; + padding: 0.5em 0.5em; + line-height: normal; + white-space: normal; + max-width: none; + border: none; +} +.jp-RenderedHTMLCommon th, +div.rendered_html th { + font-weight: bold; +} +.jp-RenderedHTMLCommon tbody tr:nth-child(odd), +div.rendered_html tbody tr:nth-child(odd) { + background: #f5f5f5; +} +.jp-RenderedHTMLCommon tbody tr:hover, +div.rendered_html tbody tr:hover { + background: rgba(66, 165, 245, 0.2); +} + diff --git a/_static/nbsphinx-gallery.css b/_static/nbsphinx-gallery.css new file mode 100644 index 000000000..365c27a96 --- /dev/null +++ b/_static/nbsphinx-gallery.css @@ -0,0 +1,31 @@ +.nbsphinx-gallery { + display: grid; + grid-template-columns: repeat(auto-fill, minmax(160px, 1fr)); + gap: 5px; + margin-top: 1em; + margin-bottom: 1em; +} + +.nbsphinx-gallery > a { + padding: 5px; + border: 1px dotted currentColor; + border-radius: 2px; + text-align: center; +} + +.nbsphinx-gallery > a:hover { + border-style: solid; +} + +.nbsphinx-gallery img { + max-width: 100%; + max-height: 100%; +} + +.nbsphinx-gallery > a > div:first-child { + display: flex; + align-items: start; + justify-content: center; + height: 120px; + margin-bottom: 5px; +} diff --git a/_static/nbsphinx-no-thumbnail.svg b/_static/nbsphinx-no-thumbnail.svg new file mode 100644 index 000000000..9dca7588f --- /dev/null +++ b/_static/nbsphinx-no-thumbnail.svg @@ -0,0 +1,9 @@ + + + + diff --git a/_static/plus.png b/_static/plus.png new file mode 100644 index 000000000..7107cec93 Binary files /dev/null and b/_static/plus.png differ diff --git a/_static/pygments.css b/_static/pygments.css new file mode 100644 index 000000000..9d1083bfc --- /dev/null +++ b/_static/pygments.css @@ -0,0 +1,250 @@ +.highlight pre { line-height: 125%; } +.highlight td.linenos .normal { color: inherit; background-color: transparent; padding-left: 5px; padding-right: 5px; } +.highlight span.linenos { color: inherit; background-color: transparent; padding-left: 5px; padding-right: 5px; } +.highlight td.linenos .special { color: #000000; background-color: #ffffc0; padding-left: 5px; padding-right: 5px; } +.highlight span.linenos.special { color: #000000; background-color: #ffffc0; padding-left: 5px; padding-right: 5px; } +.highlight .hll { background-color: #fdf2e2 } +.highlight { background: #f2f2f2; color: #1E1E1E } +.highlight .c { color: #515151 } /* Comment */ +.highlight .err { color: #D71835 } /* Error */ +.highlight .k { color: #8045E5 } /* Keyword */ +.highlight .l { color: #7F4707 } /* Literal */ +.highlight .n { color: #1E1E1E } /* Name */ +.highlight .o { color: #163 } /* Operator */ +.highlight .p { color: #1E1E1E } /* Punctuation */ +.highlight .ch { color: #515151 } /* Comment.Hashbang */ +.highlight .cm { color: #515151 } /* Comment.Multiline */ +.highlight .cp { color: #515151 } /* Comment.Preproc */ +.highlight .cpf { color: #515151 } /* Comment.PreprocFile */ +.highlight .c1 { color: #515151 } /* Comment.Single */ +.highlight .cs { color: #515151 } /* Comment.Special */ +.highlight .gd { color: #00749C } /* Generic.Deleted */ +.highlight .ge { font-style: italic } /* Generic.Emph */ +.highlight .gh { color: #00749C } /* Generic.Heading */ +.highlight .gs { font-weight: bold } /* Generic.Strong */ +.highlight .gu { color: #00749C } /* Generic.Subheading */ +.highlight .kc { color: #8045E5 } /* Keyword.Constant */ +.highlight .kd { color: #8045E5 } /* Keyword.Declaration */ +.highlight .kn { color: #8045E5 } /* Keyword.Namespace */ +.highlight .kp { color: #8045E5 } /* Keyword.Pseudo */ +.highlight .kr { color: #8045E5 } /* Keyword.Reserved */ +.highlight .kt { color: #7F4707 } /* Keyword.Type */ +.highlight .ld { color: #7F4707 } /* Literal.Date */ +.highlight .m { color: #7F4707 } /* Literal.Number */ +.highlight .s { color: #163 } /* Literal.String */ +.highlight .na { color: #7F4707 } /* Name.Attribute */ +.highlight .nb { color: #7F4707 } /* Name.Builtin */ +.highlight .nc { color: #00749C } /* Name.Class */ +.highlight .no { color: #00749C } /* Name.Constant */ +.highlight .nd { color: #7F4707 } /* Name.Decorator */ +.highlight .ni { color: #163 } /* Name.Entity */ +.highlight .ne { color: #8045E5 } /* Name.Exception */ +.highlight .nf { color: #00749C } /* Name.Function */ +.highlight .nl { color: #7F4707 } /* Name.Label */ +.highlight .nn { color: #1E1E1E } /* Name.Namespace */ +.highlight .nx { color: #1E1E1E } /* Name.Other */ +.highlight .py { color: #00749C } /* Name.Property */ +.highlight .nt { color: #00749C } /* Name.Tag */ +.highlight .nv { color: #D71835 } /* Name.Variable */ +.highlight .ow { color: #8045E5 } /* Operator.Word */ +.highlight .pm { color: #1E1E1E } /* Punctuation.Marker */ +.highlight .w { color: #1E1E1E } /* Text.Whitespace */ +.highlight .mb { color: #7F4707 } /* Literal.Number.Bin */ +.highlight .mf { color: #7F4707 } /* Literal.Number.Float */ +.highlight .mh { color: #7F4707 } /* Literal.Number.Hex */ +.highlight .mi { color: #7F4707 } /* Literal.Number.Integer */ +.highlight .mo { color: #7F4707 } /* Literal.Number.Oct */ +.highlight .sa { color: #163 } /* Literal.String.Affix */ +.highlight .sb { color: #163 } /* Literal.String.Backtick */ +.highlight .sc { color: #163 } /* Literal.String.Char */ +.highlight .dl { color: #163 } /* Literal.String.Delimiter */ +.highlight .sd { color: #163 } /* Literal.String.Doc */ +.highlight .s2 { color: #163 } /* Literal.String.Double */ +.highlight .se { color: #163 } /* Literal.String.Escape */ +.highlight .sh { color: #163 } /* Literal.String.Heredoc */ +.highlight .si { color: #163 } /* Literal.String.Interpol */ +.highlight .sx { color: #163 } /* Literal.String.Other */ +.highlight .sr { color: #D71835 } /* Literal.String.Regex */ +.highlight .s1 { color: #163 } /* Literal.String.Single */ +.highlight .ss { color: #00749C } /* Literal.String.Symbol */ +.highlight .bp { color: #7F4707 } /* Name.Builtin.Pseudo */ +.highlight .fm { color: #00749C } /* Name.Function.Magic */ +.highlight .vc { color: #D71835 } /* Name.Variable.Class */ +.highlight .vg { color: #D71835 } /* Name.Variable.Global */ +.highlight .vi { color: #D71835 } /* Name.Variable.Instance */ +.highlight .vm { color: #7F4707 } /* Name.Variable.Magic */ +.highlight .il { color: #7F4707 } /* Literal.Number.Integer.Long */ +@media not print { +body[data-theme="dark"] .highlight pre { line-height: 125%; } +body[data-theme="dark"] .highlight td.linenos .normal { color: #aaaaaa; background-color: transparent; padding-left: 5px; padding-right: 5px; } +body[data-theme="dark"] .highlight span.linenos { color: #aaaaaa; background-color: transparent; padding-left: 5px; padding-right: 5px; } +body[data-theme="dark"] .highlight td.linenos .special { color: #000000; background-color: #ffffc0; padding-left: 5px; padding-right: 5px; } +body[data-theme="dark"] .highlight span.linenos.special { color: #000000; background-color: #ffffc0; padding-left: 5px; padding-right: 5px; } +body[data-theme="dark"] .highlight .hll { background-color: #404040 } +body[data-theme="dark"] .highlight { background: #202020; color: #D0D0D0 } +body[data-theme="dark"] .highlight .c { color: #ABABAB; font-style: italic } /* Comment */ +body[data-theme="dark"] .highlight .err { color: #A61717; background-color: #E3D2D2 } /* Error */ +body[data-theme="dark"] .highlight .esc { color: #D0D0D0 } /* Escape */ +body[data-theme="dark"] .highlight .g { color: #D0D0D0 } /* Generic */ +body[data-theme="dark"] .highlight .k { color: #6EBF26; font-weight: bold } /* Keyword */ +body[data-theme="dark"] .highlight .l { color: #D0D0D0 } /* Literal */ +body[data-theme="dark"] .highlight .n { color: #D0D0D0 } /* Name */ +body[data-theme="dark"] .highlight .o { color: #D0D0D0 } /* Operator */ +body[data-theme="dark"] .highlight .x { color: #D0D0D0 } /* Other */ +body[data-theme="dark"] .highlight .p { color: #D0D0D0 } /* Punctuation */ +body[data-theme="dark"] .highlight .ch { color: #ABABAB; font-style: italic } /* Comment.Hashbang */ +body[data-theme="dark"] .highlight .cm { color: #ABABAB; font-style: italic } /* Comment.Multiline */ +body[data-theme="dark"] .highlight .cp { color: #FF3A3A; font-weight: bold } /* Comment.Preproc */ +body[data-theme="dark"] .highlight .cpf { color: #ABABAB; font-style: italic } /* Comment.PreprocFile */ +body[data-theme="dark"] .highlight .c1 { color: #ABABAB; font-style: italic } /* Comment.Single */ +body[data-theme="dark"] .highlight .cs { color: #E50808; font-weight: bold; background-color: #520000 } /* Comment.Special */ +body[data-theme="dark"] .highlight .gd { color: #FF3A3A } /* Generic.Deleted */ +body[data-theme="dark"] .highlight .ge { color: #D0D0D0; font-style: italic } /* Generic.Emph */ +body[data-theme="dark"] .highlight .ges { color: #D0D0D0; font-weight: bold; font-style: italic } /* Generic.EmphStrong */ +body[data-theme="dark"] .highlight .gr { color: #FF3A3A } /* Generic.Error */ +body[data-theme="dark"] .highlight .gh { color: #FFF; font-weight: bold } /* Generic.Heading */ +body[data-theme="dark"] .highlight .gi { color: #589819 } /* Generic.Inserted */ +body[data-theme="dark"] .highlight .go { color: #CCC } /* Generic.Output */ +body[data-theme="dark"] .highlight .gp { color: #AAA } /* Generic.Prompt */ +body[data-theme="dark"] .highlight .gs { color: #D0D0D0; font-weight: bold } /* Generic.Strong */ +body[data-theme="dark"] .highlight .gu { color: #FFF; text-decoration: underline } /* Generic.Subheading */ +body[data-theme="dark"] .highlight .gt { color: #FF3A3A } /* Generic.Traceback */ +body[data-theme="dark"] .highlight .kc { color: #6EBF26; font-weight: bold } /* Keyword.Constant */ +body[data-theme="dark"] .highlight .kd { color: #6EBF26; font-weight: bold } /* Keyword.Declaration */ +body[data-theme="dark"] .highlight .kn { color: #6EBF26; font-weight: bold } /* Keyword.Namespace */ +body[data-theme="dark"] .highlight .kp { color: #6EBF26 } /* Keyword.Pseudo */ +body[data-theme="dark"] .highlight .kr { color: #6EBF26; font-weight: bold } /* Keyword.Reserved */ +body[data-theme="dark"] .highlight .kt { color: #6EBF26; font-weight: bold } /* Keyword.Type */ +body[data-theme="dark"] .highlight .ld { color: #D0D0D0 } /* Literal.Date */ +body[data-theme="dark"] .highlight .m { color: #51B2FD } /* Literal.Number */ +body[data-theme="dark"] .highlight .s { color: #ED9D13 } /* Literal.String */ +body[data-theme="dark"] .highlight .na { color: #BBB } /* Name.Attribute */ +body[data-theme="dark"] .highlight .nb { color: #2FBCCD } /* Name.Builtin */ +body[data-theme="dark"] .highlight .nc { color: #71ADFF; text-decoration: underline } /* Name.Class */ +body[data-theme="dark"] .highlight .no { color: #40FFFF } /* Name.Constant */ +body[data-theme="dark"] .highlight .nd { color: #FFA500 } /* Name.Decorator */ +body[data-theme="dark"] .highlight .ni { color: #D0D0D0 } /* Name.Entity */ +body[data-theme="dark"] .highlight .ne { color: #BBB } /* Name.Exception */ +body[data-theme="dark"] .highlight .nf { color: #71ADFF } /* Name.Function */ +body[data-theme="dark"] .highlight .nl { color: #D0D0D0 } /* Name.Label */ +body[data-theme="dark"] .highlight .nn { color: #71ADFF; text-decoration: underline } /* Name.Namespace */ +body[data-theme="dark"] .highlight .nx { color: #D0D0D0 } /* Name.Other */ +body[data-theme="dark"] .highlight .py { color: #D0D0D0 } /* Name.Property */ +body[data-theme="dark"] .highlight .nt { color: #6EBF26; font-weight: bold } /* Name.Tag */ +body[data-theme="dark"] .highlight .nv { color: #40FFFF } /* Name.Variable */ +body[data-theme="dark"] .highlight .ow { color: #6EBF26; font-weight: bold } /* Operator.Word */ +body[data-theme="dark"] .highlight .pm { color: #D0D0D0 } /* Punctuation.Marker */ +body[data-theme="dark"] .highlight .w { color: #666 } /* Text.Whitespace */ +body[data-theme="dark"] .highlight .mb { color: #51B2FD } /* Literal.Number.Bin */ +body[data-theme="dark"] .highlight .mf { color: #51B2FD } /* Literal.Number.Float */ +body[data-theme="dark"] .highlight .mh { color: #51B2FD } /* Literal.Number.Hex */ +body[data-theme="dark"] .highlight .mi { color: #51B2FD } /* Literal.Number.Integer */ +body[data-theme="dark"] .highlight .mo { color: #51B2FD } /* Literal.Number.Oct */ +body[data-theme="dark"] .highlight .sa { color: #ED9D13 } /* Literal.String.Affix */ +body[data-theme="dark"] .highlight .sb { color: #ED9D13 } /* Literal.String.Backtick */ +body[data-theme="dark"] .highlight .sc { color: #ED9D13 } /* Literal.String.Char */ +body[data-theme="dark"] .highlight .dl { color: #ED9D13 } /* Literal.String.Delimiter */ +body[data-theme="dark"] .highlight .sd { color: #ED9D13 } /* Literal.String.Doc */ +body[data-theme="dark"] .highlight .s2 { color: #ED9D13 } /* Literal.String.Double */ +body[data-theme="dark"] .highlight .se { color: #ED9D13 } /* Literal.String.Escape */ +body[data-theme="dark"] .highlight .sh { color: #ED9D13 } /* Literal.String.Heredoc */ +body[data-theme="dark"] .highlight .si { color: #ED9D13 } /* Literal.String.Interpol */ +body[data-theme="dark"] .highlight .sx { color: #FFA500 } /* Literal.String.Other */ +body[data-theme="dark"] .highlight .sr { color: #ED9D13 } /* Literal.String.Regex */ +body[data-theme="dark"] .highlight .s1 { color: #ED9D13 } /* Literal.String.Single */ +body[data-theme="dark"] .highlight .ss { color: #ED9D13 } /* Literal.String.Symbol */ +body[data-theme="dark"] .highlight .bp { color: #2FBCCD } /* Name.Builtin.Pseudo */ +body[data-theme="dark"] .highlight .fm { color: #71ADFF } /* Name.Function.Magic */ +body[data-theme="dark"] .highlight .vc { color: #40FFFF } /* Name.Variable.Class */ +body[data-theme="dark"] .highlight .vg { color: #40FFFF } /* Name.Variable.Global */ +body[data-theme="dark"] .highlight .vi { color: #40FFFF } /* Name.Variable.Instance */ +body[data-theme="dark"] .highlight .vm { color: #40FFFF } /* Name.Variable.Magic */ +body[data-theme="dark"] .highlight .il { color: #51B2FD } /* Literal.Number.Integer.Long */ +@media (prefers-color-scheme: dark) { +body:not([data-theme="light"]) .highlight pre { line-height: 125%; } +body:not([data-theme="light"]) .highlight td.linenos .normal { color: #aaaaaa; background-color: transparent; padding-left: 5px; padding-right: 5px; } +body:not([data-theme="light"]) .highlight span.linenos { color: #aaaaaa; background-color: transparent; padding-left: 5px; padding-right: 5px; } +body:not([data-theme="light"]) .highlight td.linenos .special { color: #000000; background-color: #ffffc0; padding-left: 5px; padding-right: 5px; } +body:not([data-theme="light"]) .highlight span.linenos.special { color: #000000; background-color: #ffffc0; padding-left: 5px; padding-right: 5px; } +body:not([data-theme="light"]) .highlight .hll { background-color: #404040 } +body:not([data-theme="light"]) .highlight { background: #202020; color: #D0D0D0 } +body:not([data-theme="light"]) .highlight .c { color: #ABABAB; font-style: italic } /* Comment */ +body:not([data-theme="light"]) .highlight .err { color: #A61717; background-color: #E3D2D2 } /* Error */ +body:not([data-theme="light"]) .highlight .esc { color: #D0D0D0 } /* Escape */ +body:not([data-theme="light"]) .highlight .g { color: #D0D0D0 } /* Generic */ +body:not([data-theme="light"]) .highlight .k { color: #6EBF26; font-weight: bold } /* Keyword */ +body:not([data-theme="light"]) .highlight .l { color: #D0D0D0 } /* Literal */ +body:not([data-theme="light"]) .highlight .n { color: #D0D0D0 } /* Name */ +body:not([data-theme="light"]) .highlight .o { color: #D0D0D0 } /* Operator */ +body:not([data-theme="light"]) .highlight .x { color: #D0D0D0 } /* Other */ +body:not([data-theme="light"]) .highlight .p { color: #D0D0D0 } /* Punctuation */ +body:not([data-theme="light"]) .highlight .ch { color: #ABABAB; font-style: italic } /* Comment.Hashbang */ +body:not([data-theme="light"]) .highlight .cm { color: #ABABAB; font-style: italic } /* Comment.Multiline */ +body:not([data-theme="light"]) .highlight .cp { color: #FF3A3A; font-weight: bold } /* Comment.Preproc */ +body:not([data-theme="light"]) .highlight .cpf { color: #ABABAB; font-style: italic } /* Comment.PreprocFile */ +body:not([data-theme="light"]) .highlight .c1 { color: #ABABAB; font-style: italic } /* Comment.Single */ +body:not([data-theme="light"]) .highlight .cs { color: #E50808; font-weight: bold; background-color: #520000 } /* Comment.Special */ +body:not([data-theme="light"]) .highlight .gd { color: #FF3A3A } /* Generic.Deleted */ +body:not([data-theme="light"]) .highlight .ge { color: #D0D0D0; font-style: italic } /* Generic.Emph */ +body:not([data-theme="light"]) .highlight .ges { color: #D0D0D0; font-weight: bold; font-style: italic } /* Generic.EmphStrong */ +body:not([data-theme="light"]) .highlight .gr { color: #FF3A3A } /* Generic.Error */ +body:not([data-theme="light"]) .highlight .gh { color: #FFF; font-weight: bold } /* Generic.Heading */ +body:not([data-theme="light"]) .highlight .gi { color: #589819 } /* Generic.Inserted */ +body:not([data-theme="light"]) .highlight .go { color: #CCC } /* Generic.Output */ +body:not([data-theme="light"]) .highlight .gp { color: #AAA } /* Generic.Prompt */ +body:not([data-theme="light"]) .highlight .gs { color: #D0D0D0; font-weight: bold } /* Generic.Strong */ +body:not([data-theme="light"]) .highlight .gu { color: #FFF; text-decoration: underline } /* Generic.Subheading */ +body:not([data-theme="light"]) .highlight .gt { color: #FF3A3A } /* Generic.Traceback */ +body:not([data-theme="light"]) .highlight .kc { color: #6EBF26; font-weight: bold } /* Keyword.Constant */ +body:not([data-theme="light"]) .highlight .kd { color: #6EBF26; font-weight: bold } /* Keyword.Declaration */ +body:not([data-theme="light"]) .highlight .kn { color: #6EBF26; font-weight: bold } /* Keyword.Namespace */ +body:not([data-theme="light"]) .highlight .kp { color: #6EBF26 } /* Keyword.Pseudo */ +body:not([data-theme="light"]) .highlight .kr { color: #6EBF26; font-weight: bold } /* Keyword.Reserved */ +body:not([data-theme="light"]) .highlight .kt { color: #6EBF26; font-weight: bold } /* Keyword.Type */ +body:not([data-theme="light"]) .highlight .ld { color: #D0D0D0 } /* Literal.Date */ +body:not([data-theme="light"]) .highlight .m { color: #51B2FD } /* Literal.Number */ +body:not([data-theme="light"]) .highlight .s { color: #ED9D13 } /* Literal.String */ +body:not([data-theme="light"]) .highlight .na { color: #BBB } /* Name.Attribute */ +body:not([data-theme="light"]) .highlight .nb { color: #2FBCCD } /* Name.Builtin */ +body:not([data-theme="light"]) .highlight .nc { color: #71ADFF; text-decoration: underline } /* Name.Class */ +body:not([data-theme="light"]) .highlight .no { color: #40FFFF } /* Name.Constant */ +body:not([data-theme="light"]) .highlight .nd { color: #FFA500 } /* Name.Decorator */ +body:not([data-theme="light"]) .highlight .ni { color: #D0D0D0 } /* Name.Entity */ +body:not([data-theme="light"]) .highlight .ne { color: #BBB } /* Name.Exception */ +body:not([data-theme="light"]) .highlight .nf { color: #71ADFF } /* Name.Function */ +body:not([data-theme="light"]) .highlight .nl { color: #D0D0D0 } /* Name.Label */ +body:not([data-theme="light"]) .highlight .nn { color: #71ADFF; text-decoration: underline } /* Name.Namespace */ +body:not([data-theme="light"]) .highlight .nx { color: #D0D0D0 } /* Name.Other */ +body:not([data-theme="light"]) .highlight .py { color: #D0D0D0 } /* Name.Property */ +body:not([data-theme="light"]) .highlight .nt { color: #6EBF26; font-weight: bold } /* Name.Tag */ +body:not([data-theme="light"]) .highlight .nv { color: #40FFFF } /* Name.Variable */ +body:not([data-theme="light"]) .highlight .ow { color: #6EBF26; font-weight: bold } /* Operator.Word */ +body:not([data-theme="light"]) .highlight .pm { color: #D0D0D0 } /* Punctuation.Marker */ +body:not([data-theme="light"]) .highlight .w { color: #666 } /* Text.Whitespace */ +body:not([data-theme="light"]) .highlight .mb { color: #51B2FD } /* Literal.Number.Bin */ +body:not([data-theme="light"]) .highlight .mf { color: #51B2FD } /* Literal.Number.Float */ +body:not([data-theme="light"]) .highlight .mh { color: #51B2FD } /* Literal.Number.Hex */ +body:not([data-theme="light"]) .highlight .mi { color: #51B2FD } /* Literal.Number.Integer */ +body:not([data-theme="light"]) .highlight .mo { color: #51B2FD } /* Literal.Number.Oct */ +body:not([data-theme="light"]) .highlight .sa { color: #ED9D13 } /* Literal.String.Affix */ +body:not([data-theme="light"]) .highlight .sb { color: #ED9D13 } /* Literal.String.Backtick */ +body:not([data-theme="light"]) .highlight .sc { color: #ED9D13 } /* Literal.String.Char */ +body:not([data-theme="light"]) .highlight .dl { color: #ED9D13 } /* Literal.String.Delimiter */ +body:not([data-theme="light"]) .highlight .sd { color: #ED9D13 } /* Literal.String.Doc */ +body:not([data-theme="light"]) .highlight .s2 { color: #ED9D13 } /* Literal.String.Double */ +body:not([data-theme="light"]) .highlight .se { color: #ED9D13 } /* Literal.String.Escape */ +body:not([data-theme="light"]) .highlight .sh { color: #ED9D13 } /* Literal.String.Heredoc */ +body:not([data-theme="light"]) .highlight .si { color: #ED9D13 } /* Literal.String.Interpol */ +body:not([data-theme="light"]) .highlight .sx { color: #FFA500 } /* Literal.String.Other */ +body:not([data-theme="light"]) .highlight .sr { color: #ED9D13 } /* Literal.String.Regex */ +body:not([data-theme="light"]) .highlight .s1 { color: #ED9D13 } /* Literal.String.Single */ +body:not([data-theme="light"]) .highlight .ss { color: #ED9D13 } /* Literal.String.Symbol */ +body:not([data-theme="light"]) .highlight .bp { color: #2FBCCD } /* Name.Builtin.Pseudo */ +body:not([data-theme="light"]) .highlight .fm { color: #71ADFF } /* Name.Function.Magic */ +body:not([data-theme="light"]) .highlight .vc { color: #40FFFF } /* Name.Variable.Class */ +body:not([data-theme="light"]) .highlight .vg { color: #40FFFF } /* Name.Variable.Global */ +body:not([data-theme="light"]) .highlight .vi { color: #40FFFF } /* Name.Variable.Instance */ +body:not([data-theme="light"]) .highlight .vm { color: #40FFFF } /* Name.Variable.Magic */ +body:not([data-theme="light"]) .highlight .il { color: #51B2FD } /* Literal.Number.Integer.Long */ +} +} \ No newline at end of file diff --git a/_static/scripts/furo-extensions.js b/_static/scripts/furo-extensions.js new file mode 100644 index 000000000..e69de29bb diff --git a/_static/scripts/furo.js b/_static/scripts/furo.js new file mode 100644 index 000000000..87e1767fc --- /dev/null +++ b/_static/scripts/furo.js @@ -0,0 +1,3 @@ +/*! For license information please see furo.js.LICENSE.txt */ +(()=>{var t={856:function(t,e,n){var o,r;r=void 0!==n.g?n.g:"undefined"!=typeof window?window:this,o=function(){return function(t){"use strict";var e={navClass:"active",contentClass:"active",nested:!1,nestedClass:"active",offset:0,reflow:!1,events:!0},n=function(t,e,n){if(n.settings.events){var o=new CustomEvent(t,{bubbles:!0,cancelable:!0,detail:n});e.dispatchEvent(o)}},o=function(t){var e=0;if(t.offsetParent)for(;t;)e+=t.offsetTop,t=t.offsetParent;return e>=0?e:0},r=function(t){t&&t.sort(function(t,e){return o(t.content)=Math.max(document.body.scrollHeight,document.documentElement.scrollHeight,document.body.offsetHeight,document.documentElement.offsetHeight,document.body.clientHeight,document.documentElement.clientHeight)},l=function(t,e){var n=t[t.length-1];if(function(t,e){return!(!s()||!c(t.content,e,!0))}(n,e))return n;for(var o=t.length-1;o>=0;o--)if(c(t[o].content,e))return t[o]},a=function(t,e){if(e.nested&&t.parentNode){var n=t.parentNode.closest("li");n&&(n.classList.remove(e.nestedClass),a(n,e))}},i=function(t,e){if(t){var o=t.nav.closest("li");o&&(o.classList.remove(e.navClass),t.content.classList.remove(e.contentClass),a(o,e),n("gumshoeDeactivate",o,{link:t.nav,content:t.content,settings:e}))}},u=function(t,e){if(e.nested){var n=t.parentNode.closest("li");n&&(n.classList.add(e.nestedClass),u(n,e))}};return function(o,c){var s,a,d,f,m,v={setup:function(){s=document.querySelectorAll(o),a=[],Array.prototype.forEach.call(s,function(t){var e=document.getElementById(decodeURIComponent(t.hash.substr(1)));e&&a.push({nav:t,content:e})}),r(a)},detect:function(){var t=l(a,m);t?d&&t.content===d.content||(i(d,m),function(t,e){if(t){var o=t.nav.closest("li");o&&(o.classList.add(e.navClass),t.content.classList.add(e.contentClass),u(o,e),n("gumshoeActivate",o,{link:t.nav,content:t.content,settings:e}))}}(t,m),d=t):d&&(i(d,m),d=null)}},h=function(e){f&&t.cancelAnimationFrame(f),f=t.requestAnimationFrame(v.detect)},g=function(e){f&&t.cancelAnimationFrame(f),f=t.requestAnimationFrame(function(){r(a),v.detect()})};return v.destroy=function(){d&&i(d,m),t.removeEventListener("scroll",h,!1),m.reflow&&t.removeEventListener("resize",g,!1),a=null,s=null,d=null,f=null,m=null},m=function(){var t={};return Array.prototype.forEach.call(arguments,function(e){for(var n in e){if(!e.hasOwnProperty(n))return;t[n]=e[n]}}),t}(e,c||{}),v.setup(),v.detect(),t.addEventListener("scroll",h,!1),m.reflow&&t.addEventListener("resize",g,!1),v}}(r)}.apply(e,[]),void 0===o||(t.exports=o)}},e={};function n(o){var r=e[o];if(void 0!==r)return r.exports;var c=e[o]={exports:{}};return t[o].call(c.exports,c,c.exports,n),c.exports}n.n=t=>{var e=t&&t.__esModule?()=>t.default:()=>t;return n.d(e,{a:e}),e},n.d=(t,e)=>{for(var o in e)n.o(e,o)&&!n.o(t,o)&&Object.defineProperty(t,o,{enumerable:!0,get:e[o]})},n.g=function(){if("object"==typeof globalThis)return globalThis;try{return this||new Function("return this")()}catch(t){if("object"==typeof window)return window}}(),n.o=(t,e)=>Object.prototype.hasOwnProperty.call(t,e),(()=>{"use strict";var t=n(856),e=n.n(t),o=null,r=null,c=document.documentElement.scrollTop;function s(){const t=localStorage.getItem("theme")||"auto";var e;"light"!==(e=window.matchMedia("(prefers-color-scheme: dark)").matches?"auto"===t?"light":"light"==t?"dark":"auto":"auto"===t?"dark":"dark"==t?"light":"auto")&&"dark"!==e&&"auto"!==e&&(console.error(`Got invalid theme mode: ${e}. Resetting to auto.`),e="auto"),document.body.dataset.theme=e,localStorage.setItem("theme",e),console.log(`Changed to ${e} mode.`)}function l(){!function(){const t=document.getElementsByClassName("theme-toggle");Array.from(t).forEach(t=>{t.addEventListener("click",s)})}(),function(){let t=0,e=!1;window.addEventListener("scroll",function(n){t=window.scrollY,e||(window.requestAnimationFrame(function(){var n;(function(t){t>0?r.classList.add("scrolled"):r.classList.remove("scrolled")})(n=t),function(t){t<64?document.documentElement.classList.remove("show-back-to-top"):tc&&document.documentElement.classList.remove("show-back-to-top"),c=t}(n),function(t){null!==o&&(0==t?o.scrollTo(0,0):Math.ceil(t)>=Math.floor(document.documentElement.scrollHeight-window.innerHeight)?o.scrollTo(0,o.scrollHeight):document.querySelector(".scroll-current"))}(n),e=!1}),e=!0)}),window.scroll()}(),null!==o&&new(e())(".toc-tree a",{reflow:!0,recursive:!0,navClass:"scroll-current",offset:()=>{let t=parseFloat(getComputedStyle(document.documentElement).fontSize);const e=r.getBoundingClientRect();return e.top+e.height+2.5*t+1}})}document.addEventListener("DOMContentLoaded",function(){document.body.parentNode.classList.remove("no-js"),r=document.querySelector("header"),o=document.querySelector(".toc-scroll"),l()})})()})(); +//# sourceMappingURL=furo.js.map \ No newline at end of file diff --git a/_static/scripts/furo.js.LICENSE.txt b/_static/scripts/furo.js.LICENSE.txt new file mode 100644 index 000000000..1632189c7 --- /dev/null +++ b/_static/scripts/furo.js.LICENSE.txt @@ -0,0 +1,7 @@ +/*! + * gumshoejs v5.1.2 (patched by @pradyunsg) + * A simple, framework-agnostic scrollspy script. + * (c) 2019 Chris Ferdinandi + * MIT License + * http://github.com/cferdinandi/gumshoe + */ diff --git a/_static/scripts/furo.js.map b/_static/scripts/furo.js.map new file mode 100644 index 000000000..3b316f3a3 --- /dev/null +++ b/_static/scripts/furo.js.map @@ -0,0 +1 @@ +{"version":3,"file":"scripts/furo.js","mappings":";iCAAA,MAQWA,SAWS,IAAX,EAAAC,EACH,EAAAA,EACkB,oBAAXC,OACLA,OACAC,KAbO,EAAF,WACP,OAaJ,SAAUD,GACR,aAMA,IAAIE,EAAW,CAEbC,SAAU,SACVC,aAAc,SAGdC,QAAQ,EACRC,YAAa,SAGbC,OAAQ,EACRC,QAAQ,EAGRC,QAAQ,GA6BNC,EAAY,SAAUC,EAAMC,EAAMC,GAEpC,GAAKA,EAAOC,SAASL,OAArB,CAGA,IAAIM,EAAQ,IAAIC,YAAYL,EAAM,CAChCM,SAAS,EACTC,YAAY,EACZL,OAAQA,IAIVD,EAAKO,cAAcJ,EAVgB,CAWrC,EAOIK,EAAe,SAAUR,GAC3B,IAAIS,EAAW,EACf,GAAIT,EAAKU,aACP,KAAOV,GACLS,GAAYT,EAAKW,UACjBX,EAAOA,EAAKU,aAGhB,OAAOD,GAAY,EAAIA,EAAW,CACpC,EAMIG,EAAe,SAAUC,GACvBA,GACFA,EAASC,KAAK,SAAUC,EAAOC,GAG7B,OAFcR,EAAaO,EAAME,SACnBT,EAAaQ,EAAMC,UACF,EACxB,CACT,EAEJ,EAwCIC,EAAW,SAAUlB,EAAME,EAAUiB,GACvC,IAAIC,EAASpB,EAAKqB,wBACd1B,EAnCU,SAAUO,GAExB,MAA+B,mBAApBA,EAASP,OACX2B,WAAWpB,EAASP,UAItB2B,WAAWpB,EAASP,OAC7B,CA2Be4B,CAAUrB,GACvB,OAAIiB,EAEAK,SAASJ,EAAOD,OAAQ,KACvB/B,EAAOqC,aAAeC,SAASC,gBAAgBC,cAG7CJ,SAASJ,EAAOS,IAAK,KAAOlC,CACrC,EAMImC,EAAa,WACf,OACEC,KAAKC,KAAK5C,EAAOqC,YAAcrC,EAAO6C,cAnCjCF,KAAKG,IACVR,SAASS,KAAKC,aACdV,SAASC,gBAAgBS,aACzBV,SAASS,KAAKE,aACdX,SAASC,gBAAgBU,aACzBX,SAASS,KAAKP,aACdF,SAASC,gBAAgBC,aAkC7B,EAmBIU,EAAY,SAAUzB,EAAUX,GAClC,IAAIqC,EAAO1B,EAASA,EAAS2B,OAAS,GACtC,GAbgB,SAAUC,EAAMvC,GAChC,SAAI4B,MAAgBZ,EAASuB,EAAKxB,QAASf,GAAU,GAEvD,CAUMwC,CAAYH,EAAMrC,GAAW,OAAOqC,EACxC,IAAK,IAAII,EAAI9B,EAAS2B,OAAS,EAAGG,GAAK,EAAGA,IACxC,GAAIzB,EAASL,EAAS8B,GAAG1B,QAASf,GAAW,OAAOW,EAAS8B,EAEjE,EAOIC,EAAmB,SAAUC,EAAK3C,GAEpC,GAAKA,EAAST,QAAWoD,EAAIC,WAA7B,CAGA,IAAIC,EAAKF,EAAIC,WAAWE,QAAQ,MAC3BD,IAGLA,EAAGE,UAAUC,OAAOhD,EAASR,aAG7BkD,EAAiBG,EAAI7C,GAV0B,CAWjD,EAOIiD,EAAa,SAAUC,EAAOlD,GAEhC,GAAKkD,EAAL,CAGA,IAAIL,EAAKK,EAAMP,IAAIG,QAAQ,MACtBD,IAGLA,EAAGE,UAAUC,OAAOhD,EAASX,UAC7B6D,EAAMnC,QAAQgC,UAAUC,OAAOhD,EAASV,cAGxCoD,EAAiBG,EAAI7C,GAGrBJ,EAAU,oBAAqBiD,EAAI,CACjCM,KAAMD,EAAMP,IACZ5B,QAASmC,EAAMnC,QACff,SAAUA,IAjBM,CAmBpB,EAOIoD,EAAiB,SAAUT,EAAK3C,GAElC,GAAKA,EAAST,OAAd,CAGA,IAAIsD,EAAKF,EAAIC,WAAWE,QAAQ,MAC3BD,IAGLA,EAAGE,UAAUM,IAAIrD,EAASR,aAG1B4D,EAAeP,EAAI7C,GAVS,CAW9B,EA6LA,OA1JkB,SAAUsD,EAAUC,GAKpC,IACIC,EAAU7C,EAAU8C,EAASC,EAAS1D,EADtC2D,EAAa,CAUjBA,MAAmB,WAEjBH,EAAWhC,SAASoC,iBAAiBN,GAGrC3C,EAAW,GAGXkD,MAAMC,UAAUC,QAAQC,KAAKR,EAAU,SAAUjB,GAE/C,IAAIxB,EAAUS,SAASyC,eACrBC,mBAAmB3B,EAAK4B,KAAKC,OAAO,KAEjCrD,GAGLJ,EAAS0D,KAAK,CACZ1B,IAAKJ,EACLxB,QAASA,GAEb,GAGAL,EAAaC,EACf,EAKAgD,OAAoB,WAElB,IAAIW,EAASlC,EAAUzB,EAAUX,GAG5BsE,EASDb,GAAWa,EAAOvD,UAAY0C,EAAQ1C,UAG1CkC,EAAWQ,EAASzD,GAzFT,SAAUkD,EAAOlD,GAE9B,GAAKkD,EAAL,CAGA,IAAIL,EAAKK,EAAMP,IAAIG,QAAQ,MACtBD,IAGLA,EAAGE,UAAUM,IAAIrD,EAASX,UAC1B6D,EAAMnC,QAAQgC,UAAUM,IAAIrD,EAASV,cAGrC8D,EAAeP,EAAI7C,GAGnBJ,EAAU,kBAAmBiD,EAAI,CAC/BM,KAAMD,EAAMP,IACZ5B,QAASmC,EAAMnC,QACff,SAAUA,IAjBM,CAmBpB,CAqEIuE,CAASD,EAAQtE,GAGjByD,EAAUa,GAfJb,IACFR,EAAWQ,EAASzD,GACpByD,EAAU,KAchB,GAMIe,EAAgB,SAAUvE,GAExByD,GACFxE,EAAOuF,qBAAqBf,GAI9BA,EAAUxE,EAAOwF,sBAAsBf,EAAWgB,OACpD,EAMIC,EAAgB,SAAU3E,GAExByD,GACFxE,EAAOuF,qBAAqBf,GAI9BA,EAAUxE,EAAOwF,sBAAsB,WACrChE,EAAaC,GACbgD,EAAWgB,QACb,EACF,EAkDA,OA7CAhB,EAAWkB,QAAU,WAEfpB,GACFR,EAAWQ,EAASzD,GAItBd,EAAO4F,oBAAoB,SAAUN,GAAe,GAChDxE,EAASN,QACXR,EAAO4F,oBAAoB,SAAUF,GAAe,GAItDjE,EAAW,KACX6C,EAAW,KACXC,EAAU,KACVC,EAAU,KACV1D,EAAW,IACb,EAOEA,EA3XS,WACX,IAAI+E,EAAS,CAAC,EAOd,OANAlB,MAAMC,UAAUC,QAAQC,KAAKgB,UAAW,SAAUC,GAChD,IAAK,IAAIC,KAAOD,EAAK,CACnB,IAAKA,EAAIE,eAAeD,GAAM,OAC9BH,EAAOG,GAAOD,EAAIC,EACpB,CACF,GACOH,CACT,CAkXeK,CAAOhG,EAAUmE,GAAW,CAAC,GAGxCI,EAAW0B,QAGX1B,EAAWgB,SAGXzF,EAAOoG,iBAAiB,SAAUd,GAAe,GAC7CxE,EAASN,QACXR,EAAOoG,iBAAiB,SAAUV,GAAe,GAS9CjB,CACT,CAOF,CArcW4B,CAAQvG,EAChB,UAFM,SAEN,oB,GCXDwG,EAA2B,CAAC,EAGhC,SAASC,EAAoBC,GAE5B,IAAIC,EAAeH,EAAyBE,GAC5C,QAAqBE,IAAjBD,EACH,OAAOA,EAAaE,QAGrB,IAAIC,EAASN,EAAyBE,GAAY,CAGjDG,QAAS,CAAC,GAOX,OAHAE,EAAoBL,GAAU1B,KAAK8B,EAAOD,QAASC,EAAQA,EAAOD,QAASJ,GAGpEK,EAAOD,OACf,CCrBAJ,EAAoBO,EAAKF,IACxB,IAAIG,EAASH,GAAUA,EAAOI,WAC7B,IAAOJ,EAAiB,QACxB,IAAM,EAEP,OADAL,EAAoBU,EAAEF,EAAQ,CAAEG,EAAGH,IAC5BA,GCLRR,EAAoBU,EAAI,CAACN,EAASQ,KACjC,IAAI,IAAInB,KAAOmB,EACXZ,EAAoBa,EAAED,EAAYnB,KAASO,EAAoBa,EAAET,EAASX,IAC5EqB,OAAOC,eAAeX,EAASX,EAAK,CAAEuB,YAAY,EAAMC,IAAKL,EAAWnB,MCJ3EO,EAAoBxG,EAAI,WACvB,GAA0B,iBAAf0H,WAAyB,OAAOA,WAC3C,IACC,OAAOxH,MAAQ,IAAIyH,SAAS,cAAb,EAChB,CAAE,MAAOC,GACR,GAAsB,iBAAX3H,OAAqB,OAAOA,MACxC,CACA,CAPuB,GCAxBuG,EAAoBa,EAAI,CAACrB,EAAK6B,IAAUP,OAAOzC,UAAUqB,eAAenB,KAAKiB,EAAK6B,G,yCCK9EC,EAAY,KACZC,EAAS,KACTC,EAAgBzF,SAASC,gBAAgByF,UA4E7C,SAASC,IACP,MAAMC,EAAeC,aAAaC,QAAQ,UAAY,OAZxD,IAAkBC,EACH,WADGA,EAaIrI,OAAOsI,WAAW,gCAAgCC,QAI/C,SAAjBL,EACO,QACgB,SAAhBA,EACA,OAEA,OAIU,SAAjBA,EACO,OACgB,QAAhBA,EACA,QAEA,SA9BoB,SAATG,GAA4B,SAATA,IACzCG,QAAQC,MAAM,2BAA2BJ,yBACzCA,EAAO,QAGT/F,SAASS,KAAK2F,QAAQC,MAAQN,EAC9BF,aAAaS,QAAQ,QAASP,GAC9BG,QAAQK,IAAI,cAAcR,UA0B5B,CAmDA,SAASlC,KART,WAEE,MAAM2C,EAAUxG,SAASyG,uBAAuB,gBAChDpE,MAAMqE,KAAKF,GAASjE,QAASoE,IAC3BA,EAAI7C,iBAAiB,QAAS6B,IAElC,CAGEiB,GA/CF,WAEE,IAAIC,EAA6B,EAC7BC,GAAU,EAEdpJ,OAAOoG,iBAAiB,SAAU,SAAUuB,GAC1CwB,EAA6BnJ,OAAOqJ,QAE/BD,IACHpJ,OAAOwF,sBAAsB,WAzDnC,IAAuB8D,GArDvB,SAAgCA,GAC1BA,EAAY,EACdxB,EAAOjE,UAAUM,IAAI,YAErB2D,EAAOjE,UAAUC,OAAO,WAE5B,EAgDEyF,CADqBD,EA0DDH,GAvGtB,SAAmCG,GAC7BA,EAXmB,GAYrBhH,SAASC,gBAAgBsB,UAAUC,OAAO,oBAEtCwF,EAAYvB,EACdzF,SAASC,gBAAgBsB,UAAUM,IAAI,oBAC9BmF,EAAYvB,GACrBzF,SAASC,gBAAgBsB,UAAUC,OAAO,oBAG9CiE,EAAgBuB,CAClB,CAoCEE,CAA0BF,GAlC5B,SAA6BA,GACT,OAAdzB,IAKa,GAAbyB,EACFzB,EAAU4B,SAAS,EAAG,GAGtB9G,KAAKC,KAAK0G,IACV3G,KAAK+G,MAAMpH,SAASC,gBAAgBS,aAAehD,OAAOqC,aAE1DwF,EAAU4B,SAAS,EAAG5B,EAAU7E,cAGhBV,SAASqH,cAAc,mBAc3C,CAKEC,CAAoBN,GAwDdF,GAAU,CACZ,GAEAA,GAAU,EAEd,GACApJ,OAAO6J,QACT,CA8BEC,GA3BkB,OAAdjC,GAKJ,IAAI,IAAJ,CAAY,cAAe,CACzBrH,QAAQ,EACRuJ,WAAW,EACX5J,SAAU,iBACVI,OAAQ,KACN,IAAIyJ,EAAM9H,WAAW+H,iBAAiB3H,SAASC,iBAAiB2H,UAChE,MAAMC,EAAarC,EAAO7F,wBAC1B,OAAOkI,EAAW1H,IAAM0H,EAAWC,OAAS,IAAMJ,EAAM,IAiB9D,CAcA1H,SAAS8D,iBAAiB,mBAT1B,WACE9D,SAASS,KAAKW,WAAWG,UAAUC,OAAO,SAE1CgE,EAASxF,SAASqH,cAAc,UAChC9B,EAAYvF,SAASqH,cAAc,eAEnCxD,GACF,E","sources":["webpack:///./src/furo/assets/scripts/gumshoe-patched.js","webpack:///webpack/bootstrap","webpack:///webpack/runtime/compat get default export","webpack:///webpack/runtime/define property getters","webpack:///webpack/runtime/global","webpack:///webpack/runtime/hasOwnProperty shorthand","webpack:///./src/furo/assets/scripts/furo.js"],"sourcesContent":["/*!\n * gumshoejs v5.1.2 (patched by @pradyunsg)\n * A simple, framework-agnostic scrollspy script.\n * (c) 2019 Chris Ferdinandi\n * MIT License\n * http://github.com/cferdinandi/gumshoe\n */\n\n(function (root, factory) {\n if (typeof define === \"function\" && define.amd) {\n define([], function () {\n return factory(root);\n });\n } else if (typeof exports === \"object\") {\n module.exports = factory(root);\n } else {\n root.Gumshoe = factory(root);\n }\n})(\n typeof global !== \"undefined\"\n ? global\n : typeof window !== \"undefined\"\n ? window\n : this,\n function (window) {\n \"use strict\";\n\n //\n // Defaults\n //\n\n var defaults = {\n // Active classes\n navClass: \"active\",\n contentClass: \"active\",\n\n // Nested navigation\n nested: false,\n nestedClass: \"active\",\n\n // Offset & reflow\n offset: 0,\n reflow: false,\n\n // Event support\n events: true,\n };\n\n //\n // Methods\n //\n\n /**\n * Merge two or more objects together.\n * @param {Object} objects The objects to merge together\n * @returns {Object} Merged values of defaults and options\n */\n var extend = function () {\n var merged = {};\n Array.prototype.forEach.call(arguments, function (obj) {\n for (var key in obj) {\n if (!obj.hasOwnProperty(key)) return;\n merged[key] = obj[key];\n }\n });\n return merged;\n };\n\n /**\n * Emit a custom event\n * @param {String} type The event type\n * @param {Node} elem The element to attach the event to\n * @param {Object} detail Any details to pass along with the event\n */\n var emitEvent = function (type, elem, detail) {\n // Make sure events are enabled\n if (!detail.settings.events) return;\n\n // Create a new event\n var event = new CustomEvent(type, {\n bubbles: true,\n cancelable: true,\n detail: detail,\n });\n\n // Dispatch the event\n elem.dispatchEvent(event);\n };\n\n /**\n * Get an element's distance from the top of the Document.\n * @param {Node} elem The element\n * @return {Number} Distance from the top in pixels\n */\n var getOffsetTop = function (elem) {\n var location = 0;\n if (elem.offsetParent) {\n while (elem) {\n location += elem.offsetTop;\n elem = elem.offsetParent;\n }\n }\n return location >= 0 ? location : 0;\n };\n\n /**\n * Sort content from first to last in the DOM\n * @param {Array} contents The content areas\n */\n var sortContents = function (contents) {\n if (contents) {\n contents.sort(function (item1, item2) {\n var offset1 = getOffsetTop(item1.content);\n var offset2 = getOffsetTop(item2.content);\n if (offset1 < offset2) return -1;\n return 1;\n });\n }\n };\n\n /**\n * Get the offset to use for calculating position\n * @param {Object} settings The settings for this instantiation\n * @return {Float} The number of pixels to offset the calculations\n */\n var getOffset = function (settings) {\n // if the offset is a function run it\n if (typeof settings.offset === \"function\") {\n return parseFloat(settings.offset());\n }\n\n // Otherwise, return it as-is\n return parseFloat(settings.offset);\n };\n\n /**\n * Get the document element's height\n * @private\n * @returns {Number}\n */\n var getDocumentHeight = function () {\n return Math.max(\n document.body.scrollHeight,\n document.documentElement.scrollHeight,\n document.body.offsetHeight,\n document.documentElement.offsetHeight,\n document.body.clientHeight,\n document.documentElement.clientHeight,\n );\n };\n\n /**\n * Determine if an element is in view\n * @param {Node} elem The element\n * @param {Object} settings The settings for this instantiation\n * @param {Boolean} bottom If true, check if element is above bottom of viewport instead\n * @return {Boolean} Returns true if element is in the viewport\n */\n var isInView = function (elem, settings, bottom) {\n var bounds = elem.getBoundingClientRect();\n var offset = getOffset(settings);\n if (bottom) {\n return (\n parseInt(bounds.bottom, 10) <\n (window.innerHeight || document.documentElement.clientHeight)\n );\n }\n return parseInt(bounds.top, 10) <= offset;\n };\n\n /**\n * Check if at the bottom of the viewport\n * @return {Boolean} If true, page is at the bottom of the viewport\n */\n var isAtBottom = function () {\n if (\n Math.ceil(window.innerHeight + window.pageYOffset) >=\n getDocumentHeight()\n )\n return true;\n return false;\n };\n\n /**\n * Check if the last item should be used (even if not at the top of the page)\n * @param {Object} item The last item\n * @param {Object} settings The settings for this instantiation\n * @return {Boolean} If true, use the last item\n */\n var useLastItem = function (item, settings) {\n if (isAtBottom() && isInView(item.content, settings, true)) return true;\n return false;\n };\n\n /**\n * Get the active content\n * @param {Array} contents The content areas\n * @param {Object} settings The settings for this instantiation\n * @return {Object} The content area and matching navigation link\n */\n var getActive = function (contents, settings) {\n var last = contents[contents.length - 1];\n if (useLastItem(last, settings)) return last;\n for (var i = contents.length - 1; i >= 0; i--) {\n if (isInView(contents[i].content, settings)) return contents[i];\n }\n };\n\n /**\n * Deactivate parent navs in a nested navigation\n * @param {Node} nav The starting navigation element\n * @param {Object} settings The settings for this instantiation\n */\n var deactivateNested = function (nav, settings) {\n // If nesting isn't activated, bail\n if (!settings.nested || !nav.parentNode) return;\n\n // Get the parent navigation\n var li = nav.parentNode.closest(\"li\");\n if (!li) return;\n\n // Remove the active class\n li.classList.remove(settings.nestedClass);\n\n // Apply recursively to any parent navigation elements\n deactivateNested(li, settings);\n };\n\n /**\n * Deactivate a nav and content area\n * @param {Object} items The nav item and content to deactivate\n * @param {Object} settings The settings for this instantiation\n */\n var deactivate = function (items, settings) {\n // Make sure there are items to deactivate\n if (!items) return;\n\n // Get the parent list item\n var li = items.nav.closest(\"li\");\n if (!li) return;\n\n // Remove the active class from the nav and content\n li.classList.remove(settings.navClass);\n items.content.classList.remove(settings.contentClass);\n\n // Deactivate any parent navs in a nested navigation\n deactivateNested(li, settings);\n\n // Emit a custom event\n emitEvent(\"gumshoeDeactivate\", li, {\n link: items.nav,\n content: items.content,\n settings: settings,\n });\n };\n\n /**\n * Activate parent navs in a nested navigation\n * @param {Node} nav The starting navigation element\n * @param {Object} settings The settings for this instantiation\n */\n var activateNested = function (nav, settings) {\n // If nesting isn't activated, bail\n if (!settings.nested) return;\n\n // Get the parent navigation\n var li = nav.parentNode.closest(\"li\");\n if (!li) return;\n\n // Add the active class\n li.classList.add(settings.nestedClass);\n\n // Apply recursively to any parent navigation elements\n activateNested(li, settings);\n };\n\n /**\n * Activate a nav and content area\n * @param {Object} items The nav item and content to activate\n * @param {Object} settings The settings for this instantiation\n */\n var activate = function (items, settings) {\n // Make sure there are items to activate\n if (!items) return;\n\n // Get the parent list item\n var li = items.nav.closest(\"li\");\n if (!li) return;\n\n // Add the active class to the nav and content\n li.classList.add(settings.navClass);\n items.content.classList.add(settings.contentClass);\n\n // Activate any parent navs in a nested navigation\n activateNested(li, settings);\n\n // Emit a custom event\n emitEvent(\"gumshoeActivate\", li, {\n link: items.nav,\n content: items.content,\n settings: settings,\n });\n };\n\n /**\n * Create the Constructor object\n * @param {String} selector The selector to use for navigation items\n * @param {Object} options User options and settings\n */\n var Constructor = function (selector, options) {\n //\n // Variables\n //\n\n var publicAPIs = {};\n var navItems, contents, current, timeout, settings;\n\n //\n // Methods\n //\n\n /**\n * Set variables from DOM elements\n */\n publicAPIs.setup = function () {\n // Get all nav items\n navItems = document.querySelectorAll(selector);\n\n // Create contents array\n contents = [];\n\n // Loop through each item, get it's matching content, and push to the array\n Array.prototype.forEach.call(navItems, function (item) {\n // Get the content for the nav item\n var content = document.getElementById(\n decodeURIComponent(item.hash.substr(1)),\n );\n if (!content) return;\n\n // Push to the contents array\n contents.push({\n nav: item,\n content: content,\n });\n });\n\n // Sort contents by the order they appear in the DOM\n sortContents(contents);\n };\n\n /**\n * Detect which content is currently active\n */\n publicAPIs.detect = function () {\n // Get the active content\n var active = getActive(contents, settings);\n\n // if there's no active content, deactivate and bail\n if (!active) {\n if (current) {\n deactivate(current, settings);\n current = null;\n }\n return;\n }\n\n // If the active content is the one currently active, do nothing\n if (current && active.content === current.content) return;\n\n // Deactivate the current content and activate the new content\n deactivate(current, settings);\n activate(active, settings);\n\n // Update the currently active content\n current = active;\n };\n\n /**\n * Detect the active content on scroll\n * Debounced for performance\n */\n var scrollHandler = function (event) {\n // If there's a timer, cancel it\n if (timeout) {\n window.cancelAnimationFrame(timeout);\n }\n\n // Setup debounce callback\n timeout = window.requestAnimationFrame(publicAPIs.detect);\n };\n\n /**\n * Update content sorting on resize\n * Debounced for performance\n */\n var resizeHandler = function (event) {\n // If there's a timer, cancel it\n if (timeout) {\n window.cancelAnimationFrame(timeout);\n }\n\n // Setup debounce callback\n timeout = window.requestAnimationFrame(function () {\n sortContents(contents);\n publicAPIs.detect();\n });\n };\n\n /**\n * Destroy the current instantiation\n */\n publicAPIs.destroy = function () {\n // Undo DOM changes\n if (current) {\n deactivate(current, settings);\n }\n\n // Remove event listeners\n window.removeEventListener(\"scroll\", scrollHandler, false);\n if (settings.reflow) {\n window.removeEventListener(\"resize\", resizeHandler, false);\n }\n\n // Reset variables\n contents = null;\n navItems = null;\n current = null;\n timeout = null;\n settings = null;\n };\n\n /**\n * Initialize the current instantiation\n */\n var init = function () {\n // Merge user options into defaults\n settings = extend(defaults, options || {});\n\n // Setup variables based on the current DOM\n publicAPIs.setup();\n\n // Find the currently active content\n publicAPIs.detect();\n\n // Setup event listeners\n window.addEventListener(\"scroll\", scrollHandler, false);\n if (settings.reflow) {\n window.addEventListener(\"resize\", resizeHandler, false);\n }\n };\n\n //\n // Initialize and return the public APIs\n //\n\n init();\n return publicAPIs;\n };\n\n //\n // Return the Constructor\n //\n\n return Constructor;\n },\n);\n","// The module cache\nvar __webpack_module_cache__ = {};\n\n// The require function\nfunction __webpack_require__(moduleId) {\n\t// Check if module is in cache\n\tvar cachedModule = __webpack_module_cache__[moduleId];\n\tif (cachedModule !== undefined) {\n\t\treturn cachedModule.exports;\n\t}\n\t// Create a new module (and put it into the cache)\n\tvar module = __webpack_module_cache__[moduleId] = {\n\t\t// no module.id needed\n\t\t// no module.loaded needed\n\t\texports: {}\n\t};\n\n\t// Execute the module function\n\t__webpack_modules__[moduleId].call(module.exports, module, module.exports, __webpack_require__);\n\n\t// Return the exports of the module\n\treturn module.exports;\n}\n\n","// getDefaultExport function for compatibility with non-harmony modules\n__webpack_require__.n = (module) => {\n\tvar getter = module && module.__esModule ?\n\t\t() => (module['default']) :\n\t\t() => (module);\n\t__webpack_require__.d(getter, { a: getter });\n\treturn getter;\n};","// define getter functions for harmony exports\n__webpack_require__.d = (exports, definition) => {\n\tfor(var key in definition) {\n\t\tif(__webpack_require__.o(definition, key) && !__webpack_require__.o(exports, key)) {\n\t\t\tObject.defineProperty(exports, key, { enumerable: true, get: definition[key] });\n\t\t}\n\t}\n};","__webpack_require__.g = (function() {\n\tif (typeof globalThis === 'object') return globalThis;\n\ttry {\n\t\treturn this || new Function('return this')();\n\t} catch (e) {\n\t\tif (typeof window === 'object') return window;\n\t}\n})();","__webpack_require__.o = (obj, prop) => (Object.prototype.hasOwnProperty.call(obj, prop))","import Gumshoe from \"./gumshoe-patched.js\";\n\n////////////////////////////////////////////////////////////////////////////////\n// Scroll Handling\n////////////////////////////////////////////////////////////////////////////////\nvar tocScroll = null;\nvar header = null;\nvar lastScrollTop = document.documentElement.scrollTop;\nconst GO_TO_TOP_OFFSET = 64;\n\nfunction scrollHandlerForHeader(positionY) {\n if (positionY > 0) {\n header.classList.add(\"scrolled\");\n } else {\n header.classList.remove(\"scrolled\");\n }\n}\n\nfunction scrollHandlerForBackToTop(positionY) {\n if (positionY < GO_TO_TOP_OFFSET) {\n document.documentElement.classList.remove(\"show-back-to-top\");\n } else {\n if (positionY < lastScrollTop) {\n document.documentElement.classList.add(\"show-back-to-top\");\n } else if (positionY > lastScrollTop) {\n document.documentElement.classList.remove(\"show-back-to-top\");\n }\n }\n lastScrollTop = positionY;\n}\n\nfunction scrollHandlerForTOC(positionY) {\n if (tocScroll === null) {\n return;\n }\n\n // top of page.\n if (positionY == 0) {\n tocScroll.scrollTo(0, 0);\n } else if (\n // bottom of page.\n Math.ceil(positionY) >=\n Math.floor(document.documentElement.scrollHeight - window.innerHeight)\n ) {\n tocScroll.scrollTo(0, tocScroll.scrollHeight);\n } else {\n // somewhere in the middle.\n const current = document.querySelector(\".scroll-current\");\n if (current == null) {\n return;\n }\n\n // https://github.com/pypa/pip/issues/9159 This breaks scroll behaviours.\n // // scroll the currently \"active\" heading in toc, into view.\n // const rect = current.getBoundingClientRect();\n // if (0 > rect.top) {\n // current.scrollIntoView(true); // the argument is \"alignTop\"\n // } else if (rect.bottom > window.innerHeight) {\n // current.scrollIntoView(false);\n // }\n }\n}\n\nfunction scrollHandler(positionY) {\n scrollHandlerForHeader(positionY);\n scrollHandlerForBackToTop(positionY);\n scrollHandlerForTOC(positionY);\n}\n\n////////////////////////////////////////////////////////////////////////////////\n// Theme Toggle\n////////////////////////////////////////////////////////////////////////////////\nfunction setTheme(mode) {\n if (mode !== \"light\" && mode !== \"dark\" && mode !== \"auto\") {\n console.error(`Got invalid theme mode: ${mode}. Resetting to auto.`);\n mode = \"auto\";\n }\n\n document.body.dataset.theme = mode;\n localStorage.setItem(\"theme\", mode);\n console.log(`Changed to ${mode} mode.`);\n}\n\nfunction cycleThemeOnce() {\n const currentTheme = localStorage.getItem(\"theme\") || \"auto\";\n const prefersDark = window.matchMedia(\"(prefers-color-scheme: dark)\").matches;\n\n if (prefersDark) {\n // Auto (dark) -> Light -> Dark\n if (currentTheme === \"auto\") {\n setTheme(\"light\");\n } else if (currentTheme == \"light\") {\n setTheme(\"dark\");\n } else {\n setTheme(\"auto\");\n }\n } else {\n // Auto (light) -> Dark -> Light\n if (currentTheme === \"auto\") {\n setTheme(\"dark\");\n } else if (currentTheme == \"dark\") {\n setTheme(\"light\");\n } else {\n setTheme(\"auto\");\n }\n }\n}\n\n////////////////////////////////////////////////////////////////////////////////\n// Setup\n////////////////////////////////////////////////////////////////////////////////\nfunction setupScrollHandler() {\n // Taken from https://developer.mozilla.org/en-US/docs/Web/API/Document/scroll_event\n let last_known_scroll_position = 0;\n let ticking = false;\n\n window.addEventListener(\"scroll\", function (e) {\n last_known_scroll_position = window.scrollY;\n\n if (!ticking) {\n window.requestAnimationFrame(function () {\n scrollHandler(last_known_scroll_position);\n ticking = false;\n });\n\n ticking = true;\n }\n });\n window.scroll();\n}\n\nfunction setupScrollSpy() {\n if (tocScroll === null) {\n return;\n }\n\n // Scrollspy -- highlight table on contents, based on scroll\n new Gumshoe(\".toc-tree a\", {\n reflow: true,\n recursive: true,\n navClass: \"scroll-current\",\n offset: () => {\n let rem = parseFloat(getComputedStyle(document.documentElement).fontSize);\n const headerRect = header.getBoundingClientRect();\n return headerRect.top + headerRect.height + 2.5 * rem + 1;\n },\n });\n}\n\nfunction setupTheme() {\n // Attach event handlers for toggling themes\n const buttons = document.getElementsByClassName(\"theme-toggle\");\n Array.from(buttons).forEach((btn) => {\n btn.addEventListener(\"click\", cycleThemeOnce);\n });\n}\n\nfunction setup() {\n setupTheme();\n setupScrollHandler();\n setupScrollSpy();\n}\n\n////////////////////////////////////////////////////////////////////////////////\n// Main entrypoint\n////////////////////////////////////////////////////////////////////////////////\nfunction main() {\n document.body.parentNode.classList.remove(\"no-js\");\n\n header = document.querySelector(\"header\");\n tocScroll = document.querySelector(\".toc-scroll\");\n\n setup();\n}\n\ndocument.addEventListener(\"DOMContentLoaded\", main);\n"],"names":["root","g","window","this","defaults","navClass","contentClass","nested","nestedClass","offset","reflow","events","emitEvent","type","elem","detail","settings","event","CustomEvent","bubbles","cancelable","dispatchEvent","getOffsetTop","location","offsetParent","offsetTop","sortContents","contents","sort","item1","item2","content","isInView","bottom","bounds","getBoundingClientRect","parseFloat","getOffset","parseInt","innerHeight","document","documentElement","clientHeight","top","isAtBottom","Math","ceil","pageYOffset","max","body","scrollHeight","offsetHeight","getActive","last","length","item","useLastItem","i","deactivateNested","nav","parentNode","li","closest","classList","remove","deactivate","items","link","activateNested","add","selector","options","navItems","current","timeout","publicAPIs","querySelectorAll","Array","prototype","forEach","call","getElementById","decodeURIComponent","hash","substr","push","active","activate","scrollHandler","cancelAnimationFrame","requestAnimationFrame","detect","resizeHandler","destroy","removeEventListener","merged","arguments","obj","key","hasOwnProperty","extend","setup","addEventListener","factory","__webpack_module_cache__","__webpack_require__","moduleId","cachedModule","undefined","exports","module","__webpack_modules__","n","getter","__esModule","d","a","definition","o","Object","defineProperty","enumerable","get","globalThis","Function","e","prop","tocScroll","header","lastScrollTop","scrollTop","cycleThemeOnce","currentTheme","localStorage","getItem","mode","matchMedia","matches","console","error","dataset","theme","setItem","log","buttons","getElementsByClassName","from","btn","setupTheme","last_known_scroll_position","ticking","scrollY","positionY","scrollHandlerForHeader","scrollHandlerForBackToTop","scrollTo","floor","querySelector","scrollHandlerForTOC","scroll","setupScrollHandler","recursive","rem","getComputedStyle","fontSize","headerRect","height"],"sourceRoot":""} \ No newline at end of file diff --git a/_static/searchtools.js b/_static/searchtools.js new file mode 100644 index 000000000..e29b1c754 --- /dev/null +++ b/_static/searchtools.js @@ -0,0 +1,693 @@ +/* + * Sphinx JavaScript utilities for the full-text search. + */ +"use strict"; + +/** + * Simple result scoring code. + */ +if (typeof Scorer === "undefined") { + var Scorer = { + // Implement the following function to further tweak the score for each result + // The function takes a result array [docname, title, anchor, descr, score, filename] + // and returns the new score. + /* + score: result => { + const [docname, title, anchor, descr, score, filename, kind] = result + return score + }, + */ + + // query matches the full name of an object + objNameMatch: 11, + // or matches in the last dotted part of the object name + objPartialMatch: 6, + // Additive scores depending on the priority of the object + objPrio: { + 0: 15, // used to be importantResults + 1: 5, // used to be objectResults + 2: -5, // used to be unimportantResults + }, + // Used when the priority is not in the mapping. + objPrioDefault: 0, + + // query found in title + title: 15, + partialTitle: 7, + // query found in terms + term: 5, + partialTerm: 2, + }; +} + +// Global search result kind enum, used by themes to style search results. +// prettier-ignore +class SearchResultKind { + static get index() { return "index"; } + static get object() { return "object"; } + static get text() { return "text"; } + static get title() { return "title"; } +} + +const _removeChildren = (element) => { + while (element && element.lastChild) element.removeChild(element.lastChild); +}; + +/** + * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Guide/Regular_Expressions#escaping + */ +const _escapeRegExp = (string) => + string.replace(/[.*+\-?^${}()|[\]\\]/g, "\\$&"); // $& means the whole matched string + +const _escapeHTML = (text) => { + return text + .replaceAll("&", "&") + .replaceAll("<", "<") + .replaceAll(">", ">") + .replaceAll('"', """) + .replaceAll("'", "'"); +}; + +const _displayItem = (item, searchTerms, highlightTerms) => { + const docBuilder = DOCUMENTATION_OPTIONS.BUILDER; + const docFileSuffix = DOCUMENTATION_OPTIONS.FILE_SUFFIX; + const docLinkSuffix = DOCUMENTATION_OPTIONS.LINK_SUFFIX; + const showSearchSummary = DOCUMENTATION_OPTIONS.SHOW_SEARCH_SUMMARY; + const contentRoot = document.documentElement.dataset.content_root; + + const [docName, title, anchor, descr, score, _filename, kind] = item; + + let listItem = document.createElement("li"); + // Add a class representing the item's type: + // can be used by a theme's CSS selector for styling + // See SearchResultKind for the class names. + listItem.classList.add(`kind-${kind}`); + let requestUrl; + let linkUrl; + if (docBuilder === "dirhtml") { + // dirhtml builder + let dirname = docName + "/"; + if (dirname.match(/\/index\/$/)) + dirname = dirname.substring(0, dirname.length - 6); + else if (dirname === "index/") dirname = ""; + requestUrl = contentRoot + dirname; + linkUrl = requestUrl; + } else { + // normal html builders + requestUrl = contentRoot + docName + docFileSuffix; + linkUrl = docName + docLinkSuffix; + } + let linkEl = listItem.appendChild(document.createElement("a")); + linkEl.href = linkUrl + anchor; + linkEl.dataset.score = score; + linkEl.innerHTML = _escapeHTML(title); + if (descr) { + listItem.appendChild(document.createElement("span")).innerHTML = + ` (${_escapeHTML(descr)})`; + // highlight search terms in the description + if (SPHINX_HIGHLIGHT_ENABLED) + // SPHINX_HIGHLIGHT_ENABLED is set in sphinx_highlight.js + highlightTerms.forEach((term) => + _highlightText(listItem, term, "highlighted"), + ); + } else if (showSearchSummary) + fetch(requestUrl) + .then((responseData) => responseData.text()) + .then((data) => { + if (data) + listItem.appendChild( + Search.makeSearchSummary(data, searchTerms, anchor), + ); + // highlight search terms in the summary + if (SPHINX_HIGHLIGHT_ENABLED) + // SPHINX_HIGHLIGHT_ENABLED is set in sphinx_highlight.js + highlightTerms.forEach((term) => + _highlightText(listItem, term, "highlighted"), + ); + }); + Search.output.appendChild(listItem); +}; +const _finishSearch = (resultCount) => { + Search.stopPulse(); + Search.title.innerText = _("Search Results"); + if (!resultCount) + Search.status.innerText = Documentation.gettext( + "Your search did not match any documents. Please make sure that all words are spelled correctly and that you've selected enough categories.", + ); + else + Search.status.innerText = Documentation.ngettext( + "Search finished, found one page matching the search query.", + "Search finished, found ${resultCount} pages matching the search query.", + resultCount, + ).replace("${resultCount}", resultCount); +}; +const _displayNextItem = ( + results, + resultCount, + searchTerms, + highlightTerms, +) => { + // results left, load the summary and display it + // this is intended to be dynamic (don't sub resultsCount) + if (results.length) { + _displayItem(results.pop(), searchTerms, highlightTerms); + setTimeout( + () => _displayNextItem(results, resultCount, searchTerms, highlightTerms), + 5, + ); + } + // search finished, update title and status message + else _finishSearch(resultCount); +}; +// Helper function used by query() to order search results. +// Each input is an array of [docname, title, anchor, descr, score, filename, kind]. +// Order the results by score (in opposite order of appearance, since the +// `_displayNextItem` function uses pop() to retrieve items) and then alphabetically. +const _orderResultsByScoreThenName = (a, b) => { + const leftScore = a[4]; + const rightScore = b[4]; + if (leftScore === rightScore) { + // same score: sort alphabetically + const leftTitle = a[1].toLowerCase(); + const rightTitle = b[1].toLowerCase(); + if (leftTitle === rightTitle) return 0; + return leftTitle > rightTitle ? -1 : 1; // inverted is intentional + } + return leftScore > rightScore ? 1 : -1; +}; + +/** + * Default splitQuery function. Can be overridden in ``sphinx.search`` with a + * custom function per language. + * + * The regular expression works by splitting the string on consecutive characters + * that are not Unicode letters, numbers, underscores, or emoji characters. + * This is the same as ``\W+`` in Python, preserving the surrogate pair area. + */ +if (typeof splitQuery === "undefined") { + var splitQuery = (query) => + query + .split(/[^\p{Letter}\p{Number}_\p{Emoji_Presentation}]+/gu) + .filter((term) => term); // remove remaining empty strings +} + +/** + * Search Module + */ +const Search = { + _index: null, + _queued_query: null, + _pulse_status: -1, + + htmlToText: (htmlString, anchor) => { + const htmlElement = new DOMParser().parseFromString( + htmlString, + "text/html", + ); + for (const removalQuery of [".headerlink", "script", "style"]) { + htmlElement.querySelectorAll(removalQuery).forEach((el) => { + el.remove(); + }); + } + if (anchor) { + const anchorContent = htmlElement.querySelector( + `[role="main"] ${anchor}`, + ); + if (anchorContent) return anchorContent.textContent; + + console.warn( + `Anchored content block not found. Sphinx search tries to obtain it via DOM query '[role=main] ${anchor}'. Check your theme or template.`, + ); + } + + // if anchor not specified or not found, fall back to main content + const docContent = htmlElement.querySelector('[role="main"]'); + if (docContent) return docContent.textContent; + + console.warn( + "Content block not found. Sphinx search tries to obtain it via DOM query '[role=main]'. Check your theme or template.", + ); + return ""; + }, + + init: () => { + const query = new URLSearchParams(window.location.search).get("q"); + document + .querySelectorAll('input[name="q"]') + .forEach((el) => (el.value = query)); + if (query) Search.performSearch(query); + }, + + loadIndex: (url) => + (document.body.appendChild(document.createElement("script")).src = url), + + setIndex: (index) => { + Search._index = index; + if (Search._queued_query !== null) { + const query = Search._queued_query; + Search._queued_query = null; + Search.query(query); + } + }, + + hasIndex: () => Search._index !== null, + + deferQuery: (query) => (Search._queued_query = query), + + stopPulse: () => (Search._pulse_status = -1), + + startPulse: () => { + if (Search._pulse_status >= 0) return; + + const pulse = () => { + Search._pulse_status = (Search._pulse_status + 1) % 4; + Search.dots.innerText = ".".repeat(Search._pulse_status); + if (Search._pulse_status >= 0) window.setTimeout(pulse, 500); + }; + pulse(); + }, + + /** + * perform a search for something (or wait until index is loaded) + */ + performSearch: (query) => { + // create the required interface elements + const searchText = document.createElement("h2"); + searchText.textContent = _("Searching"); + const searchSummary = document.createElement("p"); + searchSummary.classList.add("search-summary"); + searchSummary.innerText = ""; + const searchList = document.createElement("ul"); + searchList.setAttribute("role", "list"); + searchList.classList.add("search"); + + const out = document.getElementById("search-results"); + Search.title = out.appendChild(searchText); + Search.dots = Search.title.appendChild(document.createElement("span")); + Search.status = out.appendChild(searchSummary); + Search.output = out.appendChild(searchList); + + const searchProgress = document.getElementById("search-progress"); + // Some themes don't use the search progress node + if (searchProgress) { + searchProgress.innerText = _("Preparing search..."); + } + Search.startPulse(); + + // index already loaded, the browser was quick! + if (Search.hasIndex()) Search.query(query); + else Search.deferQuery(query); + }, + + _parseQuery: (query) => { + // stem the search terms and add them to the correct list + const stemmer = new Stemmer(); + const searchTerms = new Set(); + const excludedTerms = new Set(); + const highlightTerms = new Set(); + const objectTerms = new Set(splitQuery(query.toLowerCase().trim())); + splitQuery(query.trim()).forEach((queryTerm) => { + const queryTermLower = queryTerm.toLowerCase(); + + // maybe skip this "word" + // stopwords set is from language_data.js + if (stopwords.has(queryTermLower) || queryTerm.match(/^\d+$/)) return; + + // stem the word + let word = stemmer.stemWord(queryTermLower); + // select the correct list + if (word[0] === "-") excludedTerms.add(word.substr(1)); + else { + searchTerms.add(word); + highlightTerms.add(queryTermLower); + } + }); + + if (SPHINX_HIGHLIGHT_ENABLED) { + // SPHINX_HIGHLIGHT_ENABLED is set in sphinx_highlight.js + localStorage.setItem( + "sphinx_highlight_terms", + [...highlightTerms].join(" "), + ); + } + + // console.debug("SEARCH: searching for:"); + // console.info("required: ", [...searchTerms]); + // console.info("excluded: ", [...excludedTerms]); + + return [query, searchTerms, excludedTerms, highlightTerms, objectTerms]; + }, + + /** + * execute search (requires search index to be loaded) + */ + _performSearch: ( + query, + searchTerms, + excludedTerms, + highlightTerms, + objectTerms, + ) => { + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const titles = Search._index.titles; + const allTitles = Search._index.alltitles; + const indexEntries = Search._index.indexentries; + + // Collect multiple result groups to be sorted separately and then ordered. + // Each is an array of [docname, title, anchor, descr, score, filename, kind]. + const normalResults = []; + const nonMainIndexResults = []; + + _removeChildren(document.getElementById("search-progress")); + + const queryLower = query.toLowerCase().trim(); + for (const [title, foundTitles] of Object.entries(allTitles)) { + if ( + title.toLowerCase().trim().includes(queryLower) + && queryLower.length >= title.length / 2 + ) { + for (const [file, id] of foundTitles) { + const score = Math.round( + (Scorer.title * queryLower.length) / title.length, + ); + const boost = titles[file] === title ? 1 : 0; // add a boost for document titles + normalResults.push([ + docNames[file], + titles[file] !== title ? `${titles[file]} > ${title}` : title, + id !== null ? "#" + id : "", + null, + score + boost, + filenames[file], + SearchResultKind.title, + ]); + } + } + } + + // search for explicit entries in index directives + for (const [entry, foundEntries] of Object.entries(indexEntries)) { + if (entry.includes(queryLower) && queryLower.length >= entry.length / 2) { + for (const [file, id, isMain] of foundEntries) { + const score = Math.round((100 * queryLower.length) / entry.length); + const result = [ + docNames[file], + titles[file], + id ? "#" + id : "", + null, + score, + filenames[file], + SearchResultKind.index, + ]; + if (isMain) { + normalResults.push(result); + } else { + nonMainIndexResults.push(result); + } + } + } + } + + // lookup as object + objectTerms.forEach((term) => + normalResults.push(...Search.performObjectSearch(term, objectTerms)), + ); + + // lookup as search terms in fulltext + normalResults.push( + ...Search.performTermsSearch(searchTerms, excludedTerms), + ); + + // let the scorer override scores with a custom scoring function + if (Scorer.score) { + normalResults.forEach((item) => (item[4] = Scorer.score(item))); + nonMainIndexResults.forEach((item) => (item[4] = Scorer.score(item))); + } + + // Sort each group of results by score and then alphabetically by name. + normalResults.sort(_orderResultsByScoreThenName); + nonMainIndexResults.sort(_orderResultsByScoreThenName); + + // Combine the result groups in (reverse) order. + // Non-main index entries are typically arbitrary cross-references, + // so display them after other results. + let results = [...nonMainIndexResults, ...normalResults]; + + // remove duplicate search results + // note the reversing of results, so that in the case of duplicates, the highest-scoring entry is kept + let seen = new Set(); + results = results.reverse().reduce((acc, result) => { + let resultStr = result + .slice(0, 4) + .concat([result[5]]) + .map((v) => String(v)) + .join(","); + if (!seen.has(resultStr)) { + acc.push(result); + seen.add(resultStr); + } + return acc; + }, []); + + return results.reverse(); + }, + + query: (query) => { + const [ + searchQuery, + searchTerms, + excludedTerms, + highlightTerms, + objectTerms, + ] = Search._parseQuery(query); + const results = Search._performSearch( + searchQuery, + searchTerms, + excludedTerms, + highlightTerms, + objectTerms, + ); + + // for debugging + //Search.lastresults = results.slice(); // a copy + // console.info("search results:", Search.lastresults); + + // print the results + _displayNextItem(results, results.length, searchTerms, highlightTerms); + }, + + /** + * search for object names + */ + performObjectSearch: (object, objectTerms) => { + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const objects = Search._index.objects; + const objNames = Search._index.objnames; + const titles = Search._index.titles; + + const results = []; + + const objectSearchCallback = (prefix, match) => { + const name = match[4]; + const fullname = (prefix ? prefix + "." : "") + name; + const fullnameLower = fullname.toLowerCase(); + if (fullnameLower.indexOf(object) < 0) return; + + let score = 0; + const parts = fullnameLower.split("."); + + // check for different match types: exact matches of full name or + // "last name" (i.e. last dotted part) + if (fullnameLower === object || parts.slice(-1)[0] === object) + score += Scorer.objNameMatch; + else if (parts.slice(-1)[0].indexOf(object) > -1) + score += Scorer.objPartialMatch; // matches in last name + + const objName = objNames[match[1]][2]; + const title = titles[match[0]]; + + // If more than one term searched for, we require other words to be + // found in the name/title/description + const otherTerms = new Set(objectTerms); + otherTerms.delete(object); + if (otherTerms.size > 0) { + const haystack = `${prefix} ${name} ${objName} ${title}`.toLowerCase(); + if ( + [...otherTerms].some((otherTerm) => haystack.indexOf(otherTerm) < 0) + ) + return; + } + + let anchor = match[3]; + if (anchor === "") anchor = fullname; + else if (anchor === "-") anchor = objNames[match[1]][1] + "-" + fullname; + + const descr = objName + _(", in ") + title; + + // add custom score for some objects according to scorer + if (Scorer.objPrio.hasOwnProperty(match[2])) + score += Scorer.objPrio[match[2]]; + else score += Scorer.objPrioDefault; + + results.push([ + docNames[match[0]], + fullname, + "#" + anchor, + descr, + score, + filenames[match[0]], + SearchResultKind.object, + ]); + }; + Object.keys(objects).forEach((prefix) => + objects[prefix].forEach((array) => objectSearchCallback(prefix, array)), + ); + return results; + }, + + /** + * search for full-text terms in the index + */ + performTermsSearch: (searchTerms, excludedTerms) => { + // prepare search + const terms = Search._index.terms; + const titleTerms = Search._index.titleterms; + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const titles = Search._index.titles; + + const scoreMap = new Map(); + const fileMap = new Map(); + + // perform the search on the required terms + searchTerms.forEach((word) => { + const files = []; + // find documents, if any, containing the query word in their text/title term indices + // use Object.hasOwnProperty to avoid mismatching against prototype properties + const arr = [ + { + files: terms.hasOwnProperty(word) ? terms[word] : undefined, + score: Scorer.term, + }, + { + files: titleTerms.hasOwnProperty(word) ? titleTerms[word] : undefined, + score: Scorer.title, + }, + ]; + // add support for partial matches + if (word.length > 2) { + const escapedWord = _escapeRegExp(word); + if (!terms.hasOwnProperty(word)) { + Object.keys(terms).forEach((term) => { + if (term.match(escapedWord)) + arr.push({ files: terms[term], score: Scorer.partialTerm }); + }); + } + if (!titleTerms.hasOwnProperty(word)) { + Object.keys(titleTerms).forEach((term) => { + if (term.match(escapedWord)) + arr.push({ files: titleTerms[term], score: Scorer.partialTitle }); + }); + } + } + + // no match but word was a required one + if (arr.every((record) => record.files === undefined)) return; + + // found search word in contents + arr.forEach((record) => { + if (record.files === undefined) return; + + let recordFiles = record.files; + if (recordFiles.length === undefined) recordFiles = [recordFiles]; + files.push(...recordFiles); + + // set score for the word in each file + recordFiles.forEach((file) => { + if (!scoreMap.has(file)) scoreMap.set(file, new Map()); + const fileScores = scoreMap.get(file); + fileScores.set(word, record.score); + }); + }); + + // create the mapping + files.forEach((file) => { + if (!fileMap.has(file)) fileMap.set(file, [word]); + else if (fileMap.get(file).indexOf(word) === -1) + fileMap.get(file).push(word); + }); + }); + + // now check if the files don't contain excluded terms + const results = []; + for (const [file, wordList] of fileMap) { + // check if all requirements are matched + + // as search terms with length < 3 are discarded + const filteredTermCount = [...searchTerms].filter( + (term) => term.length > 2, + ).length; + if ( + wordList.length !== searchTerms.size + && wordList.length !== filteredTermCount + ) + continue; + + // ensure that none of the excluded terms is in the search result + if ( + [...excludedTerms].some( + (term) => + terms[term] === file + || titleTerms[term] === file + || (terms[term] || []).includes(file) + || (titleTerms[term] || []).includes(file), + ) + ) + break; + + // select one (max) score for the file. + const score = Math.max(...wordList.map((w) => scoreMap.get(file).get(w))); + // add result to the result list + results.push([ + docNames[file], + titles[file], + "", + null, + score, + filenames[file], + SearchResultKind.text, + ]); + } + return results; + }, + + /** + * helper function to return a node containing the + * search summary for a given text. keywords is a list + * of stemmed words. + */ + makeSearchSummary: (htmlText, keywords, anchor) => { + const text = Search.htmlToText(htmlText, anchor); + if (text === "") return null; + + const textLower = text.toLowerCase(); + const actualStartPosition = [...keywords] + .map((k) => textLower.indexOf(k.toLowerCase())) + .filter((i) => i > -1) + .slice(-1)[0]; + const startWithContext = Math.max(actualStartPosition - 120, 0); + + const top = startWithContext === 0 ? "" : "..."; + const tail = startWithContext + 240 < text.length ? "..." : ""; + + let summary = document.createElement("p"); + summary.classList.add("context"); + summary.textContent = + top + text.substr(startWithContext, 240).trim() + tail; + + return summary; + }, +}; + +_ready(Search.init); diff --git a/_static/skeleton.css b/_static/skeleton.css new file mode 100644 index 000000000..467c878c6 --- /dev/null +++ b/_static/skeleton.css @@ -0,0 +1,296 @@ +/* Some sane resets. */ +html { + height: 100%; +} + +body { + margin: 0; + min-height: 100%; +} + +/* All the flexbox magic! */ +body, +.sb-announcement, +.sb-content, +.sb-main, +.sb-container, +.sb-container__inner, +.sb-article-container, +.sb-footer-content, +.sb-header, +.sb-header-secondary, +.sb-footer { + display: flex; +} + +/* These order things vertically */ +body, +.sb-main, +.sb-article-container { + flex-direction: column; +} + +/* Put elements in the center */ +.sb-header, +.sb-header-secondary, +.sb-container, +.sb-content, +.sb-footer, +.sb-footer-content { + justify-content: center; +} +/* Put elements at the ends */ +.sb-article-container { + justify-content: space-between; +} + +/* These elements grow. */ +.sb-main, +.sb-content, +.sb-container, +article { + flex-grow: 1; +} + +/* Because padding making this wider is not fun */ +article { + box-sizing: border-box; +} + +/* The announcements element should never be wider than the page. */ +.sb-announcement { + max-width: 100%; +} + +.sb-sidebar-primary, +.sb-sidebar-secondary { + flex-shrink: 0; + width: 17rem; +} + +.sb-announcement__inner { + justify-content: center; + + box-sizing: border-box; + height: 3rem; + + overflow-x: auto; + white-space: nowrap; +} + +/* Sidebars, with checkbox-based toggle */ +.sb-sidebar-primary, +.sb-sidebar-secondary { + position: fixed; + height: 100%; + top: 0; +} + +.sb-sidebar-primary { + left: -17rem; + transition: left 250ms ease-in-out; +} +.sb-sidebar-secondary { + right: -17rem; + transition: right 250ms ease-in-out; +} + +.sb-sidebar-toggle { + display: none; +} +.sb-sidebar-overlay { + position: fixed; + top: 0; + width: 0; + height: 0; + + transition: width 0ms ease 250ms, height 0ms ease 250ms, opacity 250ms ease; + + opacity: 0; + background-color: rgba(0, 0, 0, 0.54); +} + +#sb-sidebar-toggle--primary:checked + ~ .sb-sidebar-overlay[for="sb-sidebar-toggle--primary"], +#sb-sidebar-toggle--secondary:checked + ~ .sb-sidebar-overlay[for="sb-sidebar-toggle--secondary"] { + width: 100%; + height: 100%; + opacity: 1; + transition: width 0ms ease, height 0ms ease, opacity 250ms ease; +} + +#sb-sidebar-toggle--primary:checked ~ .sb-container .sb-sidebar-primary { + left: 0; +} +#sb-sidebar-toggle--secondary:checked ~ .sb-container .sb-sidebar-secondary { + right: 0; +} + +/* Full-width mode */ +.drop-secondary-sidebar-for-full-width-content + .hide-when-secondary-sidebar-shown { + display: none !important; +} +.drop-secondary-sidebar-for-full-width-content .sb-sidebar-secondary { + display: none !important; +} + +/* Mobile views */ +.sb-page-width { + width: 100%; +} + +.sb-article-container, +.sb-footer-content__inner, +.drop-secondary-sidebar-for-full-width-content .sb-article, +.drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 100vw; +} + +.sb-article, +.match-content-width { + padding: 0 1rem; + box-sizing: border-box; +} + +@media (min-width: 32rem) { + .sb-article, + .match-content-width { + padding: 0 2rem; + } +} + +/* Tablet views */ +@media (min-width: 42rem) { + .sb-article-container { + width: auto; + } + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 42rem; + } + .sb-article, + .match-content-width { + width: 42rem; + } +} +@media (min-width: 46rem) { + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 46rem; + } + .sb-article, + .match-content-width { + width: 46rem; + } +} +@media (min-width: 50rem) { + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 50rem; + } + .sb-article, + .match-content-width { + width: 50rem; + } +} + +/* Tablet views */ +@media (min-width: 59rem) { + .sb-sidebar-secondary { + position: static; + } + .hide-when-secondary-sidebar-shown { + display: none !important; + } + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 59rem; + } + .sb-article, + .match-content-width { + width: 42rem; + } +} +@media (min-width: 63rem) { + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 63rem; + } + .sb-article, + .match-content-width { + width: 46rem; + } +} +@media (min-width: 67rem) { + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 67rem; + } + .sb-article, + .match-content-width { + width: 50rem; + } +} + +/* Desktop views */ +@media (min-width: 76rem) { + .sb-sidebar-primary { + position: static; + } + .hide-when-primary-sidebar-shown { + display: none !important; + } + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 59rem; + } + .sb-article, + .match-content-width { + width: 42rem; + } +} + +/* Full desktop views */ +@media (min-width: 80rem) { + .sb-article, + .match-content-width { + width: 46rem; + } + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 63rem; + } +} + +@media (min-width: 84rem) { + .sb-article, + .match-content-width { + width: 50rem; + } + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 67rem; + } +} + +@media (min-width: 88rem) { + .sb-footer-content__inner, + .drop-secondary-sidebar-for-full-width-content .sb-article, + .drop-secondary-sidebar-for-full-width-content .match-content-width { + width: 67rem; + } + .sb-page-width { + width: 88rem; + } +} diff --git a/_static/sphinx-design.min.css b/_static/sphinx-design.min.css new file mode 100644 index 000000000..860c36da0 --- /dev/null +++ b/_static/sphinx-design.min.css @@ -0,0 +1 @@ +.sd-bg-primary{background-color:var(--sd-color-primary) !important}.sd-bg-text-primary{color:var(--sd-color-primary-text) !important}button.sd-bg-primary:focus,button.sd-bg-primary:hover{background-color:var(--sd-color-primary-highlight) !important}a.sd-bg-primary:focus,a.sd-bg-primary:hover{background-color:var(--sd-color-primary-highlight) !important}.sd-bg-secondary{background-color:var(--sd-color-secondary) !important}.sd-bg-text-secondary{color:var(--sd-color-secondary-text) !important}button.sd-bg-secondary:focus,button.sd-bg-secondary:hover{background-color:var(--sd-color-secondary-highlight) !important}a.sd-bg-secondary:focus,a.sd-bg-secondary:hover{background-color:var(--sd-color-secondary-highlight) !important}.sd-bg-success{background-color:var(--sd-color-success) !important}.sd-bg-text-success{color:var(--sd-color-success-text) !important}button.sd-bg-success:focus,button.sd-bg-success:hover{background-color:var(--sd-color-success-highlight) !important}a.sd-bg-success:focus,a.sd-bg-success:hover{background-color:var(--sd-color-success-highlight) !important}.sd-bg-info{background-color:var(--sd-color-info) !important}.sd-bg-text-info{color:var(--sd-color-info-text) !important}button.sd-bg-info:focus,button.sd-bg-info:hover{background-color:var(--sd-color-info-highlight) !important}a.sd-bg-info:focus,a.sd-bg-info:hover{background-color:var(--sd-color-info-highlight) !important}.sd-bg-warning{background-color:var(--sd-color-warning) !important}.sd-bg-text-warning{color:var(--sd-color-warning-text) !important}button.sd-bg-warning:focus,button.sd-bg-warning:hover{background-color:var(--sd-color-warning-highlight) !important}a.sd-bg-warning:focus,a.sd-bg-warning:hover{background-color:var(--sd-color-warning-highlight) !important}.sd-bg-danger{background-color:var(--sd-color-danger) !important}.sd-bg-text-danger{color:var(--sd-color-danger-text) !important}button.sd-bg-danger:focus,button.sd-bg-danger:hover{background-color:var(--sd-color-danger-highlight) !important}a.sd-bg-danger:focus,a.sd-bg-danger:hover{background-color:var(--sd-color-danger-highlight) !important}.sd-bg-light{background-color:var(--sd-color-light) !important}.sd-bg-text-light{color:var(--sd-color-light-text) !important}button.sd-bg-light:focus,button.sd-bg-light:hover{background-color:var(--sd-color-light-highlight) !important}a.sd-bg-light:focus,a.sd-bg-light:hover{background-color:var(--sd-color-light-highlight) !important}.sd-bg-muted{background-color:var(--sd-color-muted) !important}.sd-bg-text-muted{color:var(--sd-color-muted-text) !important}button.sd-bg-muted:focus,button.sd-bg-muted:hover{background-color:var(--sd-color-muted-highlight) !important}a.sd-bg-muted:focus,a.sd-bg-muted:hover{background-color:var(--sd-color-muted-highlight) !important}.sd-bg-dark{background-color:var(--sd-color-dark) !important}.sd-bg-text-dark{color:var(--sd-color-dark-text) !important}button.sd-bg-dark:focus,button.sd-bg-dark:hover{background-color:var(--sd-color-dark-highlight) !important}a.sd-bg-dark:focus,a.sd-bg-dark:hover{background-color:var(--sd-color-dark-highlight) !important}.sd-bg-black{background-color:var(--sd-color-black) !important}.sd-bg-text-black{color:var(--sd-color-black-text) !important}button.sd-bg-black:focus,button.sd-bg-black:hover{background-color:var(--sd-color-black-highlight) !important}a.sd-bg-black:focus,a.sd-bg-black:hover{background-color:var(--sd-color-black-highlight) !important}.sd-bg-white{background-color:var(--sd-color-white) !important}.sd-bg-text-white{color:var(--sd-color-white-text) !important}button.sd-bg-white:focus,button.sd-bg-white:hover{background-color:var(--sd-color-white-highlight) !important}a.sd-bg-white:focus,a.sd-bg-white:hover{background-color:var(--sd-color-white-highlight) !important}.sd-text-primary,.sd-text-primary>p{color:var(--sd-color-primary) !important}a.sd-text-primary:focus,a.sd-text-primary:hover{color:var(--sd-color-primary-highlight) !important}.sd-text-secondary,.sd-text-secondary>p{color:var(--sd-color-secondary) !important}a.sd-text-secondary:focus,a.sd-text-secondary:hover{color:var(--sd-color-secondary-highlight) !important}.sd-text-success,.sd-text-success>p{color:var(--sd-color-success) !important}a.sd-text-success:focus,a.sd-text-success:hover{color:var(--sd-color-success-highlight) !important}.sd-text-info,.sd-text-info>p{color:var(--sd-color-info) !important}a.sd-text-info:focus,a.sd-text-info:hover{color:var(--sd-color-info-highlight) !important}.sd-text-warning,.sd-text-warning>p{color:var(--sd-color-warning) !important}a.sd-text-warning:focus,a.sd-text-warning:hover{color:var(--sd-color-warning-highlight) !important}.sd-text-danger,.sd-text-danger>p{color:var(--sd-color-danger) !important}a.sd-text-danger:focus,a.sd-text-danger:hover{color:var(--sd-color-danger-highlight) !important}.sd-text-light,.sd-text-light>p{color:var(--sd-color-light) !important}a.sd-text-light:focus,a.sd-text-light:hover{color:var(--sd-color-light-highlight) !important}.sd-text-muted,.sd-text-muted>p{color:var(--sd-color-muted) !important}a.sd-text-muted:focus,a.sd-text-muted:hover{color:var(--sd-color-muted-highlight) !important}.sd-text-dark,.sd-text-dark>p{color:var(--sd-color-dark) !important}a.sd-text-dark:focus,a.sd-text-dark:hover{color:var(--sd-color-dark-highlight) !important}.sd-text-black,.sd-text-black>p{color:var(--sd-color-black) !important}a.sd-text-black:focus,a.sd-text-black:hover{color:var(--sd-color-black-highlight) !important}.sd-text-white,.sd-text-white>p{color:var(--sd-color-white) !important}a.sd-text-white:focus,a.sd-text-white:hover{color:var(--sd-color-white-highlight) !important}.sd-outline-primary{border-color:var(--sd-color-primary) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-primary:focus,a.sd-outline-primary:hover{border-color:var(--sd-color-primary-highlight) !important}.sd-outline-secondary{border-color:var(--sd-color-secondary) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-secondary:focus,a.sd-outline-secondary:hover{border-color:var(--sd-color-secondary-highlight) !important}.sd-outline-success{border-color:var(--sd-color-success) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-success:focus,a.sd-outline-success:hover{border-color:var(--sd-color-success-highlight) !important}.sd-outline-info{border-color:var(--sd-color-info) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-info:focus,a.sd-outline-info:hover{border-color:var(--sd-color-info-highlight) !important}.sd-outline-warning{border-color:var(--sd-color-warning) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-warning:focus,a.sd-outline-warning:hover{border-color:var(--sd-color-warning-highlight) !important}.sd-outline-danger{border-color:var(--sd-color-danger) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-danger:focus,a.sd-outline-danger:hover{border-color:var(--sd-color-danger-highlight) !important}.sd-outline-light{border-color:var(--sd-color-light) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-light:focus,a.sd-outline-light:hover{border-color:var(--sd-color-light-highlight) !important}.sd-outline-muted{border-color:var(--sd-color-muted) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-muted:focus,a.sd-outline-muted:hover{border-color:var(--sd-color-muted-highlight) !important}.sd-outline-dark{border-color:var(--sd-color-dark) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-dark:focus,a.sd-outline-dark:hover{border-color:var(--sd-color-dark-highlight) !important}.sd-outline-black{border-color:var(--sd-color-black) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-black:focus,a.sd-outline-black:hover{border-color:var(--sd-color-black-highlight) !important}.sd-outline-white{border-color:var(--sd-color-white) !important;border-style:solid !important;border-width:1px !important}a.sd-outline-white:focus,a.sd-outline-white:hover{border-color:var(--sd-color-white-highlight) !important}.sd-bg-transparent{background-color:transparent !important}.sd-outline-transparent{border-color:transparent !important}.sd-text-transparent{color:transparent !important}.sd-p-0{padding:0 !important}.sd-pt-0,.sd-py-0{padding-top:0 !important}.sd-pr-0,.sd-px-0{padding-right:0 !important}.sd-pb-0,.sd-py-0{padding-bottom:0 !important}.sd-pl-0,.sd-px-0{padding-left:0 !important}.sd-p-1{padding:.25rem !important}.sd-pt-1,.sd-py-1{padding-top:.25rem !important}.sd-pr-1,.sd-px-1{padding-right:.25rem !important}.sd-pb-1,.sd-py-1{padding-bottom:.25rem !important}.sd-pl-1,.sd-px-1{padding-left:.25rem !important}.sd-p-2{padding:.5rem !important}.sd-pt-2,.sd-py-2{padding-top:.5rem !important}.sd-pr-2,.sd-px-2{padding-right:.5rem !important}.sd-pb-2,.sd-py-2{padding-bottom:.5rem !important}.sd-pl-2,.sd-px-2{padding-left:.5rem !important}.sd-p-3{padding:1rem !important}.sd-pt-3,.sd-py-3{padding-top:1rem !important}.sd-pr-3,.sd-px-3{padding-right:1rem !important}.sd-pb-3,.sd-py-3{padding-bottom:1rem !important}.sd-pl-3,.sd-px-3{padding-left:1rem !important}.sd-p-4{padding:1.5rem !important}.sd-pt-4,.sd-py-4{padding-top:1.5rem !important}.sd-pr-4,.sd-px-4{padding-right:1.5rem !important}.sd-pb-4,.sd-py-4{padding-bottom:1.5rem !important}.sd-pl-4,.sd-px-4{padding-left:1.5rem !important}.sd-p-5{padding:3rem !important}.sd-pt-5,.sd-py-5{padding-top:3rem !important}.sd-pr-5,.sd-px-5{padding-right:3rem !important}.sd-pb-5,.sd-py-5{padding-bottom:3rem !important}.sd-pl-5,.sd-px-5{padding-left:3rem !important}.sd-m-auto{margin:auto !important}.sd-mt-auto,.sd-my-auto{margin-top:auto !important}.sd-mr-auto,.sd-mx-auto{margin-right:auto !important}.sd-mb-auto,.sd-my-auto{margin-bottom:auto !important}.sd-ml-auto,.sd-mx-auto{margin-left:auto !important}.sd-m-0{margin:0 !important}.sd-mt-0,.sd-my-0{margin-top:0 !important}.sd-mr-0,.sd-mx-0{margin-right:0 !important}.sd-mb-0,.sd-my-0{margin-bottom:0 !important}.sd-ml-0,.sd-mx-0{margin-left:0 !important}.sd-m-1{margin:.25rem !important}.sd-mt-1,.sd-my-1{margin-top:.25rem !important}.sd-mr-1,.sd-mx-1{margin-right:.25rem !important}.sd-mb-1,.sd-my-1{margin-bottom:.25rem !important}.sd-ml-1,.sd-mx-1{margin-left:.25rem !important}.sd-m-2{margin:.5rem !important}.sd-mt-2,.sd-my-2{margin-top:.5rem !important}.sd-mr-2,.sd-mx-2{margin-right:.5rem !important}.sd-mb-2,.sd-my-2{margin-bottom:.5rem !important}.sd-ml-2,.sd-mx-2{margin-left:.5rem !important}.sd-m-3{margin:1rem !important}.sd-mt-3,.sd-my-3{margin-top:1rem !important}.sd-mr-3,.sd-mx-3{margin-right:1rem !important}.sd-mb-3,.sd-my-3{margin-bottom:1rem !important}.sd-ml-3,.sd-mx-3{margin-left:1rem !important}.sd-m-4{margin:1.5rem !important}.sd-mt-4,.sd-my-4{margin-top:1.5rem !important}.sd-mr-4,.sd-mx-4{margin-right:1.5rem !important}.sd-mb-4,.sd-my-4{margin-bottom:1.5rem !important}.sd-ml-4,.sd-mx-4{margin-left:1.5rem !important}.sd-m-5{margin:3rem !important}.sd-mt-5,.sd-my-5{margin-top:3rem !important}.sd-mr-5,.sd-mx-5{margin-right:3rem !important}.sd-mb-5,.sd-my-5{margin-bottom:3rem !important}.sd-ml-5,.sd-mx-5{margin-left:3rem !important}.sd-w-25{width:25% !important}.sd-w-50{width:50% !important}.sd-w-75{width:75% !important}.sd-w-100{width:100% !important}.sd-w-auto{width:auto !important}.sd-h-25{height:25% !important}.sd-h-50{height:50% !important}.sd-h-75{height:75% !important}.sd-h-100{height:100% !important}.sd-h-auto{height:auto !important}.sd-d-none{display:none !important}.sd-d-inline{display:inline !important}.sd-d-inline-block{display:inline-block !important}.sd-d-block{display:block !important}.sd-d-grid{display:grid !important}.sd-d-flex-row{display:-ms-flexbox !important;display:flex !important;flex-direction:row !important}.sd-d-flex-column{display:-ms-flexbox !important;display:flex !important;flex-direction:column !important}.sd-d-inline-flex{display:-ms-inline-flexbox !important;display:inline-flex !important}@media(min-width: 576px){.sd-d-sm-none{display:none !important}.sd-d-sm-inline{display:inline !important}.sd-d-sm-inline-block{display:inline-block !important}.sd-d-sm-block{display:block !important}.sd-d-sm-grid{display:grid !important}.sd-d-sm-flex{display:-ms-flexbox !important;display:flex !important}.sd-d-sm-inline-flex{display:-ms-inline-flexbox !important;display:inline-flex !important}}@media(min-width: 768px){.sd-d-md-none{display:none !important}.sd-d-md-inline{display:inline !important}.sd-d-md-inline-block{display:inline-block !important}.sd-d-md-block{display:block !important}.sd-d-md-grid{display:grid !important}.sd-d-md-flex{display:-ms-flexbox !important;display:flex !important}.sd-d-md-inline-flex{display:-ms-inline-flexbox !important;display:inline-flex !important}}@media(min-width: 992px){.sd-d-lg-none{display:none !important}.sd-d-lg-inline{display:inline !important}.sd-d-lg-inline-block{display:inline-block !important}.sd-d-lg-block{display:block !important}.sd-d-lg-grid{display:grid !important}.sd-d-lg-flex{display:-ms-flexbox !important;display:flex !important}.sd-d-lg-inline-flex{display:-ms-inline-flexbox !important;display:inline-flex !important}}@media(min-width: 1200px){.sd-d-xl-none{display:none !important}.sd-d-xl-inline{display:inline !important}.sd-d-xl-inline-block{display:inline-block !important}.sd-d-xl-block{display:block !important}.sd-d-xl-grid{display:grid !important}.sd-d-xl-flex{display:-ms-flexbox !important;display:flex !important}.sd-d-xl-inline-flex{display:-ms-inline-flexbox !important;display:inline-flex !important}}.sd-align-major-start{justify-content:flex-start !important}.sd-align-major-end{justify-content:flex-end !important}.sd-align-major-center{justify-content:center !important}.sd-align-major-justify{justify-content:space-between !important}.sd-align-major-spaced{justify-content:space-evenly !important}.sd-align-minor-start{align-items:flex-start !important}.sd-align-minor-end{align-items:flex-end !important}.sd-align-minor-center{align-items:center !important}.sd-align-minor-stretch{align-items:stretch !important}.sd-text-justify{text-align:justify !important}.sd-text-left{text-align:left !important}.sd-text-right{text-align:right !important}.sd-text-center{text-align:center !important}.sd-font-weight-light{font-weight:300 !important}.sd-font-weight-lighter{font-weight:lighter !important}.sd-font-weight-normal{font-weight:400 !important}.sd-font-weight-bold{font-weight:700 !important}.sd-font-weight-bolder{font-weight:bolder !important}.sd-font-italic{font-style:italic !important}.sd-text-decoration-none{text-decoration:none !important}.sd-text-lowercase{text-transform:lowercase !important}.sd-text-uppercase{text-transform:uppercase !important}.sd-text-capitalize{text-transform:capitalize !important}.sd-text-wrap{white-space:normal !important}.sd-text-nowrap{white-space:nowrap !important}.sd-text-truncate{overflow:hidden;text-overflow:ellipsis;white-space:nowrap}.sd-fs-1,.sd-fs-1>p{font-size:calc(1.375rem + 1.5vw) !important;line-height:unset !important}.sd-fs-2,.sd-fs-2>p{font-size:calc(1.325rem + 0.9vw) !important;line-height:unset !important}.sd-fs-3,.sd-fs-3>p{font-size:calc(1.3rem + 0.6vw) !important;line-height:unset !important}.sd-fs-4,.sd-fs-4>p{font-size:calc(1.275rem + 0.3vw) !important;line-height:unset !important}.sd-fs-5,.sd-fs-5>p{font-size:1.25rem !important;line-height:unset !important}.sd-fs-6,.sd-fs-6>p{font-size:1rem !important;line-height:unset !important}.sd-border-0{border:0 solid !important}.sd-border-top-0{border-top:0 solid !important}.sd-border-bottom-0{border-bottom:0 solid !important}.sd-border-right-0{border-right:0 solid !important}.sd-border-left-0{border-left:0 solid !important}.sd-border-1{border:1px solid !important}.sd-border-top-1{border-top:1px solid !important}.sd-border-bottom-1{border-bottom:1px solid !important}.sd-border-right-1{border-right:1px solid !important}.sd-border-left-1{border-left:1px solid !important}.sd-border-2{border:2px solid !important}.sd-border-top-2{border-top:2px solid !important}.sd-border-bottom-2{border-bottom:2px solid !important}.sd-border-right-2{border-right:2px solid !important}.sd-border-left-2{border-left:2px solid !important}.sd-border-3{border:3px solid !important}.sd-border-top-3{border-top:3px solid !important}.sd-border-bottom-3{border-bottom:3px solid !important}.sd-border-right-3{border-right:3px solid !important}.sd-border-left-3{border-left:3px solid !important}.sd-border-4{border:4px solid !important}.sd-border-top-4{border-top:4px solid !important}.sd-border-bottom-4{border-bottom:4px solid !important}.sd-border-right-4{border-right:4px solid !important}.sd-border-left-4{border-left:4px solid !important}.sd-border-5{border:5px solid !important}.sd-border-top-5{border-top:5px solid !important}.sd-border-bottom-5{border-bottom:5px solid !important}.sd-border-right-5{border-right:5px solid !important}.sd-border-left-5{border-left:5px solid !important}.sd-rounded-0{border-radius:0 !important}.sd-rounded-1{border-radius:.2rem !important}.sd-rounded-2{border-radius:.3rem !important}.sd-rounded-3{border-radius:.5rem !important}.sd-rounded-pill{border-radius:50rem !important}.sd-rounded-circle{border-radius:50% !important}.shadow-none{box-shadow:none !important}.sd-shadow-sm{box-shadow:0 .125rem .25rem var(--sd-color-shadow) !important}.sd-shadow-md{box-shadow:0 .5rem 1rem var(--sd-color-shadow) !important}.sd-shadow-lg{box-shadow:0 1rem 3rem var(--sd-color-shadow) !important}@keyframes sd-slide-from-left{0%{transform:translateX(-100%)}100%{transform:translateX(0)}}@keyframes sd-slide-from-right{0%{transform:translateX(200%)}100%{transform:translateX(0)}}@keyframes sd-grow100{0%{transform:scale(0);opacity:.5}100%{transform:scale(1);opacity:1}}@keyframes sd-grow50{0%{transform:scale(0.5);opacity:.5}100%{transform:scale(1);opacity:1}}@keyframes sd-grow50-rot20{0%{transform:scale(0.5) rotateZ(-20deg);opacity:.5}75%{transform:scale(1) rotateZ(5deg);opacity:1}95%{transform:scale(1) rotateZ(-1deg);opacity:1}100%{transform:scale(1) rotateZ(0);opacity:1}}.sd-animate-slide-from-left{animation:1s ease-out 0s 1 normal none running sd-slide-from-left}.sd-animate-slide-from-right{animation:1s ease-out 0s 1 normal none running sd-slide-from-right}.sd-animate-grow100{animation:1s ease-out 0s 1 normal none running sd-grow100}.sd-animate-grow50{animation:1s ease-out 0s 1 normal none running sd-grow50}.sd-animate-grow50-rot20{animation:1s ease-out 0s 1 normal none running sd-grow50-rot20}.sd-badge{display:inline-block;padding:.35em .65em;font-size:.75em;font-weight:700;line-height:1;text-align:center;white-space:nowrap;vertical-align:baseline;border-radius:.25rem}.sd-badge:empty{display:none}a.sd-badge{text-decoration:none}.sd-btn .sd-badge{position:relative;top:-1px}.sd-btn{background-color:transparent;border:1px solid transparent;border-radius:.25rem;cursor:pointer;display:inline-block;font-weight:400;font-size:1rem;line-height:1.5;padding:.375rem .75rem;text-align:center;text-decoration:none;transition:color .15s ease-in-out,background-color .15s ease-in-out,border-color .15s ease-in-out,box-shadow .15s ease-in-out;vertical-align:middle;user-select:none;-moz-user-select:none;-ms-user-select:none;-webkit-user-select:none}.sd-btn:hover{text-decoration:none}@media(prefers-reduced-motion: reduce){.sd-btn{transition:none}}.sd-btn-primary,.sd-btn-outline-primary:hover,.sd-btn-outline-primary:focus{color:var(--sd-color-primary-text) !important;background-color:var(--sd-color-primary) !important;border-color:var(--sd-color-primary) !important;border-width:1px !important;border-style:solid !important}.sd-btn-primary:hover,.sd-btn-primary:focus{color:var(--sd-color-primary-text) !important;background-color:var(--sd-color-primary-highlight) !important;border-color:var(--sd-color-primary-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-primary{color:var(--sd-color-primary) !important;border-color:var(--sd-color-primary) !important;border-width:1px !important;border-style:solid !important}.sd-btn-secondary,.sd-btn-outline-secondary:hover,.sd-btn-outline-secondary:focus{color:var(--sd-color-secondary-text) !important;background-color:var(--sd-color-secondary) !important;border-color:var(--sd-color-secondary) !important;border-width:1px !important;border-style:solid !important}.sd-btn-secondary:hover,.sd-btn-secondary:focus{color:var(--sd-color-secondary-text) !important;background-color:var(--sd-color-secondary-highlight) !important;border-color:var(--sd-color-secondary-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-secondary{color:var(--sd-color-secondary) !important;border-color:var(--sd-color-secondary) !important;border-width:1px !important;border-style:solid !important}.sd-btn-success,.sd-btn-outline-success:hover,.sd-btn-outline-success:focus{color:var(--sd-color-success-text) !important;background-color:var(--sd-color-success) !important;border-color:var(--sd-color-success) !important;border-width:1px !important;border-style:solid !important}.sd-btn-success:hover,.sd-btn-success:focus{color:var(--sd-color-success-text) !important;background-color:var(--sd-color-success-highlight) !important;border-color:var(--sd-color-success-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-success{color:var(--sd-color-success) !important;border-color:var(--sd-color-success) !important;border-width:1px !important;border-style:solid !important}.sd-btn-info,.sd-btn-outline-info:hover,.sd-btn-outline-info:focus{color:var(--sd-color-info-text) !important;background-color:var(--sd-color-info) !important;border-color:var(--sd-color-info) !important;border-width:1px !important;border-style:solid !important}.sd-btn-info:hover,.sd-btn-info:focus{color:var(--sd-color-info-text) !important;background-color:var(--sd-color-info-highlight) !important;border-color:var(--sd-color-info-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-info{color:var(--sd-color-info) !important;border-color:var(--sd-color-info) !important;border-width:1px !important;border-style:solid !important}.sd-btn-warning,.sd-btn-outline-warning:hover,.sd-btn-outline-warning:focus{color:var(--sd-color-warning-text) !important;background-color:var(--sd-color-warning) !important;border-color:var(--sd-color-warning) !important;border-width:1px !important;border-style:solid !important}.sd-btn-warning:hover,.sd-btn-warning:focus{color:var(--sd-color-warning-text) !important;background-color:var(--sd-color-warning-highlight) !important;border-color:var(--sd-color-warning-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-warning{color:var(--sd-color-warning) !important;border-color:var(--sd-color-warning) !important;border-width:1px !important;border-style:solid !important}.sd-btn-danger,.sd-btn-outline-danger:hover,.sd-btn-outline-danger:focus{color:var(--sd-color-danger-text) !important;background-color:var(--sd-color-danger) !important;border-color:var(--sd-color-danger) !important;border-width:1px !important;border-style:solid !important}.sd-btn-danger:hover,.sd-btn-danger:focus{color:var(--sd-color-danger-text) !important;background-color:var(--sd-color-danger-highlight) !important;border-color:var(--sd-color-danger-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-danger{color:var(--sd-color-danger) !important;border-color:var(--sd-color-danger) !important;border-width:1px !important;border-style:solid !important}.sd-btn-light,.sd-btn-outline-light:hover,.sd-btn-outline-light:focus{color:var(--sd-color-light-text) !important;background-color:var(--sd-color-light) !important;border-color:var(--sd-color-light) !important;border-width:1px !important;border-style:solid !important}.sd-btn-light:hover,.sd-btn-light:focus{color:var(--sd-color-light-text) !important;background-color:var(--sd-color-light-highlight) !important;border-color:var(--sd-color-light-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-light{color:var(--sd-color-light) !important;border-color:var(--sd-color-light) !important;border-width:1px !important;border-style:solid !important}.sd-btn-muted,.sd-btn-outline-muted:hover,.sd-btn-outline-muted:focus{color:var(--sd-color-muted-text) !important;background-color:var(--sd-color-muted) !important;border-color:var(--sd-color-muted) !important;border-width:1px !important;border-style:solid !important}.sd-btn-muted:hover,.sd-btn-muted:focus{color:var(--sd-color-muted-text) !important;background-color:var(--sd-color-muted-highlight) !important;border-color:var(--sd-color-muted-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-muted{color:var(--sd-color-muted) !important;border-color:var(--sd-color-muted) !important;border-width:1px !important;border-style:solid !important}.sd-btn-dark,.sd-btn-outline-dark:hover,.sd-btn-outline-dark:focus{color:var(--sd-color-dark-text) !important;background-color:var(--sd-color-dark) !important;border-color:var(--sd-color-dark) !important;border-width:1px !important;border-style:solid !important}.sd-btn-dark:hover,.sd-btn-dark:focus{color:var(--sd-color-dark-text) !important;background-color:var(--sd-color-dark-highlight) !important;border-color:var(--sd-color-dark-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-dark{color:var(--sd-color-dark) !important;border-color:var(--sd-color-dark) !important;border-width:1px !important;border-style:solid !important}.sd-btn-black,.sd-btn-outline-black:hover,.sd-btn-outline-black:focus{color:var(--sd-color-black-text) !important;background-color:var(--sd-color-black) !important;border-color:var(--sd-color-black) !important;border-width:1px !important;border-style:solid !important}.sd-btn-black:hover,.sd-btn-black:focus{color:var(--sd-color-black-text) !important;background-color:var(--sd-color-black-highlight) !important;border-color:var(--sd-color-black-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-black{color:var(--sd-color-black) !important;border-color:var(--sd-color-black) !important;border-width:1px !important;border-style:solid !important}.sd-btn-white,.sd-btn-outline-white:hover,.sd-btn-outline-white:focus{color:var(--sd-color-white-text) !important;background-color:var(--sd-color-white) !important;border-color:var(--sd-color-white) !important;border-width:1px !important;border-style:solid !important}.sd-btn-white:hover,.sd-btn-white:focus{color:var(--sd-color-white-text) !important;background-color:var(--sd-color-white-highlight) !important;border-color:var(--sd-color-white-highlight) !important;border-width:1px !important;border-style:solid !important}.sd-btn-outline-white{color:var(--sd-color-white) !important;border-color:var(--sd-color-white) !important;border-width:1px !important;border-style:solid !important}.sd-stretched-link::after{position:absolute;top:0;right:0;bottom:0;left:0;z-index:1;content:""}.sd-hide-link-text{font-size:0}.sd-octicon,.sd-material-icon{display:inline-block;fill:currentColor;vertical-align:middle}.sd-avatar-xs{border-radius:50%;object-fit:cover;object-position:center;width:1rem;height:1rem}.sd-avatar-sm{border-radius:50%;object-fit:cover;object-position:center;width:3rem;height:3rem}.sd-avatar-md{border-radius:50%;object-fit:cover;object-position:center;width:5rem;height:5rem}.sd-avatar-lg{border-radius:50%;object-fit:cover;object-position:center;width:7rem;height:7rem}.sd-avatar-xl{border-radius:50%;object-fit:cover;object-position:center;width:10rem;height:10rem}.sd-avatar-inherit{border-radius:50%;object-fit:cover;object-position:center;width:inherit;height:inherit}.sd-avatar-initial{border-radius:50%;object-fit:cover;object-position:center;width:initial;height:initial}.sd-card{background-clip:border-box;background-color:var(--sd-color-card-background);border:1px solid var(--sd-color-card-border);border-radius:.25rem;color:var(--sd-color-card-text);display:-ms-flexbox;display:flex;-ms-flex-direction:column;flex-direction:column;min-width:0;position:relative;word-wrap:break-word}.sd-card>hr{margin-left:0;margin-right:0}.sd-card-hover:hover{border-color:var(--sd-color-card-border-hover);transform:scale(1.01)}.sd-card-body{-ms-flex:1 1 auto;flex:1 1 auto;padding:1rem 1rem}.sd-card-title{margin-bottom:.5rem}.sd-card-subtitle{margin-top:-0.25rem;margin-bottom:0}.sd-card-text:last-child{margin-bottom:0}.sd-card-link:hover{text-decoration:none}.sd-card-link+.card-link{margin-left:1rem}.sd-card-header{padding:.5rem 1rem;margin-bottom:0;background-color:var(--sd-color-card-header);border-bottom:1px solid var(--sd-color-card-border)}.sd-card-header:first-child{border-radius:calc(0.25rem - 1px) calc(0.25rem - 1px) 0 0}.sd-card-footer{padding:.5rem 1rem;background-color:var(--sd-color-card-footer);border-top:1px solid var(--sd-color-card-border)}.sd-card-footer:last-child{border-radius:0 0 calc(0.25rem - 1px) calc(0.25rem - 1px)}.sd-card-header-tabs{margin-right:-0.5rem;margin-bottom:-0.5rem;margin-left:-0.5rem;border-bottom:0}.sd-card-header-pills{margin-right:-0.5rem;margin-left:-0.5rem}.sd-card-img-overlay{position:absolute;top:0;right:0;bottom:0;left:0;padding:1rem;border-radius:calc(0.25rem - 1px)}.sd-card-img,.sd-card-img-bottom,.sd-card-img-top{width:100%}.sd-card-img,.sd-card-img-top{border-top-left-radius:calc(0.25rem - 1px);border-top-right-radius:calc(0.25rem - 1px)}.sd-card-img,.sd-card-img-bottom{border-bottom-left-radius:calc(0.25rem - 1px);border-bottom-right-radius:calc(0.25rem - 1px)}.sd-cards-carousel{width:100%;display:flex;flex-wrap:nowrap;-ms-flex-direction:row;flex-direction:row;overflow-x:hidden;scroll-snap-type:x mandatory}.sd-cards-carousel.sd-show-scrollbar{overflow-x:auto}.sd-cards-carousel:hover,.sd-cards-carousel:focus{overflow-x:auto}.sd-cards-carousel>.sd-card{flex-shrink:0;scroll-snap-align:start}.sd-cards-carousel>.sd-card:not(:last-child){margin-right:3px}.sd-card-cols-1>.sd-card{width:90%}.sd-card-cols-2>.sd-card{width:45%}.sd-card-cols-3>.sd-card{width:30%}.sd-card-cols-4>.sd-card{width:22.5%}.sd-card-cols-5>.sd-card{width:18%}.sd-card-cols-6>.sd-card{width:15%}.sd-card-cols-7>.sd-card{width:12.8571428571%}.sd-card-cols-8>.sd-card{width:11.25%}.sd-card-cols-9>.sd-card{width:10%}.sd-card-cols-10>.sd-card{width:9%}.sd-card-cols-11>.sd-card{width:8.1818181818%}.sd-card-cols-12>.sd-card{width:7.5%}.sd-container,.sd-container-fluid,.sd-container-lg,.sd-container-md,.sd-container-sm,.sd-container-xl{margin-left:auto;margin-right:auto;padding-left:var(--sd-gutter-x, 0.75rem);padding-right:var(--sd-gutter-x, 0.75rem);width:100%}@media(min-width: 576px){.sd-container-sm,.sd-container{max-width:540px}}@media(min-width: 768px){.sd-container-md,.sd-container-sm,.sd-container{max-width:720px}}@media(min-width: 992px){.sd-container-lg,.sd-container-md,.sd-container-sm,.sd-container{max-width:960px}}@media(min-width: 1200px){.sd-container-xl,.sd-container-lg,.sd-container-md,.sd-container-sm,.sd-container{max-width:1140px}}.sd-row{--sd-gutter-x: 1.5rem;--sd-gutter-y: 0;display:-ms-flexbox;display:flex;-ms-flex-wrap:wrap;flex-wrap:wrap;margin-top:calc(var(--sd-gutter-y) * -1);margin-right:calc(var(--sd-gutter-x) * -0.5);margin-left:calc(var(--sd-gutter-x) * -0.5)}.sd-row>*{box-sizing:border-box;flex-shrink:0;width:100%;max-width:100%;padding-right:calc(var(--sd-gutter-x) * 0.5);padding-left:calc(var(--sd-gutter-x) * 0.5);margin-top:var(--sd-gutter-y)}.sd-col{flex:1 0 0%;-ms-flex:1 0 0%}.sd-row-cols-auto>*{flex:0 0 auto;width:auto}.sd-row-cols-1>*{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-row-cols-2>*{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-row-cols-3>*{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-row-cols-4>*{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-row-cols-5>*{flex:0 0 auto;-ms-flex:0 0 auto;width:20%}.sd-row-cols-6>*{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-row-cols-7>*{flex:0 0 auto;-ms-flex:0 0 auto;width:14.2857142857%}.sd-row-cols-8>*{flex:0 0 auto;-ms-flex:0 0 auto;width:12.5%}.sd-row-cols-9>*{flex:0 0 auto;-ms-flex:0 0 auto;width:11.1111111111%}.sd-row-cols-10>*{flex:0 0 auto;-ms-flex:0 0 auto;width:10%}.sd-row-cols-11>*{flex:0 0 auto;-ms-flex:0 0 auto;width:9.0909090909%}.sd-row-cols-12>*{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}@media(min-width: 576px){.sd-col-sm{flex:1 0 0%;-ms-flex:1 0 0%}.sd-row-cols-sm-auto{flex:1 0 auto;-ms-flex:1 0 auto;width:100%}.sd-row-cols-sm-1>*{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-row-cols-sm-2>*{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-row-cols-sm-3>*{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-row-cols-sm-4>*{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-row-cols-sm-5>*{flex:0 0 auto;-ms-flex:0 0 auto;width:20%}.sd-row-cols-sm-6>*{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-row-cols-sm-7>*{flex:0 0 auto;-ms-flex:0 0 auto;width:14.2857142857%}.sd-row-cols-sm-8>*{flex:0 0 auto;-ms-flex:0 0 auto;width:12.5%}.sd-row-cols-sm-9>*{flex:0 0 auto;-ms-flex:0 0 auto;width:11.1111111111%}.sd-row-cols-sm-10>*{flex:0 0 auto;-ms-flex:0 0 auto;width:10%}.sd-row-cols-sm-11>*{flex:0 0 auto;-ms-flex:0 0 auto;width:9.0909090909%}.sd-row-cols-sm-12>*{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}}@media(min-width: 768px){.sd-col-md{flex:1 0 0%;-ms-flex:1 0 0%}.sd-row-cols-md-auto{flex:1 0 auto;-ms-flex:1 0 auto;width:100%}.sd-row-cols-md-1>*{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-row-cols-md-2>*{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-row-cols-md-3>*{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-row-cols-md-4>*{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-row-cols-md-5>*{flex:0 0 auto;-ms-flex:0 0 auto;width:20%}.sd-row-cols-md-6>*{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-row-cols-md-7>*{flex:0 0 auto;-ms-flex:0 0 auto;width:14.2857142857%}.sd-row-cols-md-8>*{flex:0 0 auto;-ms-flex:0 0 auto;width:12.5%}.sd-row-cols-md-9>*{flex:0 0 auto;-ms-flex:0 0 auto;width:11.1111111111%}.sd-row-cols-md-10>*{flex:0 0 auto;-ms-flex:0 0 auto;width:10%}.sd-row-cols-md-11>*{flex:0 0 auto;-ms-flex:0 0 auto;width:9.0909090909%}.sd-row-cols-md-12>*{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}}@media(min-width: 992px){.sd-col-lg{flex:1 0 0%;-ms-flex:1 0 0%}.sd-row-cols-lg-auto{flex:1 0 auto;-ms-flex:1 0 auto;width:100%}.sd-row-cols-lg-1>*{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-row-cols-lg-2>*{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-row-cols-lg-3>*{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-row-cols-lg-4>*{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-row-cols-lg-5>*{flex:0 0 auto;-ms-flex:0 0 auto;width:20%}.sd-row-cols-lg-6>*{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-row-cols-lg-7>*{flex:0 0 auto;-ms-flex:0 0 auto;width:14.2857142857%}.sd-row-cols-lg-8>*{flex:0 0 auto;-ms-flex:0 0 auto;width:12.5%}.sd-row-cols-lg-9>*{flex:0 0 auto;-ms-flex:0 0 auto;width:11.1111111111%}.sd-row-cols-lg-10>*{flex:0 0 auto;-ms-flex:0 0 auto;width:10%}.sd-row-cols-lg-11>*{flex:0 0 auto;-ms-flex:0 0 auto;width:9.0909090909%}.sd-row-cols-lg-12>*{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}}@media(min-width: 1200px){.sd-col-xl{flex:1 0 0%;-ms-flex:1 0 0%}.sd-row-cols-xl-auto{flex:1 0 auto;-ms-flex:1 0 auto;width:100%}.sd-row-cols-xl-1>*{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-row-cols-xl-2>*{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-row-cols-xl-3>*{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-row-cols-xl-4>*{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-row-cols-xl-5>*{flex:0 0 auto;-ms-flex:0 0 auto;width:20%}.sd-row-cols-xl-6>*{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-row-cols-xl-7>*{flex:0 0 auto;-ms-flex:0 0 auto;width:14.2857142857%}.sd-row-cols-xl-8>*{flex:0 0 auto;-ms-flex:0 0 auto;width:12.5%}.sd-row-cols-xl-9>*{flex:0 0 auto;-ms-flex:0 0 auto;width:11.1111111111%}.sd-row-cols-xl-10>*{flex:0 0 auto;-ms-flex:0 0 auto;width:10%}.sd-row-cols-xl-11>*{flex:0 0 auto;-ms-flex:0 0 auto;width:9.0909090909%}.sd-row-cols-xl-12>*{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}}.sd-col-auto{flex:0 0 auto;-ms-flex:0 0 auto;width:auto}.sd-col-1{flex:0 0 auto;-ms-flex:0 0 auto;width:8.3333333333%}.sd-col-2{flex:0 0 auto;-ms-flex:0 0 auto;width:16.6666666667%}.sd-col-3{flex:0 0 auto;-ms-flex:0 0 auto;width:25%}.sd-col-4{flex:0 0 auto;-ms-flex:0 0 auto;width:33.3333333333%}.sd-col-5{flex:0 0 auto;-ms-flex:0 0 auto;width:41.6666666667%}.sd-col-6{flex:0 0 auto;-ms-flex:0 0 auto;width:50%}.sd-col-7{flex:0 0 auto;-ms-flex:0 0 auto;width:58.3333333333%}.sd-col-8{flex:0 0 auto;-ms-flex:0 0 auto;width:66.6666666667%}.sd-col-9{flex:0 0 auto;-ms-flex:0 0 auto;width:75%}.sd-col-10{flex:0 0 auto;-ms-flex:0 0 auto;width:83.3333333333%}.sd-col-11{flex:0 0 auto;-ms-flex:0 0 auto;width:91.6666666667%}.sd-col-12{flex:0 0 auto;-ms-flex:0 0 auto;width:100%}.sd-g-0,.sd-gy-0{--sd-gutter-y: 0}.sd-g-0,.sd-gx-0{--sd-gutter-x: 0}.sd-g-1,.sd-gy-1{--sd-gutter-y: 0.25rem}.sd-g-1,.sd-gx-1{--sd-gutter-x: 0.25rem}.sd-g-2,.sd-gy-2{--sd-gutter-y: 0.5rem}.sd-g-2,.sd-gx-2{--sd-gutter-x: 0.5rem}.sd-g-3,.sd-gy-3{--sd-gutter-y: 1rem}.sd-g-3,.sd-gx-3{--sd-gutter-x: 1rem}.sd-g-4,.sd-gy-4{--sd-gutter-y: 1.5rem}.sd-g-4,.sd-gx-4{--sd-gutter-x: 1.5rem}.sd-g-5,.sd-gy-5{--sd-gutter-y: 3rem}.sd-g-5,.sd-gx-5{--sd-gutter-x: 3rem}@media(min-width: 576px){.sd-col-sm-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-sm-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-sm-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-sm-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-sm-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-sm-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-sm-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-sm-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-sm-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-sm-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-sm-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-sm-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-sm-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-sm-0,.sd-gy-sm-0{--sd-gutter-y: 0}.sd-g-sm-0,.sd-gx-sm-0{--sd-gutter-x: 0}.sd-g-sm-1,.sd-gy-sm-1{--sd-gutter-y: 0.25rem}.sd-g-sm-1,.sd-gx-sm-1{--sd-gutter-x: 0.25rem}.sd-g-sm-2,.sd-gy-sm-2{--sd-gutter-y: 0.5rem}.sd-g-sm-2,.sd-gx-sm-2{--sd-gutter-x: 0.5rem}.sd-g-sm-3,.sd-gy-sm-3{--sd-gutter-y: 1rem}.sd-g-sm-3,.sd-gx-sm-3{--sd-gutter-x: 1rem}.sd-g-sm-4,.sd-gy-sm-4{--sd-gutter-y: 1.5rem}.sd-g-sm-4,.sd-gx-sm-4{--sd-gutter-x: 1.5rem}.sd-g-sm-5,.sd-gy-sm-5{--sd-gutter-y: 3rem}.sd-g-sm-5,.sd-gx-sm-5{--sd-gutter-x: 3rem}}@media(min-width: 768px){.sd-col-md-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-md-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-md-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-md-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-md-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-md-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-md-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-md-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-md-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-md-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-md-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-md-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-md-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-md-0,.sd-gy-md-0{--sd-gutter-y: 0}.sd-g-md-0,.sd-gx-md-0{--sd-gutter-x: 0}.sd-g-md-1,.sd-gy-md-1{--sd-gutter-y: 0.25rem}.sd-g-md-1,.sd-gx-md-1{--sd-gutter-x: 0.25rem}.sd-g-md-2,.sd-gy-md-2{--sd-gutter-y: 0.5rem}.sd-g-md-2,.sd-gx-md-2{--sd-gutter-x: 0.5rem}.sd-g-md-3,.sd-gy-md-3{--sd-gutter-y: 1rem}.sd-g-md-3,.sd-gx-md-3{--sd-gutter-x: 1rem}.sd-g-md-4,.sd-gy-md-4{--sd-gutter-y: 1.5rem}.sd-g-md-4,.sd-gx-md-4{--sd-gutter-x: 1.5rem}.sd-g-md-5,.sd-gy-md-5{--sd-gutter-y: 3rem}.sd-g-md-5,.sd-gx-md-5{--sd-gutter-x: 3rem}}@media(min-width: 992px){.sd-col-lg-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-lg-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-lg-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-lg-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-lg-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-lg-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-lg-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-lg-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-lg-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-lg-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-lg-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-lg-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-lg-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-lg-0,.sd-gy-lg-0{--sd-gutter-y: 0}.sd-g-lg-0,.sd-gx-lg-0{--sd-gutter-x: 0}.sd-g-lg-1,.sd-gy-lg-1{--sd-gutter-y: 0.25rem}.sd-g-lg-1,.sd-gx-lg-1{--sd-gutter-x: 0.25rem}.sd-g-lg-2,.sd-gy-lg-2{--sd-gutter-y: 0.5rem}.sd-g-lg-2,.sd-gx-lg-2{--sd-gutter-x: 0.5rem}.sd-g-lg-3,.sd-gy-lg-3{--sd-gutter-y: 1rem}.sd-g-lg-3,.sd-gx-lg-3{--sd-gutter-x: 1rem}.sd-g-lg-4,.sd-gy-lg-4{--sd-gutter-y: 1.5rem}.sd-g-lg-4,.sd-gx-lg-4{--sd-gutter-x: 1.5rem}.sd-g-lg-5,.sd-gy-lg-5{--sd-gutter-y: 3rem}.sd-g-lg-5,.sd-gx-lg-5{--sd-gutter-x: 3rem}}@media(min-width: 1200px){.sd-col-xl-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-xl-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-xl-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-xl-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-xl-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-xl-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-xl-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-xl-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-xl-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-xl-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-xl-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-xl-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-xl-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-xl-0,.sd-gy-xl-0{--sd-gutter-y: 0}.sd-g-xl-0,.sd-gx-xl-0{--sd-gutter-x: 0}.sd-g-xl-1,.sd-gy-xl-1{--sd-gutter-y: 0.25rem}.sd-g-xl-1,.sd-gx-xl-1{--sd-gutter-x: 0.25rem}.sd-g-xl-2,.sd-gy-xl-2{--sd-gutter-y: 0.5rem}.sd-g-xl-2,.sd-gx-xl-2{--sd-gutter-x: 0.5rem}.sd-g-xl-3,.sd-gy-xl-3{--sd-gutter-y: 1rem}.sd-g-xl-3,.sd-gx-xl-3{--sd-gutter-x: 1rem}.sd-g-xl-4,.sd-gy-xl-4{--sd-gutter-y: 1.5rem}.sd-g-xl-4,.sd-gx-xl-4{--sd-gutter-x: 1.5rem}.sd-g-xl-5,.sd-gy-xl-5{--sd-gutter-y: 3rem}.sd-g-xl-5,.sd-gx-xl-5{--sd-gutter-x: 3rem}}.sd-flex-row-reverse{flex-direction:row-reverse !important}details.sd-dropdown{position:relative;font-size:var(--sd-fontsize-dropdown)}details.sd-dropdown:hover{cursor:pointer}details.sd-dropdown .sd-summary-content{cursor:default}details.sd-dropdown summary.sd-summary-title{padding:.5em .6em .5em 1em;font-size:var(--sd-fontsize-dropdown-title);font-weight:var(--sd-fontweight-dropdown-title);user-select:none;-moz-user-select:none;-ms-user-select:none;-webkit-user-select:none;list-style:none;display:inline-flex;justify-content:space-between}details.sd-dropdown summary.sd-summary-title::-webkit-details-marker{display:none}details.sd-dropdown summary.sd-summary-title:focus{outline:none}details.sd-dropdown summary.sd-summary-title .sd-summary-icon{margin-right:.6em;display:inline-flex;align-items:center}details.sd-dropdown summary.sd-summary-title .sd-summary-icon svg{opacity:.8}details.sd-dropdown summary.sd-summary-title .sd-summary-text{flex-grow:1;line-height:1.5;padding-right:.5rem}details.sd-dropdown summary.sd-summary-title .sd-summary-state-marker{pointer-events:none;display:inline-flex;align-items:center}details.sd-dropdown summary.sd-summary-title .sd-summary-state-marker svg{opacity:.6}details.sd-dropdown summary.sd-summary-title:hover .sd-summary-state-marker svg{opacity:1;transform:scale(1.1)}details.sd-dropdown[open] summary .sd-octicon.no-title{visibility:hidden}details.sd-dropdown .sd-summary-chevron-right{transition:.25s}details.sd-dropdown[open]>.sd-summary-title .sd-summary-chevron-right{transform:rotate(90deg)}details.sd-dropdown[open]>.sd-summary-title .sd-summary-chevron-down{transform:rotate(180deg)}details.sd-dropdown:not([open]).sd-card{border:none}details.sd-dropdown:not([open])>.sd-card-header{border:1px solid var(--sd-color-card-border);border-radius:.25rem}details.sd-dropdown.sd-fade-in[open] summary~*{-moz-animation:sd-fade-in .5s ease-in-out;-webkit-animation:sd-fade-in .5s ease-in-out;animation:sd-fade-in .5s ease-in-out}details.sd-dropdown.sd-fade-in-slide-down[open] summary~*{-moz-animation:sd-fade-in .5s ease-in-out,sd-slide-down .5s ease-in-out;-webkit-animation:sd-fade-in .5s ease-in-out,sd-slide-down .5s ease-in-out;animation:sd-fade-in .5s ease-in-out,sd-slide-down .5s ease-in-out}.sd-col>.sd-dropdown{width:100%}.sd-summary-content>.sd-tab-set:first-child{margin-top:0}@keyframes sd-fade-in{0%{opacity:0}100%{opacity:1}}@keyframes sd-slide-down{0%{transform:translate(0, -10px)}100%{transform:translate(0, 0)}}.sd-tab-set{border-radius:.125rem;display:flex;flex-wrap:wrap;margin:1em 0;position:relative}.sd-tab-set>input{opacity:0;position:absolute}.sd-tab-set>input:checked+label{border-color:var(--sd-color-tabs-underline-active);color:var(--sd-color-tabs-label-active)}.sd-tab-set>input:checked+label+.sd-tab-content{display:block}.sd-tab-set>input:not(:checked)+label:hover{color:var(--sd-color-tabs-label-hover);border-color:var(--sd-color-tabs-underline-hover)}.sd-tab-set>input:focus+label{outline-style:auto}.sd-tab-set>input:not(.focus-visible)+label{outline:none;-webkit-tap-highlight-color:transparent}.sd-tab-set>label{border-bottom:.125rem solid transparent;margin-bottom:0;color:var(--sd-color-tabs-label-inactive);border-color:var(--sd-color-tabs-underline-inactive);cursor:pointer;font-size:var(--sd-fontsize-tabs-label);font-weight:700;padding:1em 1.25em .5em;transition:color 250ms;width:auto;z-index:1}html .sd-tab-set>label:hover{color:var(--sd-color-tabs-label-active)}.sd-col>.sd-tab-set{width:100%}.sd-tab-content{box-shadow:0 -0.0625rem var(--sd-color-tabs-overline),0 .0625rem var(--sd-color-tabs-underline);display:none;order:99;padding-bottom:.75rem;padding-top:.75rem;width:100%}.sd-tab-content>:first-child{margin-top:0 !important}.sd-tab-content>:last-child{margin-bottom:0 !important}.sd-tab-content>.sd-tab-set{margin:0}.sd-sphinx-override,.sd-sphinx-override *{-moz-box-sizing:border-box;-webkit-box-sizing:border-box;box-sizing:border-box}.sd-sphinx-override p{margin-top:0}:root{--sd-color-primary: #0071bc;--sd-color-secondary: #6c757d;--sd-color-success: #28a745;--sd-color-info: #17a2b8;--sd-color-warning: #f0b37e;--sd-color-danger: #dc3545;--sd-color-light: #f8f9fa;--sd-color-muted: #6c757d;--sd-color-dark: #212529;--sd-color-black: black;--sd-color-white: white;--sd-color-primary-highlight: #0060a0;--sd-color-secondary-highlight: #5c636a;--sd-color-success-highlight: #228e3b;--sd-color-info-highlight: #148a9c;--sd-color-warning-highlight: #cc986b;--sd-color-danger-highlight: #bb2d3b;--sd-color-light-highlight: #d3d4d5;--sd-color-muted-highlight: #5c636a;--sd-color-dark-highlight: #1c1f23;--sd-color-black-highlight: black;--sd-color-white-highlight: #d9d9d9;--sd-color-primary-bg: rgba(0, 113, 188, 0.2);--sd-color-secondary-bg: rgba(108, 117, 125, 0.2);--sd-color-success-bg: rgba(40, 167, 69, 0.2);--sd-color-info-bg: rgba(23, 162, 184, 0.2);--sd-color-warning-bg: rgba(240, 179, 126, 0.2);--sd-color-danger-bg: rgba(220, 53, 69, 0.2);--sd-color-light-bg: rgba(248, 249, 250, 0.2);--sd-color-muted-bg: rgba(108, 117, 125, 0.2);--sd-color-dark-bg: rgba(33, 37, 41, 0.2);--sd-color-black-bg: rgba(0, 0, 0, 0.2);--sd-color-white-bg: rgba(255, 255, 255, 0.2);--sd-color-primary-text: #fff;--sd-color-secondary-text: #fff;--sd-color-success-text: #fff;--sd-color-info-text: #fff;--sd-color-warning-text: #212529;--sd-color-danger-text: #fff;--sd-color-light-text: #212529;--sd-color-muted-text: #fff;--sd-color-dark-text: #fff;--sd-color-black-text: #fff;--sd-color-white-text: #212529;--sd-color-shadow: rgba(0, 0, 0, 0.15);--sd-color-card-border: rgba(0, 0, 0, 0.125);--sd-color-card-border-hover: hsla(231, 99%, 66%, 1);--sd-color-card-background: transparent;--sd-color-card-text: inherit;--sd-color-card-header: transparent;--sd-color-card-footer: transparent;--sd-color-tabs-label-active: hsla(231, 99%, 66%, 1);--sd-color-tabs-label-hover: hsla(231, 99%, 66%, 1);--sd-color-tabs-label-inactive: hsl(0, 0%, 66%);--sd-color-tabs-underline-active: hsla(231, 99%, 66%, 1);--sd-color-tabs-underline-hover: rgba(178, 206, 245, 0.62);--sd-color-tabs-underline-inactive: transparent;--sd-color-tabs-overline: rgb(222, 222, 222);--sd-color-tabs-underline: rgb(222, 222, 222);--sd-fontsize-tabs-label: 1rem;--sd-fontsize-dropdown: inherit;--sd-fontsize-dropdown-title: 1rem;--sd-fontweight-dropdown-title: 700} diff --git a/_static/sphinx_highlight.js b/_static/sphinx_highlight.js new file mode 100644 index 000000000..a74e103a8 --- /dev/null +++ b/_static/sphinx_highlight.js @@ -0,0 +1,159 @@ +/* Highlighting utilities for Sphinx HTML documentation. */ +"use strict"; + +const SPHINX_HIGHLIGHT_ENABLED = true; + +/** + * highlight a given string on a node by wrapping it in + * span elements with the given class name. + */ +const _highlight = (node, addItems, text, className) => { + if (node.nodeType === Node.TEXT_NODE) { + const val = node.nodeValue; + const parent = node.parentNode; + const pos = val.toLowerCase().indexOf(text); + if ( + pos >= 0 + && !parent.classList.contains(className) + && !parent.classList.contains("nohighlight") + ) { + let span; + + const closestNode = parent.closest("body, svg, foreignObject"); + const isInSVG = closestNode && closestNode.matches("svg"); + if (isInSVG) { + span = document.createElementNS("http://www.w3.org/2000/svg", "tspan"); + } else { + span = document.createElement("span"); + span.classList.add(className); + } + + span.appendChild(document.createTextNode(val.substr(pos, text.length))); + const rest = document.createTextNode(val.substr(pos + text.length)); + parent.insertBefore(span, parent.insertBefore(rest, node.nextSibling)); + node.nodeValue = val.substr(0, pos); + /* There may be more occurrences of search term in this node. So call this + * function recursively on the remaining fragment. + */ + _highlight(rest, addItems, text, className); + + if (isInSVG) { + const rect = document.createElementNS( + "http://www.w3.org/2000/svg", + "rect", + ); + const bbox = parent.getBBox(); + rect.x.baseVal.value = bbox.x; + rect.y.baseVal.value = bbox.y; + rect.width.baseVal.value = bbox.width; + rect.height.baseVal.value = bbox.height; + rect.setAttribute("class", className); + addItems.push({ parent: parent, target: rect }); + } + } + } else if (node.matches && !node.matches("button, select, textarea")) { + node.childNodes.forEach((el) => _highlight(el, addItems, text, className)); + } +}; +const _highlightText = (thisNode, text, className) => { + let addItems = []; + _highlight(thisNode, addItems, text, className); + addItems.forEach((obj) => + obj.parent.insertAdjacentElement("beforebegin", obj.target), + ); +}; + +/** + * Small JavaScript module for the documentation. + */ +const SphinxHighlight = { + /** + * highlight the search words provided in localstorage in the text + */ + highlightSearchWords: () => { + if (!SPHINX_HIGHLIGHT_ENABLED) return; // bail if no highlight + + // get and clear terms from localstorage + const url = new URL(window.location); + const highlight = + localStorage.getItem("sphinx_highlight_terms") + || url.searchParams.get("highlight") + || ""; + localStorage.removeItem("sphinx_highlight_terms"); + // Update history only if '?highlight' is present; otherwise it + // clears text fragments (not set in window.location by the browser) + if (url.searchParams.has("highlight")) { + url.searchParams.delete("highlight"); + window.history.replaceState({}, "", url); + } + + // get individual terms from highlight string + const terms = highlight + .toLowerCase() + .split(/\s+/) + .filter((x) => x); + if (terms.length === 0) return; // nothing to do + + // There should never be more than one element matching "div.body" + const divBody = document.querySelectorAll("div.body"); + const body = divBody.length ? divBody[0] : document.querySelector("body"); + window.setTimeout(() => { + terms.forEach((term) => _highlightText(body, term, "highlighted")); + }, 10); + + const searchBox = document.getElementById("searchbox"); + if (searchBox === null) return; + searchBox.appendChild( + document + .createRange() + .createContextualFragment( + '", + ), + ); + }, + + /** + * helper function to hide the search marks again + */ + hideSearchWords: () => { + document + .querySelectorAll("#searchbox .highlight-link") + .forEach((el) => el.remove()); + document + .querySelectorAll("span.highlighted") + .forEach((el) => el.classList.remove("highlighted")); + localStorage.removeItem("sphinx_highlight_terms"); + }, + + initEscapeListener: () => { + // only install a listener if it is really needed + if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) return; + + document.addEventListener("keydown", (event) => { + // bail for input elements + if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) + return; + // bail with special keys + if (event.shiftKey || event.altKey || event.ctrlKey || event.metaKey) + return; + if ( + DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS + && event.key === "Escape" + ) { + SphinxHighlight.hideSearchWords(); + event.preventDefault(); + } + }); + }, +}; + +_ready(() => { + /* Do not call highlightSearchWords() when we are on the search page. + * It will highlight words from the *previous* search query. + */ + if (typeof Search === "undefined") SphinxHighlight.highlightSearchWords(); + SphinxHighlight.initEscapeListener(); +}); diff --git a/_static/styles/furo-extensions.css b/_static/styles/furo-extensions.css new file mode 100644 index 000000000..2d74267fe --- /dev/null +++ b/_static/styles/furo-extensions.css @@ -0,0 +1,2 @@ +#furo-sidebar-ad-placement{padding:var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal)}#furo-sidebar-ad-placement .ethical-sidebar{background:var(--color-background-secondary);border:none;box-shadow:none}#furo-sidebar-ad-placement .ethical-sidebar:hover{background:var(--color-background-hover)}#furo-sidebar-ad-placement .ethical-sidebar a{color:var(--color-foreground-primary)}#furo-sidebar-ad-placement .ethical-callout a{color:var(--color-foreground-secondary)!important}#furo-readthedocs-versions{background:transparent;display:block;position:static;width:100%}#furo-readthedocs-versions .rst-versions{background:#1a1c1e}#furo-readthedocs-versions .rst-current-version{background:var(--color-sidebar-item-background);cursor:unset}#furo-readthedocs-versions .rst-current-version:hover{background:var(--color-sidebar-item-background)}#furo-readthedocs-versions .rst-current-version .fa-book{color:var(--color-foreground-primary)}#furo-readthedocs-versions>.rst-other-versions{padding:0}#furo-readthedocs-versions>.rst-other-versions small{opacity:1}#furo-readthedocs-versions .injected .rst-versions{position:unset}#furo-readthedocs-versions:focus-within,#furo-readthedocs-versions:hover{box-shadow:0 0 0 1px var(--color-sidebar-background-border)}#furo-readthedocs-versions:focus-within .rst-current-version,#furo-readthedocs-versions:hover .rst-current-version{background:#1a1c1e;font-size:inherit;height:auto;line-height:inherit;padding:12px;text-align:right}#furo-readthedocs-versions:focus-within .rst-current-version .fa-book,#furo-readthedocs-versions:hover .rst-current-version .fa-book{color:#fff;float:left}#furo-readthedocs-versions:focus-within .fa-caret-down,#furo-readthedocs-versions:hover .fa-caret-down{display:none}#furo-readthedocs-versions:focus-within .injected,#furo-readthedocs-versions:focus-within .rst-current-version,#furo-readthedocs-versions:focus-within .rst-other-versions,#furo-readthedocs-versions:hover .injected,#furo-readthedocs-versions:hover .rst-current-version,#furo-readthedocs-versions:hover .rst-other-versions{display:block}#furo-readthedocs-versions:focus-within>.rst-current-version,#furo-readthedocs-versions:hover>.rst-current-version{display:none}.highlight:hover button.copybtn{color:var(--color-code-foreground)}.highlight button.copybtn{align-items:center;background-color:var(--color-code-background);border:none;color:var(--color-background-item);cursor:pointer;height:1.25em;right:.5rem;top:.625rem;transition:color .3s,opacity .3s;width:1.25em}.highlight button.copybtn:hover{background-color:var(--color-code-background);color:var(--color-brand-content)}.highlight button.copybtn:after{background-color:transparent;color:var(--color-code-foreground);display:none}.highlight button.copybtn.success{color:#22863a;transition:color 0s}.highlight button.copybtn.success:after{display:block}.highlight button.copybtn svg{padding:0}body{--sd-color-primary:var(--color-brand-primary);--sd-color-primary-highlight:var(--color-brand-content);--sd-color-primary-text:var(--color-background-primary);--sd-color-shadow:rgba(0,0,0,.05);--sd-color-card-border:var(--color-card-border);--sd-color-card-border-hover:var(--color-brand-content);--sd-color-card-background:var(--color-card-background);--sd-color-card-text:var(--color-foreground-primary);--sd-color-card-header:var(--color-card-marginals-background);--sd-color-card-footer:var(--color-card-marginals-background);--sd-color-tabs-label-active:var(--color-brand-content);--sd-color-tabs-label-hover:var(--color-foreground-muted);--sd-color-tabs-label-inactive:var(--color-foreground-muted);--sd-color-tabs-underline-active:var(--color-brand-content);--sd-color-tabs-underline-hover:var(--color-foreground-border);--sd-color-tabs-underline-inactive:var(--color-background-border);--sd-color-tabs-overline:var(--color-background-border);--sd-color-tabs-underline:var(--color-background-border)}.sd-tab-content{box-shadow:0 -2px var(--sd-color-tabs-overline),0 1px var(--sd-color-tabs-underline)}.sd-card{box-shadow:0 .1rem .25rem var(--sd-color-shadow),0 0 .0625rem rgba(0,0,0,.1)}.sd-shadow-sm{box-shadow:0 .1rem .25rem var(--sd-color-shadow),0 0 .0625rem rgba(0,0,0,.1)!important}.sd-shadow-md{box-shadow:0 .3rem .75rem var(--sd-color-shadow),0 0 .0625rem rgba(0,0,0,.1)!important}.sd-shadow-lg{box-shadow:0 .6rem 1.5rem var(--sd-color-shadow),0 0 .0625rem rgba(0,0,0,.1)!important}.sd-card-hover:hover{transform:none}.sd-cards-carousel{gap:.25rem;padding:.25rem}body{--tabs--label-text:var(--color-foreground-muted);--tabs--label-text--hover:var(--color-foreground-muted);--tabs--label-text--active:var(--color-brand-content);--tabs--label-text--active--hover:var(--color-brand-content);--tabs--label-background:transparent;--tabs--label-background--hover:transparent;--tabs--label-background--active:transparent;--tabs--label-background--active--hover:transparent;--tabs--padding-x:0.25em;--tabs--margin-x:1em;--tabs--border:var(--color-background-border);--tabs--label-border:transparent;--tabs--label-border--hover:var(--color-foreground-muted);--tabs--label-border--active:var(--color-brand-content);--tabs--label-border--active--hover:var(--color-brand-content)}[role=main] .container{max-width:none;padding-left:0;padding-right:0}.shadow.docutils{border:none;box-shadow:0 .2rem .5rem rgba(0,0,0,.05),0 0 .0625rem rgba(0,0,0,.1)!important}.sphinx-bs .card{background-color:var(--color-background-secondary);color:var(--color-foreground)} +/*# sourceMappingURL=furo-extensions.css.map*/ \ No newline at end of file diff --git a/_static/styles/furo-extensions.css.map b/_static/styles/furo-extensions.css.map new file mode 100644 index 000000000..68fb7fd0d --- /dev/null +++ b/_static/styles/furo-extensions.css.map @@ -0,0 +1 @@ +{"version":3,"file":"styles/furo-extensions.css","mappings":"AAGA,2BACE,oFACA,4CAKE,6CAHA,YACA,eAEA,CACA,kDACE,yCAEF,8CACE,sCAEJ,8CACE,kDAEJ,2BAGE,uBACA,cAHA,gBACA,UAEA,CAGA,yCACE,mBAEF,gDAEE,gDADA,YACA,CACA,sDACE,gDACF,yDACE,sCAEJ,+CACE,UACA,qDACE,UAGF,mDACE,eAEJ,yEAEE,4DAEA,mHASE,mBAPA,kBAEA,YADA,oBAGA,aADA,gBAIA,CAEA,qIAEE,WADA,UACA,CAEJ,uGACE,aAEF,iUAGE,cAEF,mHACE,aC1EJ,gCACE,mCAEF,0BAEE,mBAUA,8CACA,YAFA,mCAKA,eAZA,cAIA,YADA,YAYA,iCAdA,YAcA,CAEA,gCAEE,8CADA,gCACA,CAEF,gCAGE,6BADA,mCADA,YAEA,CAEF,kCAEE,cADA,mBACA,CACA,wCACE,cAEJ,8BACE,UCzCN,KAEE,6CAA8C,CAC9C,uDAAwD,CACxD,uDAAwD,CAGxD,iCAAsC,CAGtC,+CAAgD,CAChD,uDAAwD,CACxD,uDAAwD,CACxD,oDAAqD,CACrD,6DAA8D,CAC9D,6DAA8D,CAG9D,uDAAwD,CACxD,yDAA0D,CAC1D,4DAA6D,CAC7D,2DAA4D,CAC5D,8DAA+D,CAC/D,iEAAkE,CAClE,uDAAwD,CACxD,wDAAyD,CAG3D,gBACE,qFAGF,SACE,6EAEF,cACE,uFAEF,cACE,uFAEF,cACE,uFAGF,qBACE,eAEF,mBACE,WACA,eChDF,KACE,gDAAiD,CACjD,uDAAwD,CACxD,qDAAsD,CACtD,4DAA6D,CAC7D,oCAAqC,CACrC,2CAA4C,CAC5C,4CAA6C,CAC7C,mDAAoD,CACpD,wBAAyB,CACzB,oBAAqB,CACrB,6CAA8C,CAC9C,gCAAiC,CACjC,yDAA0D,CAC1D,uDAAwD,CACxD,8DAA+D,CCbjE,uBACE,eACA,eACA,gBAGF,iBACE,YACA,+EAGF,iBACE,mDACA","sources":["webpack:///./src/furo/assets/styles/extensions/_readthedocs.sass","webpack:///./src/furo/assets/styles/extensions/_copybutton.sass","webpack:///./src/furo/assets/styles/extensions/_sphinx-design.sass","webpack:///./src/furo/assets/styles/extensions/_sphinx-inline-tabs.sass","webpack:///./src/furo/assets/styles/extensions/_sphinx-panels.sass"],"sourcesContent":["// This file contains the styles used for tweaking how ReadTheDoc's embedded\n// contents would show up inside the theme.\n\n#furo-sidebar-ad-placement\n padding: var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal)\n .ethical-sidebar\n // Remove the border and box-shadow.\n border: none\n box-shadow: none\n // Manage the background colors.\n background: var(--color-background-secondary)\n &:hover\n background: var(--color-background-hover)\n // Ensure the text is legible.\n a\n color: var(--color-foreground-primary)\n\n .ethical-callout a\n color: var(--color-foreground-secondary) !important\n\n#furo-readthedocs-versions\n position: static\n width: 100%\n background: transparent\n display: block\n\n // Make the background color fit with the theme's aesthetic.\n .rst-versions\n background: rgb(26, 28, 30)\n\n .rst-current-version\n cursor: unset\n background: var(--color-sidebar-item-background)\n &:hover\n background: var(--color-sidebar-item-background)\n .fa-book\n color: var(--color-foreground-primary)\n\n > .rst-other-versions\n padding: 0\n small\n opacity: 1\n\n .injected\n .rst-versions\n position: unset\n\n &:hover,\n &:focus-within\n box-shadow: 0 0 0 1px var(--color-sidebar-background-border)\n\n .rst-current-version\n // Undo the tweaks done in RTD's CSS\n font-size: inherit\n line-height: inherit\n height: auto\n text-align: right\n padding: 12px\n\n // Match the rest of the body\n background: #1a1c1e\n\n .fa-book\n float: left\n color: white\n\n .fa-caret-down\n display: none\n\n .rst-current-version,\n .rst-other-versions,\n .injected\n display: block\n\n > .rst-current-version\n display: none\n",".highlight\n &:hover button.copybtn\n color: var(--color-code-foreground)\n\n button.copybtn\n // Align things correctly\n align-items: center\n\n height: 1.25em\n width: 1.25em\n\n top: 0.625rem // $code-spacing-vertical\n right: 0.5rem\n\n // Make it look better\n color: var(--color-background-item)\n background-color: var(--color-code-background)\n border: none\n\n // Change to cursor to make it obvious that you can click on it\n cursor: pointer\n\n // Transition smoothly, for aesthetics\n transition: color 300ms, opacity 300ms\n\n &:hover\n color: var(--color-brand-content)\n background-color: var(--color-code-background)\n\n &::after\n display: none\n color: var(--color-code-foreground)\n background-color: transparent\n\n &.success\n transition: color 0ms\n color: #22863a\n &::after\n display: block\n\n svg\n padding: 0\n","body\n // Colors\n --sd-color-primary: var(--color-brand-primary)\n --sd-color-primary-highlight: var(--color-brand-content)\n --sd-color-primary-text: var(--color-background-primary)\n\n // Shadows\n --sd-color-shadow: rgba(0, 0, 0, 0.05)\n\n // Cards\n --sd-color-card-border: var(--color-card-border)\n --sd-color-card-border-hover: var(--color-brand-content)\n --sd-color-card-background: var(--color-card-background)\n --sd-color-card-text: var(--color-foreground-primary)\n --sd-color-card-header: var(--color-card-marginals-background)\n --sd-color-card-footer: var(--color-card-marginals-background)\n\n // Tabs\n --sd-color-tabs-label-active: var(--color-brand-content)\n --sd-color-tabs-label-hover: var(--color-foreground-muted)\n --sd-color-tabs-label-inactive: var(--color-foreground-muted)\n --sd-color-tabs-underline-active: var(--color-brand-content)\n --sd-color-tabs-underline-hover: var(--color-foreground-border)\n --sd-color-tabs-underline-inactive: var(--color-background-border)\n --sd-color-tabs-overline: var(--color-background-border)\n --sd-color-tabs-underline: var(--color-background-border)\n\n// Tabs\n.sd-tab-content\n box-shadow: 0 -2px var(--sd-color-tabs-overline), 0 1px var(--sd-color-tabs-underline)\n\n// Shadows\n.sd-card // Have a shadow by default\n box-shadow: 0 0.1rem 0.25rem var(--sd-color-shadow), 0 0 0.0625rem rgba(0, 0, 0, 0.1)\n\n.sd-shadow-sm\n box-shadow: 0 0.1rem 0.25rem var(--sd-color-shadow), 0 0 0.0625rem rgba(0, 0, 0, 0.1) !important\n\n.sd-shadow-md\n box-shadow: 0 0.3rem 0.75rem var(--sd-color-shadow), 0 0 0.0625rem rgba(0, 0, 0, 0.1) !important\n\n.sd-shadow-lg\n box-shadow: 0 0.6rem 1.5rem var(--sd-color-shadow), 0 0 0.0625rem rgba(0, 0, 0, 0.1) !important\n\n// Cards\n.sd-card-hover:hover // Don't change scale on hover\n transform: none\n\n.sd-cards-carousel // Have a bit of gap in the carousel by default\n gap: 0.25rem\n padding: 0.25rem\n","// This file contains styles to tweak sphinx-inline-tabs to work well with Furo.\n\nbody\n --tabs--label-text: var(--color-foreground-muted)\n --tabs--label-text--hover: var(--color-foreground-muted)\n --tabs--label-text--active: var(--color-brand-content)\n --tabs--label-text--active--hover: var(--color-brand-content)\n --tabs--label-background: transparent\n --tabs--label-background--hover: transparent\n --tabs--label-background--active: transparent\n --tabs--label-background--active--hover: transparent\n --tabs--padding-x: 0.25em\n --tabs--margin-x: 1em\n --tabs--border: var(--color-background-border)\n --tabs--label-border: transparent\n --tabs--label-border--hover: var(--color-foreground-muted)\n --tabs--label-border--active: var(--color-brand-content)\n --tabs--label-border--active--hover: var(--color-brand-content)\n","// This file contains styles to tweak sphinx-panels to work well with Furo.\n\n// sphinx-panels includes Bootstrap 4, which uses .container which can conflict\n// with docutils' `.. container::` directive.\n[role=\"main\"] .container\n max-width: initial\n padding-left: initial\n padding-right: initial\n\n// Make the panels look nicer!\n.shadow.docutils\n border: none\n box-shadow: 0 0.2rem 0.5rem rgba(0, 0, 0, 0.05), 0 0 0.0625rem rgba(0, 0, 0, 0.1) !important\n\n// Make panel colors respond to dark mode\n.sphinx-bs .card\n background-color: var(--color-background-secondary)\n color: var(--color-foreground)\n"],"names":[],"sourceRoot":""} \ No newline at end of file diff --git a/_static/styles/furo.css b/_static/styles/furo.css new file mode 100644 index 000000000..a5b614d2c --- /dev/null +++ b/_static/styles/furo.css @@ -0,0 +1,2 @@ +/*! normalize.css v8.0.1 | MIT License | github.com/necolas/normalize.css */html{line-height:1.15;-webkit-text-size-adjust:100%}body{margin:0}main{display:block}h1{font-size:2em;margin:.67em 0}hr{box-sizing:content-box;height:0;overflow:visible}pre{font-family:monospace,monospace;font-size:1em}a{background-color:transparent}abbr[title]{border-bottom:none;text-decoration:underline;text-decoration:underline dotted}b,strong{font-weight:bolder}code,kbd,samp{font-family:monospace,monospace;font-size:1em}sub,sup{font-size:75%;line-height:0;position:relative;vertical-align:baseline}sub{bottom:-.25em}sup{top:-.5em}img{border-style:none}button,input,optgroup,select,textarea{font-family:inherit;font-size:100%;line-height:1.15;margin:0}button,input{overflow:visible}button,select{text-transform:none}[type=button],[type=reset],[type=submit],button{-webkit-appearance:button}[type=button]::-moz-focus-inner,[type=reset]::-moz-focus-inner,[type=submit]::-moz-focus-inner,button::-moz-focus-inner{border-style:none;padding:0}[type=button]:-moz-focusring,[type=reset]:-moz-focusring,[type=submit]:-moz-focusring,button:-moz-focusring{outline:1px dotted ButtonText}fieldset{padding:.35em .75em .625em}legend{box-sizing:border-box;color:inherit;display:table;max-width:100%;padding:0;white-space:normal}progress{vertical-align:baseline}textarea{overflow:auto}[type=checkbox],[type=radio]{box-sizing:border-box;padding:0}[type=number]::-webkit-inner-spin-button,[type=number]::-webkit-outer-spin-button{height:auto}[type=search]{-webkit-appearance:textfield;outline-offset:-2px}[type=search]::-webkit-search-decoration{-webkit-appearance:none}::-webkit-file-upload-button{-webkit-appearance:button;font:inherit}details{display:block}summary{display:list-item}[hidden],template{display:none}@media print{.content-icon-container,.headerlink,.mobile-header,.related-pages{display:none!important}.highlight{border:.1pt solid var(--color-foreground-border)}a,blockquote,dl,ol,p,pre,table,ul{page-break-inside:avoid}caption,figure,h1,h2,h3,h4,h5,h6,img{page-break-after:avoid;page-break-inside:avoid}dl,ol,ul{page-break-before:avoid}}.visually-hidden{height:1px!important;margin:-1px!important;overflow:hidden!important;padding:0!important;position:absolute!important;width:1px!important;clip:rect(0,0,0,0)!important;background:var(--color-background-primary);border:0!important;color:var(--color-foreground-primary);white-space:nowrap!important}:-moz-focusring{outline:auto}body{--font-stack:-apple-system,BlinkMacSystemFont,Segoe UI,Helvetica,Arial,sans-serif,Apple Color Emoji,Segoe UI Emoji;--font-stack--monospace:"SFMono-Regular",Menlo,Consolas,Monaco,Liberation Mono,Lucida Console,monospace;--font-stack--headings:var(--font-stack);--font-size--normal:100%;--font-size--small:87.5%;--font-size--small--2:81.25%;--font-size--small--3:75%;--font-size--small--4:62.5%;--sidebar-caption-font-size:var(--font-size--small--2);--sidebar-item-font-size:var(--font-size--small);--sidebar-search-input-font-size:var(--font-size--small);--toc-font-size:var(--font-size--small--3);--toc-font-size--mobile:var(--font-size--normal);--toc-title-font-size:var(--font-size--small--4);--admonition-font-size:0.8125rem;--admonition-title-font-size:0.8125rem;--code-font-size:var(--font-size--small--2);--api-font-size:var(--font-size--small);--header-height:calc(var(--sidebar-item-line-height) + var(--sidebar-item-spacing-vertical)*4);--header-padding:0.5rem;--sidebar-tree-space-above:1.5rem;--sidebar-caption-space-above:1rem;--sidebar-item-line-height:1rem;--sidebar-item-spacing-vertical:0.5rem;--sidebar-item-spacing-horizontal:1rem;--sidebar-item-height:calc(var(--sidebar-item-line-height) + var(--sidebar-item-spacing-vertical)*2);--sidebar-expander-width:var(--sidebar-item-height);--sidebar-search-space-above:0.5rem;--sidebar-search-input-spacing-vertical:0.5rem;--sidebar-search-input-spacing-horizontal:0.5rem;--sidebar-search-input-height:1rem;--sidebar-search-icon-size:var(--sidebar-search-input-height);--toc-title-padding:0.25rem 0;--toc-spacing-vertical:1.5rem;--toc-spacing-horizontal:1.5rem;--toc-item-spacing-vertical:0.4rem;--toc-item-spacing-horizontal:1rem;--icon-search:url('data:image/svg+xml;charset=utf-8,');--icon-pencil:url('data:image/svg+xml;charset=utf-8,');--icon-abstract:url('data:image/svg+xml;charset=utf-8,');--icon-info:url('data:image/svg+xml;charset=utf-8,');--icon-flame:url('data:image/svg+xml;charset=utf-8,');--icon-question:url('data:image/svg+xml;charset=utf-8,');--icon-warning:url('data:image/svg+xml;charset=utf-8,');--icon-failure:url('data:image/svg+xml;charset=utf-8,');--icon-spark:url('data:image/svg+xml;charset=utf-8,');--color-admonition-title--caution:#ff9100;--color-admonition-title-background--caution:rgba(255,145,0,.2);--color-admonition-title--warning:#ff9100;--color-admonition-title-background--warning:rgba(255,145,0,.2);--color-admonition-title--danger:#ff5252;--color-admonition-title-background--danger:rgba(255,82,82,.2);--color-admonition-title--attention:#ff5252;--color-admonition-title-background--attention:rgba(255,82,82,.2);--color-admonition-title--error:#ff5252;--color-admonition-title-background--error:rgba(255,82,82,.2);--color-admonition-title--hint:#00c852;--color-admonition-title-background--hint:rgba(0,200,82,.2);--color-admonition-title--tip:#00c852;--color-admonition-title-background--tip:rgba(0,200,82,.2);--color-admonition-title--important:#00bfa5;--color-admonition-title-background--important:rgba(0,191,165,.2);--color-admonition-title--note:#00b0ff;--color-admonition-title-background--note:rgba(0,176,255,.2);--color-admonition-title--seealso:#448aff;--color-admonition-title-background--seealso:rgba(68,138,255,.2);--color-admonition-title--admonition-todo:grey;--color-admonition-title-background--admonition-todo:hsla(0,0%,50%,.2);--color-admonition-title:#651fff;--color-admonition-title-background:rgba(101,31,255,.2);--icon-admonition-default:var(--icon-abstract);--color-topic-title:#14b8a6;--color-topic-title-background:rgba(20,184,166,.2);--icon-topic-default:var(--icon-pencil);--color-problematic:#b30000;--color-foreground-primary:#000;--color-foreground-secondary:#5a5c63;--color-foreground-muted:#6b6f76;--color-foreground-border:#878787;--color-background-primary:#fff;--color-background-secondary:#f8f9fb;--color-background-hover:#efeff4;--color-background-hover--transparent:#efeff400;--color-background-border:#eeebee;--color-background-item:#ccc;--color-announcement-background:#000000dd;--color-announcement-text:#eeebee;--color-brand-primary:#0a4bff;--color-brand-content:#2757dd;--color-brand-visited:#872ee0;--color-api-background:var(--color-background-hover--transparent);--color-api-background-hover:var(--color-background-hover);--color-api-overall:var(--color-foreground-secondary);--color-api-name:var(--color-problematic);--color-api-pre-name:var(--color-problematic);--color-api-paren:var(--color-foreground-secondary);--color-api-keyword:var(--color-foreground-primary);--color-api-added:#21632c;--color-api-added-border:#38a84d;--color-api-changed:#046172;--color-api-changed-border:#06a1bc;--color-api-deprecated:#605706;--color-api-deprecated-border:#f0d90f;--color-api-removed:#b30000;--color-api-removed-border:#ff5c5c;--color-highlight-on-target:#ffc;--color-inline-code-background:var(--color-background-secondary);--color-highlighted-background:#def;--color-highlighted-text:var(--color-foreground-primary);--color-guilabel-background:#ddeeff80;--color-guilabel-border:#bedaf580;--color-guilabel-text:var(--color-foreground-primary);--color-admonition-background:transparent;--color-table-header-background:var(--color-background-secondary);--color-table-border:var(--color-background-border);--color-card-border:var(--color-background-secondary);--color-card-background:transparent;--color-card-marginals-background:var(--color-background-secondary);--color-header-background:var(--color-background-primary);--color-header-border:var(--color-background-border);--color-header-text:var(--color-foreground-primary);--color-sidebar-background:var(--color-background-secondary);--color-sidebar-background-border:var(--color-background-border);--color-sidebar-brand-text:var(--color-foreground-primary);--color-sidebar-caption-text:var(--color-foreground-muted);--color-sidebar-link-text:var(--color-foreground-secondary);--color-sidebar-link-text--top-level:var(--color-brand-primary);--color-sidebar-item-background:var(--color-sidebar-background);--color-sidebar-item-background--current:var( --color-sidebar-item-background );--color-sidebar-item-background--hover:linear-gradient(90deg,var(--color-background-hover--transparent) 0%,var(--color-background-hover) var(--sidebar-item-spacing-horizontal),var(--color-background-hover) 100%);--color-sidebar-item-expander-background:transparent;--color-sidebar-item-expander-background--hover:var( --color-background-hover );--color-sidebar-search-text:var(--color-foreground-primary);--color-sidebar-search-background:var(--color-background-secondary);--color-sidebar-search-background--focus:var(--color-background-primary);--color-sidebar-search-border:var(--color-background-border);--color-sidebar-search-icon:var(--color-foreground-muted);--color-toc-background:var(--color-background-primary);--color-toc-title-text:var(--color-foreground-muted);--color-toc-item-text:var(--color-foreground-secondary);--color-toc-item-text--hover:var(--color-foreground-primary);--color-toc-item-text--active:var(--color-brand-primary);--color-content-foreground:var(--color-foreground-primary);--color-content-background:transparent;--color-link:var(--color-brand-content);--color-link-underline:var(--color-background-border);--color-link--hover:var(--color-brand-content);--color-link-underline--hover:var(--color-foreground-border);--color-link--visited:var(--color-brand-visited);--color-link-underline--visited:var(--color-background-border);--color-link--visited--hover:var(--color-brand-visited);--color-link-underline--visited--hover:var(--color-foreground-border)}.only-light{display:block!important}html body .only-dark{display:none!important}@media not print{body[data-theme=dark]{--color-problematic:#ee5151;--color-foreground-primary:#cfd0d0;--color-foreground-secondary:#9ca0a5;--color-foreground-muted:#81868d;--color-foreground-border:#666;--color-background-primary:#131416;--color-background-secondary:#1a1c1e;--color-background-hover:#1e2124;--color-background-hover--transparent:#1e212400;--color-background-border:#303335;--color-background-item:#444;--color-announcement-background:#000000dd;--color-announcement-text:#eeebee;--color-brand-primary:#3d94ff;--color-brand-content:#5ca5ff;--color-brand-visited:#b27aeb;--color-highlighted-background:#083563;--color-guilabel-background:#08356380;--color-guilabel-border:#13395f80;--color-api-keyword:var(--color-foreground-secondary);--color-highlight-on-target:#330;--color-api-added:#3db854;--color-api-added-border:#267334;--color-api-changed:#09b0ce;--color-api-changed-border:#056d80;--color-api-deprecated:#b1a10b;--color-api-deprecated-border:#6e6407;--color-api-removed:#ff7575;--color-api-removed-border:#b03b3b;--color-admonition-background:#18181a;--color-card-border:var(--color-background-secondary);--color-card-background:#18181a;--color-card-marginals-background:var(--color-background-hover)}html body[data-theme=dark] .only-light{display:none!important}body[data-theme=dark] .only-dark{display:block!important}@media(prefers-color-scheme:dark){body:not([data-theme=light]){--color-problematic:#ee5151;--color-foreground-primary:#cfd0d0;--color-foreground-secondary:#9ca0a5;--color-foreground-muted:#81868d;--color-foreground-border:#666;--color-background-primary:#131416;--color-background-secondary:#1a1c1e;--color-background-hover:#1e2124;--color-background-hover--transparent:#1e212400;--color-background-border:#303335;--color-background-item:#444;--color-announcement-background:#000000dd;--color-announcement-text:#eeebee;--color-brand-primary:#3d94ff;--color-brand-content:#5ca5ff;--color-brand-visited:#b27aeb;--color-highlighted-background:#083563;--color-guilabel-background:#08356380;--color-guilabel-border:#13395f80;--color-api-keyword:var(--color-foreground-secondary);--color-highlight-on-target:#330;--color-api-added:#3db854;--color-api-added-border:#267334;--color-api-changed:#09b0ce;--color-api-changed-border:#056d80;--color-api-deprecated:#b1a10b;--color-api-deprecated-border:#6e6407;--color-api-removed:#ff7575;--color-api-removed-border:#b03b3b;--color-admonition-background:#18181a;--color-card-border:var(--color-background-secondary);--color-card-background:#18181a;--color-card-marginals-background:var(--color-background-hover)}html body:not([data-theme=light]) .only-light{display:none!important}body:not([data-theme=light]) .only-dark{display:block!important}}}body[data-theme=auto] .theme-toggle svg.theme-icon-when-auto-light{display:block}@media(prefers-color-scheme:dark){body[data-theme=auto] .theme-toggle svg.theme-icon-when-auto-dark{display:block}body[data-theme=auto] .theme-toggle svg.theme-icon-when-auto-light{display:none}}body[data-theme=dark] .theme-toggle svg.theme-icon-when-dark,body[data-theme=light] .theme-toggle svg.theme-icon-when-light{display:block}body{font-family:var(--font-stack)}code,kbd,pre,samp{font-family:var(--font-stack--monospace)}body{-webkit-font-smoothing:antialiased;-moz-osx-font-smoothing:grayscale}article{line-height:1.5}h1,h2,h3,h4,h5,h6{border-radius:.5rem;font-family:var(--font-stack--headings);font-weight:700;line-height:1.25;margin:.5rem -.5rem;padding-left:.5rem;padding-right:.5rem}h1+p,h2+p,h3+p,h4+p,h5+p,h6+p{margin-top:0}h1{font-size:2.5em;margin-bottom:1rem}h1,h2{margin-top:1.75rem}h2{font-size:2em}h3{font-size:1.5em}h4{font-size:1.25em}h5{font-size:1.125em}h6{font-size:1em}small{font-size:80%;opacity:75%}p{margin-bottom:.75rem;margin-top:.5rem}hr.docutils{background-color:var(--color-background-border);border:0;height:1px;margin:2rem 0;padding:0}.centered{text-align:center}a{color:var(--color-link);text-decoration:underline;text-decoration-color:var(--color-link-underline)}a:visited{color:var(--color-link--visited);text-decoration-color:var(--color-link-underline--visited)}a:visited:hover{color:var(--color-link--visited--hover);text-decoration-color:var(--color-link-underline--visited--hover)}a:hover{color:var(--color-link--hover);text-decoration-color:var(--color-link-underline--hover)}a.muted-link{color:inherit}a.muted-link:hover{color:var(--color-link--hover);text-decoration-color:var(--color-link-underline--hover)}a.muted-link:hover:visited{color:var(--color-link--visited--hover);text-decoration-color:var(--color-link-underline--visited--hover)}html{overflow-x:hidden;overflow-y:scroll;scroll-behavior:smooth}.sidebar-scroll,.toc-scroll,article[role=main] *{scrollbar-color:var(--color-foreground-border) transparent;scrollbar-width:thin}body,html{height:100%}.skip-to-content,body,html{background:var(--color-background-primary);color:var(--color-foreground-primary)}.skip-to-content{border-radius:1rem;left:.25rem;padding:1rem;position:fixed;top:.25rem;transform:translateY(-200%);transition:transform .3s ease-in-out;z-index:40}.skip-to-content:focus-within{transform:translateY(0)}article{background:var(--color-content-background);color:var(--color-content-foreground);overflow-wrap:break-word}.page{display:flex;min-height:100%}.mobile-header{background-color:var(--color-header-background);border-bottom:1px solid var(--color-header-border);color:var(--color-header-text);display:none;height:var(--header-height);width:100%;z-index:10}.mobile-header.scrolled{border-bottom:none;box-shadow:0 0 .2rem rgba(0,0,0,.1),0 .2rem .4rem rgba(0,0,0,.2)}.mobile-header .header-center a{color:var(--color-header-text);text-decoration:none}.main{display:flex;flex:1}.sidebar-drawer{background:var(--color-sidebar-background);border-right:1px solid var(--color-sidebar-background-border);box-sizing:border-box;display:flex;justify-content:flex-end;min-width:15em;width:calc(50% - 26em)}.sidebar-container,.toc-drawer{box-sizing:border-box;width:15em}.toc-drawer{background:var(--color-toc-background);padding-right:1rem}.sidebar-sticky,.toc-sticky{display:flex;flex-direction:column;height:min(100%,100vh);height:100vh;position:sticky;top:0}.sidebar-scroll,.toc-scroll{flex-grow:1;flex-shrink:1;overflow:auto;scroll-behavior:smooth}.content{display:flex;flex-direction:column;justify-content:space-between;padding:0 3em;width:46em}.icon{display:inline-block;height:1rem;width:1rem}.icon svg{height:100%;width:100%}.announcement{align-items:center;background-color:var(--color-announcement-background);color:var(--color-announcement-text);display:flex;height:var(--header-height);overflow-x:auto}.announcement+.page{min-height:calc(100% - var(--header-height))}.announcement-content{box-sizing:border-box;min-width:100%;padding:.5rem;text-align:center;white-space:nowrap}.announcement-content a{color:var(--color-announcement-text);text-decoration-color:var(--color-announcement-text)}.announcement-content a:hover{color:var(--color-announcement-text);text-decoration-color:var(--color-link--hover)}.no-js .theme-toggle-container{display:none}.theme-toggle-container{display:flex}.theme-toggle{background:transparent;border:none;cursor:pointer;display:flex;padding:0}.theme-toggle svg{color:var(--color-foreground-primary);display:none;height:1.25rem;width:1.25rem}.theme-toggle-header{align-items:center;display:flex;justify-content:center}.nav-overlay-icon,.toc-overlay-icon{cursor:pointer;display:none}.nav-overlay-icon .icon,.toc-overlay-icon .icon{color:var(--color-foreground-secondary);height:1.5rem;width:1.5rem}.nav-overlay-icon,.toc-header-icon{align-items:center;justify-content:center}.toc-content-icon{height:1.5rem;width:1.5rem}.content-icon-container{display:flex;float:right;gap:.5rem;margin-bottom:1rem;margin-left:1rem;margin-top:1.5rem}.content-icon-container .edit-this-page svg,.content-icon-container .view-this-page svg{color:inherit;height:1.25rem;width:1.25rem}.sidebar-toggle{display:none;position:absolute}.sidebar-toggle[name=__toc]{left:20px}.sidebar-toggle:checked{left:40px}.overlay{background-color:rgba(0,0,0,.54);height:0;opacity:0;position:fixed;top:0;transition:width 0s,height 0s,opacity .25s ease-out;width:0}.sidebar-overlay{z-index:20}.toc-overlay{z-index:40}.sidebar-drawer{transition:left .25s ease-in-out;z-index:30}.toc-drawer{transition:right .25s ease-in-out;z-index:50}#__navigation:checked~.sidebar-overlay{height:100%;opacity:1;width:100%}#__navigation:checked~.page .sidebar-drawer{left:0;top:0}#__toc:checked~.toc-overlay{height:100%;opacity:1;width:100%}#__toc:checked~.page .toc-drawer{right:0;top:0}.back-to-top{background:var(--color-background-primary);border-radius:1rem;box-shadow:0 .2rem .5rem rgba(0,0,0,.05),0 0 1px 0 hsla(220,9%,46%,.502);display:none;font-size:.8125rem;left:0;margin-left:50%;padding:.5rem .75rem .5rem .5rem;position:fixed;text-decoration:none;top:1rem;transform:translateX(-50%);z-index:10}.back-to-top svg{height:1rem;width:1rem;fill:currentColor;display:inline-block}.back-to-top span{margin-left:.25rem}.show-back-to-top .back-to-top{align-items:center;display:flex}@media(min-width:97em){html{font-size:110%}}@media(max-width:82em){.toc-content-icon{display:flex}.toc-drawer{border-left:1px solid var(--color-background-muted);height:100vh;position:fixed;right:-15em;top:0}.toc-tree{border-left:none;font-size:var(--toc-font-size--mobile)}.sidebar-drawer{width:calc(50% - 18.5em)}}@media(max-width:67em){.content{margin-left:auto;margin-right:auto;padding:0 1em}}@media(max-width:63em){.nav-overlay-icon{display:flex}.sidebar-drawer{height:100vh;left:-15em;position:fixed;top:0;width:15em}.theme-toggle-header,.toc-header-icon{display:flex}.theme-toggle-content,.toc-content-icon{display:none}.mobile-header{align-items:center;display:flex;justify-content:space-between;position:sticky;top:0}.mobile-header .header-left,.mobile-header .header-right{display:flex;height:var(--header-height);padding:0 var(--header-padding)}.mobile-header .header-left label,.mobile-header .header-right label{height:100%;-webkit-user-select:none;-moz-user-select:none;user-select:none;width:100%}.nav-overlay-icon .icon,.theme-toggle svg{height:1.5rem;width:1.5rem}:target{scroll-margin-top:calc(var(--header-height) + 2.5rem)}.back-to-top{top:calc(var(--header-height) + .5rem)}.page{flex-direction:column;justify-content:center}}@media(max-width:48em){.content{overflow-x:auto;width:100%}}@media(max-width:46em){article[role=main] aside.sidebar{float:none;margin:1rem 0;width:100%}}.admonition,.topic{background:var(--color-admonition-background);border-radius:.2rem;box-shadow:0 .2rem .5rem rgba(0,0,0,.05),0 0 .0625rem rgba(0,0,0,.1);font-size:var(--admonition-font-size);margin:1rem auto;overflow:hidden;padding:0 .5rem .5rem;page-break-inside:avoid}.admonition>:nth-child(2),.topic>:nth-child(2){margin-top:0}.admonition>:last-child,.topic>:last-child{margin-bottom:0}.admonition p.admonition-title,p.topic-title{font-size:var(--admonition-title-font-size);font-weight:500;line-height:1.3;margin:0 -.5rem .5rem;padding:.4rem .5rem .4rem 2rem;position:relative}.admonition p.admonition-title:before,p.topic-title:before{content:"";height:1rem;left:.5rem;position:absolute;width:1rem}p.admonition-title{background-color:var(--color-admonition-title-background)}p.admonition-title:before{background-color:var(--color-admonition-title);-webkit-mask-image:var(--icon-admonition-default);mask-image:var(--icon-admonition-default);-webkit-mask-repeat:no-repeat;mask-repeat:no-repeat}p.topic-title{background-color:var(--color-topic-title-background)}p.topic-title:before{background-color:var(--color-topic-title);-webkit-mask-image:var(--icon-topic-default);mask-image:var(--icon-topic-default);-webkit-mask-repeat:no-repeat;mask-repeat:no-repeat}.admonition{border-left:.2rem solid var(--color-admonition-title)}.admonition.caution{border-left-color:var(--color-admonition-title--caution)}.admonition.caution>.admonition-title{background-color:var(--color-admonition-title-background--caution)}.admonition.caution>.admonition-title:before{background-color:var(--color-admonition-title--caution);-webkit-mask-image:var(--icon-spark);mask-image:var(--icon-spark)}.admonition.warning{border-left-color:var(--color-admonition-title--warning)}.admonition.warning>.admonition-title{background-color:var(--color-admonition-title-background--warning)}.admonition.warning>.admonition-title:before{background-color:var(--color-admonition-title--warning);-webkit-mask-image:var(--icon-warning);mask-image:var(--icon-warning)}.admonition.danger{border-left-color:var(--color-admonition-title--danger)}.admonition.danger>.admonition-title{background-color:var(--color-admonition-title-background--danger)}.admonition.danger>.admonition-title:before{background-color:var(--color-admonition-title--danger);-webkit-mask-image:var(--icon-spark);mask-image:var(--icon-spark)}.admonition.attention{border-left-color:var(--color-admonition-title--attention)}.admonition.attention>.admonition-title{background-color:var(--color-admonition-title-background--attention)}.admonition.attention>.admonition-title:before{background-color:var(--color-admonition-title--attention);-webkit-mask-image:var(--icon-warning);mask-image:var(--icon-warning)}.admonition.error{border-left-color:var(--color-admonition-title--error)}.admonition.error>.admonition-title{background-color:var(--color-admonition-title-background--error)}.admonition.error>.admonition-title:before{background-color:var(--color-admonition-title--error);-webkit-mask-image:var(--icon-failure);mask-image:var(--icon-failure)}.admonition.hint{border-left-color:var(--color-admonition-title--hint)}.admonition.hint>.admonition-title{background-color:var(--color-admonition-title-background--hint)}.admonition.hint>.admonition-title:before{background-color:var(--color-admonition-title--hint);-webkit-mask-image:var(--icon-question);mask-image:var(--icon-question)}.admonition.tip{border-left-color:var(--color-admonition-title--tip)}.admonition.tip>.admonition-title{background-color:var(--color-admonition-title-background--tip)}.admonition.tip>.admonition-title:before{background-color:var(--color-admonition-title--tip);-webkit-mask-image:var(--icon-info);mask-image:var(--icon-info)}.admonition.important{border-left-color:var(--color-admonition-title--important)}.admonition.important>.admonition-title{background-color:var(--color-admonition-title-background--important)}.admonition.important>.admonition-title:before{background-color:var(--color-admonition-title--important);-webkit-mask-image:var(--icon-flame);mask-image:var(--icon-flame)}.admonition.note{border-left-color:var(--color-admonition-title--note)}.admonition.note>.admonition-title{background-color:var(--color-admonition-title-background--note)}.admonition.note>.admonition-title:before{background-color:var(--color-admonition-title--note);-webkit-mask-image:var(--icon-pencil);mask-image:var(--icon-pencil)}.admonition.seealso{border-left-color:var(--color-admonition-title--seealso)}.admonition.seealso>.admonition-title{background-color:var(--color-admonition-title-background--seealso)}.admonition.seealso>.admonition-title:before{background-color:var(--color-admonition-title--seealso);-webkit-mask-image:var(--icon-info);mask-image:var(--icon-info)}.admonition.admonition-todo{border-left-color:var(--color-admonition-title--admonition-todo)}.admonition.admonition-todo>.admonition-title{background-color:var(--color-admonition-title-background--admonition-todo)}.admonition.admonition-todo>.admonition-title:before{background-color:var(--color-admonition-title--admonition-todo);-webkit-mask-image:var(--icon-pencil);mask-image:var(--icon-pencil)}.admonition-todo>.admonition-title{text-transform:uppercase}dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) dd{margin-left:2rem}dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) dd>:first-child{margin-top:.125rem}dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) .field-list,dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) dd>:last-child{margin-bottom:.75rem}dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) .field-list>dt{font-size:var(--font-size--small);text-transform:uppercase}dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) .field-list dd:empty{margin-bottom:.5rem}dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) .field-list dd>ul{margin-left:-1.2rem}dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) .field-list dd>ul>li>p:nth-child(2){margin-top:0}dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) .field-list dd>ul>li>p+p:last-child:empty{margin-bottom:0;margin-top:0}dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple)>dt{color:var(--color-api-overall)}.sig:not(.sig-inline){background:var(--color-api-background);border-radius:.25rem;font-family:var(--font-stack--monospace);font-size:var(--api-font-size);font-weight:700;margin-left:-.25rem;margin-right:-.25rem;padding:.25rem .5rem .25rem 3em;text-indent:-2.5em;transition:background .1s ease-out}.sig:not(.sig-inline):hover{background:var(--color-api-background-hover)}.sig:not(.sig-inline) a.reference .viewcode-link{font-weight:400;width:4.25rem}em.property,span.property{font-style:normal}em.property:first-child,span.property:first-child{color:var(--color-api-keyword)}.sig-name{color:var(--color-api-name)}.sig-prename{color:var(--color-api-pre-name);font-weight:400}.sig-paren{color:var(--color-api-paren)}.sig-param{font-style:normal}div.deprecated,div.versionadded,div.versionchanged,div.versionremoved{border-left:.1875rem solid;border-radius:.125rem;padding-left:.75rem}div.deprecated p,div.versionadded p,div.versionchanged p,div.versionremoved p{margin-bottom:.125rem;margin-top:.125rem}div.versionadded{border-color:var(--color-api-added-border)}div.versionadded .versionmodified{color:var(--color-api-added)}div.versionchanged{border-color:var(--color-api-changed-border)}div.versionchanged .versionmodified{color:var(--color-api-changed)}div.deprecated{border-color:var(--color-api-deprecated-border)}div.deprecated .versionmodified{color:var(--color-api-deprecated)}div.versionremoved{border-color:var(--color-api-removed-border)}div.versionremoved .versionmodified{color:var(--color-api-removed)}.viewcode-back,.viewcode-link{float:right;text-align:right}.line-block{margin-bottom:.75rem;margin-top:.5rem}.line-block .line-block{margin-bottom:0;margin-top:0;padding-left:1rem}.code-block-caption,article p.caption,table>caption{font-size:var(--font-size--small);text-align:center}.toctree-wrapper.compound .caption,.toctree-wrapper.compound :not(.caption)>.caption-text{font-size:var(--font-size--small);margin-bottom:0;text-align:initial;text-transform:uppercase}.toctree-wrapper.compound>ul{margin-bottom:0;margin-top:0}.sig-inline,code.literal{background:var(--color-inline-code-background);border-radius:.2em;font-size:var(--font-size--small--2);padding:.1em .2em}pre.literal-block .sig-inline,pre.literal-block code.literal{font-size:inherit;padding:0}p .sig-inline,p code.literal{border:1px solid var(--color-background-border)}.sig-inline{font-family:var(--font-stack--monospace)}div[class*=" highlight-"],div[class^=highlight-]{display:flex;margin:1em 0}div[class*=" highlight-"] .table-wrapper,div[class^=highlight-] .table-wrapper,pre{margin:0;padding:0}pre{overflow:auto}article[role=main] .highlight pre{line-height:1.5}.highlight pre,pre.literal-block{font-size:var(--code-font-size);padding:.625rem .875rem}pre.literal-block{background-color:var(--color-code-background);border-radius:.2rem;color:var(--color-code-foreground);margin-bottom:1rem;margin-top:1rem}.highlight{border-radius:.2rem;width:100%}.highlight .gp,.highlight span.linenos{pointer-events:none;-webkit-user-select:none;-moz-user-select:none;user-select:none}.highlight .hll{display:block;margin-left:-.875rem;margin-right:-.875rem;padding-left:.875rem;padding-right:.875rem}.code-block-caption{background-color:var(--color-code-background);border-bottom:1px solid;border-radius:.25rem;border-bottom-left-radius:0;border-bottom-right-radius:0;border-color:var(--color-background-border);color:var(--color-code-foreground);display:flex;font-weight:300;padding:.625rem .875rem}.code-block-caption+div[class]{margin-top:0}.code-block-caption+div[class]>.highlight{border-top-left-radius:0;border-top-right-radius:0}.highlighttable{display:block;width:100%}.highlighttable tbody{display:block}.highlighttable tr{display:flex}.highlighttable td.linenos{background-color:var(--color-code-background);border-bottom-left-radius:.2rem;border-top-left-radius:.2rem;color:var(--color-code-foreground);padding:.625rem 0 .625rem .875rem}.highlighttable .linenodiv{box-shadow:-.0625rem 0 var(--color-foreground-border) inset;font-size:var(--code-font-size);padding-right:.875rem}.highlighttable td.code{display:block;flex:1;overflow:hidden;padding:0}.highlighttable td.code .highlight{border-bottom-left-radius:0;border-top-left-radius:0}.highlight span.linenos{box-shadow:-.0625rem 0 var(--color-foreground-border) inset;display:inline-block;margin-right:.875rem;padding-left:0;padding-right:.875rem}.footnote-reference{font-size:var(--font-size--small--4);vertical-align:super}dl.footnote.brackets{color:var(--color-foreground-secondary);display:grid;font-size:var(--font-size--small);grid-template-columns:max-content auto}dl.footnote.brackets dt{margin:0}dl.footnote.brackets dt>.fn-backref{margin-left:.25rem}dl.footnote.brackets dt:after{content:":"}dl.footnote.brackets dt .brackets:before{content:"["}dl.footnote.brackets dt .brackets:after{content:"]"}dl.footnote.brackets dd{margin:0;padding:0 1rem}aside.footnote{color:var(--color-foreground-secondary);font-size:var(--font-size--small)}aside.footnote>span,div.citation>span{float:left;font-weight:500;padding-right:.25rem}aside.footnote>:not(span),div.citation>p{margin-left:2rem}img{box-sizing:border-box;height:auto;max-width:100%}article .figure,article figure{border-radius:.2rem;margin:0}article .figure :last-child,article figure :last-child{margin-bottom:0}article .align-left{clear:left;float:left;margin:0 1rem 1rem}article .align-right{clear:right;float:right;margin:0 1rem 1rem}article .align-center,article .align-default{display:block;margin-left:auto;margin-right:auto;text-align:center}article table.align-default{display:table;text-align:initial}.domainindex-jumpbox,.genindex-jumpbox{border-bottom:1px solid var(--color-background-border);border-top:1px solid var(--color-background-border);padding:.25rem}.domainindex-section h2,.genindex-section h2{margin-bottom:.5rem;margin-top:.75rem}.domainindex-section ul,.genindex-section ul{margin-bottom:0;margin-top:0}ol,ul{margin-bottom:1rem;margin-top:1rem;padding-left:1.2rem}ol li>p:first-child,ul li>p:first-child{margin-bottom:.25rem;margin-top:.25rem}ol li>p:last-child,ul li>p:last-child{margin-top:.25rem}ol li>ol,ol li>ul,ul li>ol,ul li>ul{margin-bottom:.5rem;margin-top:.5rem}ol.arabic{list-style:decimal}ol.loweralpha{list-style:lower-alpha}ol.upperalpha{list-style:upper-alpha}ol.lowerroman{list-style:lower-roman}ol.upperroman{list-style:upper-roman}.simple li>ol,.simple li>ul,.toctree-wrapper li>ol,.toctree-wrapper li>ul{margin-bottom:0;margin-top:0}.field-list dt,.option-list dt,dl.footnote dt,dl.glossary dt,dl.simple dt,dl:not([class]) dt{font-weight:500;margin-top:.25rem}.field-list dt+dt,.option-list dt+dt,dl.footnote dt+dt,dl.glossary dt+dt,dl.simple dt+dt,dl:not([class]) dt+dt{margin-top:0}.field-list dt .classifier:before,.option-list dt .classifier:before,dl.footnote dt .classifier:before,dl.glossary dt .classifier:before,dl.simple dt .classifier:before,dl:not([class]) dt .classifier:before{content:":";margin-left:.2rem;margin-right:.2rem}.field-list dd ul,.field-list dd>p:first-child,.option-list dd ul,.option-list dd>p:first-child,dl.footnote dd ul,dl.footnote dd>p:first-child,dl.glossary dd ul,dl.glossary dd>p:first-child,dl.simple dd ul,dl.simple dd>p:first-child,dl:not([class]) dd ul,dl:not([class]) dd>p:first-child{margin-top:.125rem}.field-list dd ul,.option-list dd ul,dl.footnote dd ul,dl.glossary dd ul,dl.simple dd ul,dl:not([class]) dd ul{margin-bottom:.125rem}.math-wrapper{overflow-x:auto;width:100%}div.math{position:relative;text-align:center}div.math .headerlink,div.math:focus .headerlink{display:none}div.math:hover .headerlink{display:inline-block}div.math span.eqno{position:absolute;right:.5rem;top:50%;transform:translateY(-50%);z-index:1}abbr[title]{cursor:help}.problematic{color:var(--color-problematic)}kbd:not(.compound){background-color:var(--color-background-secondary);border:1px solid var(--color-foreground-border);border-radius:.2rem;box-shadow:0 .0625rem 0 rgba(0,0,0,.2),inset 0 0 0 .125rem var(--color-background-primary);color:var(--color-foreground-primary);display:inline-block;font-size:var(--font-size--small--3);margin:0 .2rem;padding:0 .2rem;vertical-align:text-bottom}blockquote{background:var(--color-background-secondary);border-left:4px solid var(--color-background-border);margin-left:0;margin-right:0;padding:.5rem 1rem}blockquote .attribution{font-weight:600;text-align:right}blockquote.highlights,blockquote.pull-quote{font-size:1.25em}blockquote.epigraph,blockquote.pull-quote{border-left-width:0;border-radius:.5rem}blockquote.highlights{background:transparent;border-left-width:0}p .reference img{vertical-align:middle}p.rubric{font-size:1.125em;font-weight:700;line-height:1.25}dd p.rubric{font-size:var(--font-size--small);font-weight:inherit;line-height:inherit;text-transform:uppercase}article .sidebar{background-color:var(--color-background-secondary);border:1px solid var(--color-background-border);border-radius:.2rem;clear:right;float:right;margin-left:1rem;margin-right:0;width:30%}article .sidebar>*{padding-left:1rem;padding-right:1rem}article .sidebar>ol,article .sidebar>ul{padding-left:2.2rem}article .sidebar .sidebar-title{border-bottom:1px solid var(--color-background-border);font-weight:500;margin:0;padding:.5rem 1rem}[role=main] .table-wrapper.container{margin-bottom:.5rem;margin-top:1rem;overflow-x:auto;padding:.2rem .2rem .75rem;width:100%}table.docutils{border-collapse:collapse;border-radius:.2rem;border-spacing:0;box-shadow:0 .2rem .5rem rgba(0,0,0,.05),0 0 .0625rem rgba(0,0,0,.1)}table.docutils th{background:var(--color-table-header-background)}table.docutils td,table.docutils th{border-bottom:1px solid var(--color-table-border);border-left:1px solid var(--color-table-border);border-right:1px solid var(--color-table-border);padding:0 .25rem}table.docutils td p,table.docutils th p{margin:.25rem}table.docutils td:first-child,table.docutils th:first-child{border-left:none}table.docutils td:last-child,table.docutils th:last-child{border-right:none}table.docutils td.text-left,table.docutils th.text-left{text-align:left}table.docutils td.text-right,table.docutils th.text-right{text-align:right}table.docutils td.text-center,table.docutils th.text-center{text-align:center}:target{scroll-margin-top:2.5rem}@media(max-width:67em){:target{scroll-margin-top:calc(2.5rem + var(--header-height))}section>span:target{scroll-margin-top:calc(2.8rem + var(--header-height))}}.headerlink{font-weight:100;-webkit-user-select:none;-moz-user-select:none;user-select:none}.code-block-caption>.headerlink,dl dt>.headerlink,figcaption p>.headerlink,h1>.headerlink,h2>.headerlink,h3>.headerlink,h4>.headerlink,h5>.headerlink,h6>.headerlink,p.caption>.headerlink,table>caption>.headerlink{margin-left:.5rem;visibility:hidden}.code-block-caption:hover>.headerlink,dl dt:hover>.headerlink,figcaption p:hover>.headerlink,h1:hover>.headerlink,h2:hover>.headerlink,h3:hover>.headerlink,h4:hover>.headerlink,h5:hover>.headerlink,h6:hover>.headerlink,p.caption:hover>.headerlink,table>caption:hover>.headerlink{visibility:visible}.code-block-caption>.toc-backref,dl dt>.toc-backref,figcaption p>.toc-backref,h1>.toc-backref,h2>.toc-backref,h3>.toc-backref,h4>.toc-backref,h5>.toc-backref,h6>.toc-backref,p.caption>.toc-backref,table>caption>.toc-backref{color:inherit;text-decoration-line:none}figure:hover>figcaption>p>.headerlink,table:hover>caption>.headerlink{visibility:visible}:target>h1:first-of-type,:target>h2:first-of-type,:target>h3:first-of-type,:target>h4:first-of-type,:target>h5:first-of-type,:target>h6:first-of-type,span:target~h1:first-of-type,span:target~h2:first-of-type,span:target~h3:first-of-type,span:target~h4:first-of-type,span:target~h5:first-of-type,span:target~h6:first-of-type{background-color:var(--color-highlight-on-target)}:target>h1:first-of-type code.literal,:target>h2:first-of-type code.literal,:target>h3:first-of-type code.literal,:target>h4:first-of-type code.literal,:target>h5:first-of-type code.literal,:target>h6:first-of-type code.literal,span:target~h1:first-of-type code.literal,span:target~h2:first-of-type code.literal,span:target~h3:first-of-type code.literal,span:target~h4:first-of-type code.literal,span:target~h5:first-of-type code.literal,span:target~h6:first-of-type code.literal{background-color:transparent}.literal-block-wrapper:target .code-block-caption,.this-will-duplicate-information-and-it-is-still-useful-here li :target,figure:target,table:target>caption{background-color:var(--color-highlight-on-target)}dt:target{background-color:var(--color-highlight-on-target)!important}.footnote-reference:target,.footnote>dt:target+dd{background-color:var(--color-highlight-on-target)}.guilabel{background-color:var(--color-guilabel-background);border:1px solid var(--color-guilabel-border);border-radius:.5em;color:var(--color-guilabel-text);font-size:.9em;padding:0 .3em}footer{display:flex;flex-direction:column;font-size:var(--font-size--small);margin-top:2rem}.bottom-of-page{align-items:center;border-top:1px solid var(--color-background-border);color:var(--color-foreground-secondary);display:flex;justify-content:space-between;line-height:1.5;margin-top:1rem;padding-bottom:1rem;padding-top:1rem}@media(max-width:46em){.bottom-of-page{flex-direction:column-reverse;gap:.25rem;text-align:center}}.bottom-of-page .left-details{font-size:var(--font-size--small)}.bottom-of-page .right-details{display:flex;flex-direction:column;gap:.25rem;text-align:right}.bottom-of-page .icons{display:flex;font-size:1rem;gap:.25rem;justify-content:flex-end}.bottom-of-page .icons a{text-decoration:none}.bottom-of-page .icons img,.bottom-of-page .icons svg{font-size:1.125rem;height:1em;width:1em}.related-pages a{align-items:center;display:flex;text-decoration:none}.related-pages a:hover .page-info .title{color:var(--color-link);text-decoration:underline;text-decoration-color:var(--color-link-underline)}.related-pages a svg.furo-related-icon,.related-pages a svg.furo-related-icon>use{color:var(--color-foreground-border);flex-shrink:0;height:.75rem;margin:0 .5rem;width:.75rem}.related-pages a.next-page{clear:right;float:right;max-width:50%;text-align:right}.related-pages a.prev-page{clear:left;float:left;max-width:50%}.related-pages a.prev-page svg{transform:rotate(180deg)}.page-info{display:flex;flex-direction:column;overflow-wrap:anywhere}.next-page .page-info{align-items:flex-end}.page-info .context{align-items:center;color:var(--color-foreground-muted);display:flex;font-size:var(--font-size--small);padding-bottom:.1rem;text-decoration:none}ul.search{list-style:none;padding-left:0}ul.search li{border-bottom:1px solid var(--color-background-border);padding:1rem 0}[role=main] .highlighted{background-color:var(--color-highlighted-background);color:var(--color-highlighted-text)}.sidebar-brand{display:flex;flex-direction:column;flex-shrink:0;padding:var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal);text-decoration:none}.sidebar-brand-text{color:var(--color-sidebar-brand-text);font-size:1.5rem;overflow-wrap:break-word}.sidebar-brand-text,.sidebar-logo-container{margin:var(--sidebar-item-spacing-vertical) 0}.sidebar-logo{display:block;margin:0 auto;max-width:100%}.sidebar-search-container{align-items:center;background:var(--color-sidebar-search-background);display:flex;margin-top:var(--sidebar-search-space-above);position:relative}.sidebar-search-container:focus-within,.sidebar-search-container:hover{background:var(--color-sidebar-search-background--focus)}.sidebar-search-container:before{background-color:var(--color-sidebar-search-icon);content:"";height:var(--sidebar-search-icon-size);left:var(--sidebar-item-spacing-horizontal);-webkit-mask-image:var(--icon-search);mask-image:var(--icon-search);position:absolute;width:var(--sidebar-search-icon-size)}.sidebar-search{background:transparent;border:none;border-bottom:1px solid var(--color-sidebar-search-border);border-top:1px solid var(--color-sidebar-search-border);box-sizing:border-box;color:var(--color-sidebar-search-foreground);padding:var(--sidebar-search-input-spacing-vertical) var(--sidebar-search-input-spacing-horizontal) var(--sidebar-search-input-spacing-vertical) calc(var(--sidebar-item-spacing-horizontal) + var(--sidebar-search-input-spacing-horizontal) + var(--sidebar-search-icon-size));width:100%;z-index:10}.sidebar-search:focus{outline:none}.sidebar-search::-moz-placeholder{font-size:var(--sidebar-search-input-font-size)}.sidebar-search::placeholder{font-size:var(--sidebar-search-input-font-size)}#searchbox .highlight-link{margin:0;padding:var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal) 0;text-align:center}#searchbox .highlight-link a{color:var(--color-sidebar-search-icon);font-size:var(--font-size--small--2)}.sidebar-tree{font-size:var(--sidebar-item-font-size);margin-bottom:var(--sidebar-item-spacing-vertical);margin-top:var(--sidebar-tree-space-above)}.sidebar-tree ul{display:flex;flex-direction:column;list-style:none;margin-bottom:0;margin-top:0;padding:0}.sidebar-tree li{margin:0;position:relative}.sidebar-tree li>ul{margin-left:var(--sidebar-item-spacing-horizontal)}.sidebar-tree .icon,.sidebar-tree .reference{color:var(--color-sidebar-link-text)}.sidebar-tree .reference{box-sizing:border-box;display:inline-block;height:100%;line-height:var(--sidebar-item-line-height);overflow-wrap:anywhere;padding:var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal);text-decoration:none;width:100%}.sidebar-tree .reference:hover{background:var(--color-sidebar-item-background--hover);color:var(--color-sidebar-link-text)}.sidebar-tree .reference.external:after{color:var(--color-sidebar-link-text);content:url("data:image/svg+xml;charset=utf-8,%3Csvg xmlns='http://www.w3.org/2000/svg' width='12' height='12' fill='none' stroke='%23607d8b' stroke-linecap='round' stroke-linejoin='round' stroke-width='1.5' viewBox='0 0 24 24'%3E%3Cpath stroke='none' d='M0 0h24v24H0z'/%3E%3Cpath d='M11 7H6a2 2 0 0 0-2 2v9a2 2 0 0 0 2 2h9a2 2 0 0 0 2-2v-5M10 14 20 4M15 4h5v5'/%3E%3C/svg%3E");margin:0 .25rem;vertical-align:middle}.sidebar-tree .current-page>.reference{font-weight:700}.sidebar-tree label{align-items:center;cursor:pointer;display:flex;height:var(--sidebar-item-height);justify-content:center;position:absolute;right:0;top:0;-webkit-user-select:none;-moz-user-select:none;user-select:none;width:var(--sidebar-expander-width)}.sidebar-tree .caption,.sidebar-tree :not(.caption)>.caption-text{color:var(--color-sidebar-caption-text);font-size:var(--sidebar-caption-font-size);font-weight:700;margin:var(--sidebar-caption-space-above) 0 0 0;padding:var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal);text-transform:uppercase}.sidebar-tree li.has-children>.reference{padding-right:var(--sidebar-expander-width)}.sidebar-tree .toctree-l1>.reference,.sidebar-tree .toctree-l1>label .icon{color:var(--color-sidebar-link-text--top-level)}.sidebar-tree label{background:var(--color-sidebar-item-expander-background)}.sidebar-tree label:hover{background:var(--color-sidebar-item-expander-background--hover)}.sidebar-tree .current>.reference{background:var(--color-sidebar-item-background--current)}.sidebar-tree .current>.reference:hover{background:var(--color-sidebar-item-background--hover)}.toctree-checkbox{display:none;position:absolute}.toctree-checkbox~ul{display:none}.toctree-checkbox~label .icon svg{transform:rotate(90deg)}.toctree-checkbox:checked~ul{display:block}.toctree-checkbox:checked~label .icon svg{transform:rotate(-90deg)}.toc-title-container{padding:var(--toc-title-padding);padding-top:var(--toc-spacing-vertical)}.toc-title{color:var(--color-toc-title-text);font-size:var(--toc-title-font-size);padding-left:var(--toc-spacing-horizontal);text-transform:uppercase}.no-toc{display:none}.toc-tree-container{padding-bottom:var(--toc-spacing-vertical)}.toc-tree{border-left:1px solid var(--color-background-border);font-size:var(--toc-font-size);line-height:1.3;padding-left:calc(var(--toc-spacing-horizontal) - var(--toc-item-spacing-horizontal))}.toc-tree>ul>li:first-child{padding-top:0}.toc-tree>ul>li:first-child>ul{padding-left:0}.toc-tree>ul>li:first-child>a{display:none}.toc-tree ul{list-style-type:none;margin-bottom:0;margin-top:0;padding-left:var(--toc-item-spacing-horizontal)}.toc-tree li{padding-top:var(--toc-item-spacing-vertical)}.toc-tree li.scroll-current>.reference{color:var(--color-toc-item-text--active);font-weight:700}.toc-tree a.reference{color:var(--color-toc-item-text);overflow-wrap:anywhere;text-decoration:none}.toc-scroll{max-height:100vh;overflow-y:scroll}.contents:not(.this-will-duplicate-information-and-it-is-still-useful-here){background:rgba(255,0,0,.25);color:var(--color-problematic)}.contents:not(.this-will-duplicate-information-and-it-is-still-useful-here):before{content:"ERROR: Adding a table of contents in Furo-based documentation is unnecessary, and does not work well with existing styling. Add a 'this-will-duplicate-information-and-it-is-still-useful-here' class, if you want an escape hatch."}.text-align\:left>p{text-align:left}.text-align\:center>p{text-align:center}.text-align\:right>p{text-align:right} +/*# sourceMappingURL=furo.css.map*/ \ No newline at end of file diff --git a/_static/styles/furo.css.map b/_static/styles/furo.css.map new file mode 100644 index 000000000..db1dec165 --- /dev/null +++ b/_static/styles/furo.css.map @@ -0,0 +1 @@ +{"version":3,"file":"styles/furo.css","mappings":"AAAA,2EAA2E,CAU3E,KACE,gBAAiB,CACjB,6BACF,CASA,KACE,QACF,CAMA,KACE,aACF,CAOA,GACE,aAAc,CACd,cACF,CAUA,GACE,sBAAuB,CACvB,QAAS,CACT,gBACF,CAOA,IACE,+BAAiC,CACjC,aACF,CASA,EACE,4BACF,CAOA,YACE,kBAAmB,CACnB,yBAA0B,CAC1B,gCACF,CAMA,SAEE,kBACF,CAOA,cAGE,+BAAiC,CACjC,aACF,CAeA,QAEE,aAAc,CACd,aAAc,CACd,iBAAkB,CAClB,uBACF,CAEA,IACE,aACF,CAEA,IACE,SACF,CASA,IACE,iBACF,CAUA,sCAKE,mBAAoB,CACpB,cAAe,CACf,gBAAiB,CACjB,QACF,CAOA,aAEE,gBACF,CAOA,cAEE,mBACF,CAMA,gDAIE,yBACF,CAMA,wHAIE,iBAAkB,CAClB,SACF,CAMA,4GAIE,6BACF,CAMA,SACE,0BACF,CASA,OACE,qBAAsB,CACtB,aAAc,CACd,aAAc,CACd,cAAe,CACf,SAAU,CACV,kBACF,CAMA,SACE,uBACF,CAMA,SACE,aACF,CAOA,6BAEE,qBAAsB,CACtB,SACF,CAMA,kFAEE,WACF,CAOA,cACE,4BAA6B,CAC7B,mBACF,CAMA,yCACE,uBACF,CAOA,6BACE,yBAA0B,CAC1B,YACF,CASA,QACE,aACF,CAMA,QACE,iBACF,CAiBA,kBACE,YACF,CCvVA,aAcE,kEACE,uBAOF,WACE,iDAMF,kCACE,wBAEF,qCAEE,uBADA,uBACA,CAEF,SACE,wBAtBA,CCpBJ,iBAGE,qBAEA,sBACA,0BAFA,oBAHA,4BACA,oBAKA,6BAIA,2CAFA,mBACA,sCAFA,4BAGA,CAEF,gBACE,aCPF,KCCE,mHAGA,wGAGA,wCAAyC,CAEzC,wBAAyB,CACzB,wBAAyB,CACzB,4BAA6B,CAC7B,yBAA0B,CAC1B,2BAA4B,CAG5B,sDAAuD,CACvD,gDAAiD,CACjD,wDAAyD,CAGzD,0CAA2C,CAC3C,gDAAiD,CACjD,gDAAiD,CAKjD,gCAAiC,CACjC,sCAAuC,CAGvC,2CAA4C,CAG5C,uCAAwC,CCnCxC,+FAIA,uBAAwB,CAGxB,iCAAkC,CAClC,kCAAmC,CAEnC,+BAAgC,CAChC,sCAAuC,CACvC,sCAAuC,CACvC,qGAIA,mDAAoD,CAEpD,mCAAoC,CACpC,8CAA+C,CAC/C,gDAAiD,CACjD,kCAAmC,CACnC,6DAA8D,CAG9D,6BAA8B,CAC9B,6BAA8B,CAC9B,+BAAgC,CAChC,kCAAmC,CACnC,kCAAmC,CCRjC,+jBCaA,iqCAZF,iaCXA,8KAOA,4SAWA,4SAUA,0CACA,gEAGA,0CAGA,gEAGA,yCACA,+DAIA,4CACA,kEAGA,wCAUA,8DACA,uCAGA,4DACA,sCACA,2DAGA,4CACA,kEACA,uCAGA,6DACA,2GAGA,sHAEA,yFAEA,+CACA,+EAGA,4MAOA,gCACA,sHAIA,kCACA,uEACA,gEACA,4DACA,kEAGA,2DACA,sDACA,0CACA,8CACA,wGAGA,0BACA,iCAGA,+DACA,+BACA,sCACA,+DAEA,kGACA,oCACA,yDACA,sCL3HF,kCAEA,sDAIA,0CKyHE,kEAIA,oDACA,sDAGA,oCACA,oEAEA,0DACA,qDAIA,oDACA,6DAIA,iEAIA,2DAIA,2DAGA,4DACA,gEAIA,gEAEA,gFAEA,oNASA,qDLtKE,gFAGE,4DAIF,oEKgHF,yEAEA,6DAGA,0DAEA,uDACA,qDACA,wDAIA,6DAIA,yDACA,2DAIA,uCAGA,wCACA,sDAGA,+CAGA,6DAEA,iDACA,+DAEA,wDAEA,sEAMA,0DACA,sBACA,mEL5JI,wEAEA,iCACE,+BAMN,wEAGA,iCACE,kFAEA,uEAIF,gEACE,8BAGF,qEMzDA,sCAKA,wFAKA,iCAIA,0BAWA,iCACA,4BACA,mCAGA,+BAEA,sCACA,4BAEA,mCAEA,sCAKA,sDAIA,gCAEA,gEAQF,wCAME,sBACA,kCAKA,uBAEA,gEAIA,2BAIA,mCAEA,qCACA,iCAGE,+BACA,wEAEE,iCACA,kFAGF,6BACA,0CACF,kCAEE,8BACE,8BACA,qEAEE,sCACA,wFClFN,iCAGF,2DACE,4BACA,oCAKF,8BAGE,sCACA,+DAIA,sCAEA,sDAGA,gCACA,gEAGA,+CAEA,sBACE,yCAGF,uBACA,sEAIA,aAEA,mCAIA,kEACA,aACA,oEACA,YAIA,EAQE,4HAGA,gDACE,mBACA,wCAON,wCAGE,0DACA,mBAKA,mBACA,CANA,uCAKA,iBALA,iBAWA,mBAGF,mBACE,mDAIF,+BAEE,CAEA,yBAFA,kBAMA,CAJA,GACA,aAGA,mBAEF,wBAEE,iBACA,iBAEA,OACA,aAGF,CAHE,WAGF,GAEE,oBAEA,CAJF,gBAIE,aAEA,+CAKA,UANA,WACA,cADA,SAMA,WACA,iBAEE,GAMF,wBANE,yBAMF,kDACA,WAEA,gCACA,2DAGA,iBACE,uCAEJ,kEAIE,uCAGA,yDACE,cACA,+DAEA,yDAEE,mEAMJ,kEAMA,uBACA,kBAEA,uBACA,kDAKA,0DAIA,CALA,oBAKA,WACA,WAQA,4BAFF,0CAEE,CARA,qCAsBA,CAdA,iBAEA,kBACE,aADF,4BACE,WAMF,2BAGF,qCAEE,CAXE,UAWF,+BAGA,uBAEA,SAEA,0CAIE,CANF,qCAEA,CAIE,2DACE,gBAIN,+CAIA,CAEA,kDAKE,CAPF,8BAEA,CAOE,YACA,CAjBI,2BAGN,CAHM,WAcJ,UAGA,CAEA,2GAIF,iCAGE,8BAIA,qBACA,oBACF,uBAOI,0CAIA,CATF,6DAKE,CALF,sBASE,qCAKF,CACE,cACA,CAFF,sBAEE,CACA,+BAEA,qBAEE,WAKN,aACE,sCAGA,mBAEA,6BAMA,kCACA,CAJA,sBACA,aAEA,CAJA,eACA,MAIA,2FAEA,UAGA,YACA,sBACE,8BAEA,CALF,aACA,WAIE,OACA,oBAEF,uBACE,WAEF,YAFE,UAEF,eAgBA,kBACE,CAhBA,qDAQF,qCAGF,CAGI,YACF,CAJF,2BAGI,CAEA,eACA,qBAGA,mEAEA,qBACA,8BAIA,kBADF,kBACE,yBAEJ,oCAGI,qDAIJ,+BAGI,oCAEA,+CAQF,4CACE,yBACF,2BAOE,sBACA,CAHA,WACA,CAFF,cACE,CAJA,YAGF,CAEE,SAEA,mBAGA,kDAEE,CAJF,cAEA,cAEE,sBAEA,mBADA,YACA,uBACA,mDACE,CADF,YACE,iDAEA,uCAEN,+DAOE,mBADF,sBACE,mBAGF,aACE,sCAIA,aADF,WACE,CAKF,SACE,CAHJ,kBAEE,CAJE,gBAEJ,CAHI,iBAMA,yFAKA,aACA,eACA,cCxaJ,iBAEE,aADA,iBACA,6BAEA,kCAEA,SACA,UAIA,gCACA,CALA,SAEA,SAEA,CAJA,wEAEA,CAFA,OAKA,CAGA,mDACE,iBAGF,gCACE,CADF,UACE,aAEJ,iCAEE,CAFF,UAEE,wCAEA,WACA,WADA,UACA,CACA,4CAGA,MACA,CADA,KACA,wCACA,UAGA,CAJA,UAIA,6DAUA,0CACE,CAFF,mBAEE,wEACA,CAVA,YACA,CAMF,mBAJE,OAOA,gBAJJ,gCACE,CANE,cACA,CAHA,oBACA,CAGA,QAGJ,CAII,0BACA,CADA,UACA,wCAEJ,kBACE,0DACA,gCACE,kBACA,CADA,YACA,oEACA,2CAMF,mDAII,CALN,YACE,CANE,cAKJ,CACE,iBAII,kEACA,yCACE,kDACA,yDACE,+CACA,uBANN,CAMM,+BANN,uCACE,qDACA,4BAEE,mBADA,0CACA,CADA,qBACA,0DACE,wCACA,sGALJ,oCACA,sBACE,kBAFF,UAEE,2CACA,wFACE,cACA,kEANN,uBACE,iDACA,CADA,UACA,0DACE,wDAEE,iEACA,qEANN,sCACE,CAGE,iBAHF,gBAGE,qBACE,CAJJ,uBACA,gDACE,wDACA,6DAHF,2CACA,CADA,gBACA,eACE,CAGE,sBANN,8BACE,CAII,iBAFF,4DACA,WACE,YADF,uCACE,6EACA,2BANN,8CACE,kDACA,0CACE,8BACA,yFACE,sBACA,sFALJ,mEACA,sBACE,kEACA,6EACE,uCACA,kEALJ,qGAEE,kEACA,6EACE,uCACA,kEALJ,8CACA,uDACE,sEACA,2EACE,sCACA,iEALJ,mGACA,qCACE,oDACA,0DACE,6GACA,gDAGR,yDCvEA,sEACE,CACA,6GACE,gEACF,iGAIF,wFACE,qDAGA,mGAEE,2CAEF,4FACE,gCACF,wGACE,8DAEE,6FAIA,iJAKN,6GACE,gDAKF,yDACA,qCAGA,6BACA,kBACA,qDAKA,oCAEA,+DAGA,2CAGE,oDAIA,oEAEE,qBAEN,wDAEE,uCACE,kEAGJ,CACE,6CACA,uDAGF,CACE,mCAEF,yDAIE,gEAGA,CAEA,wHAIF,sDACE,+DAEE,sCAGF,8BACA,oCACE,oHAIF,gBACE,yGAIF,mBChHA,2MCDF,4HAQE,wKAOA,8HCbA,mBAEA,6HAIE,YACA,mIAaJ,gBAPE,YAOF,4FAKE,qDAuBE,sCACA,CAHA,oBAEA,CAbF,wCACE,CALF,8BAIA,CARE,eAIF,CAKE,mBAEF,qBAEE,CAIF,+BACE,mBACA,CAGA,kCACA,6BAIF,4CAIA,kDACE,6BACA,2BAGF,iBACE,mDAGA,8BACA,WAGJ,2BACE,cAGA,+BACA,CAHA,eAGA,wCACA,YACA,iBACA,uEAGA,0BACA,2CAEA,8EAGI,qBACA,CAFF,kBAEE,4DAMJ,mCACE,4BAGA,oBAGF,4CACE,qCACA,8BACA,gBACA,+CAEA,iCAEF,iCACE,oBACA,4CACA,qCAGF,8BAEE,+BAEA,WAEA,8BACE,oBACA,CADA,gBACA,yBAKF,gBADF,YACE,CACA,iBACA,qDAEA,mDCvIJ,2FAMA,iCACE,CACA,eAEA,CAFA,mBADA,wBAIA,8BACA,gBADA,YACA,0BAEE,8CAGA,wDAIE,gFAGE,iBAEN,wCAKF,+CACE,CACA,oDAEF,kDAIE,YAEF,CAHE,YAGF,CCpCE,mFAFA,QACA,UAIA,CAHA,IAGA,gDAGE,eACA,iEAGF,wBAEE,mBAMA,6CAEF,CAJE,mBACA,CAGF,kCAGE,CARF,kBACE,CAHA,eAUA,YACA,mBACA,CAFA,UAEA,wCC/BJ,mBACE,CDkCE,wBACA,sBCpCJ,iBACE,mDACA,2CACA,sBAGA,qBCDA,6CAIE,CATJ,uBAKE,CDGE,oBACF,yDAEE,CCDE,2CAGF,CAJA,kCACE,CDJJ,aAKE,eCXJ,CDME,uBCOE,gCACE,YAEF,2CAEE,wBACA,0BAIF,iBAEA,cADF,UACE,uBAEA,iCAEA,wCAEA,6CAMA,CAYF,gCATI,4BASJ,CAZE,mCAEE,iCAUJ,4BAGE,4DADA,+BACA,CAHF,qBAGE,sCACE,OAEF,iBAHA,SAGA,iHACE,2DAKF,CANA,8EAMA,uSAEE,kBAEF,+FACE,yCCjEJ,WACA,yBAGA,uBACA,gBAEA,uCAIA,CAJA,iCAIA,uCAGA,UACE,gBACA,qBAEA,0CClBJ,gBACE,KAGF,qBACE,YAGF,CAHE,cAGF,gCAEE,mBACA,iEAEA,oCACA,wCAEA,sBACA,WAEA,CAFA,YAEA,8EAEA,mCAFA,iBAEA,6BAIA,wEAKA,sDAIE,CARF,mDAIA,CAIE,cAEF,8CAIA,oBAFE,iBAEF,8CAGE,eAEF,CAFE,YAEF,OAEE,kBAGJ,CAJI,eACA,CAFF,mBAKF,yCCjDE,oBACA,CAFA,iBAEA,uCAKE,iBACA,qCAGA,mBCZJ,CDWI,gBCXJ,6BAEE,eACA,sBAGA,eAEA,sBACA,oDACA,iGAMA,gBAFE,YAEF,8FAME,iJCnBF,YACA,gNAWE,gDAEF,iSAaE,kBACE,gHAKF,oCACE,eACF,CADE,UACF,8CACE,gDACF,wCACE,oBCtCJ,oBAEF,6BACE,QACE,kDAGF,yBACE,kDAmBA,kDAEF,CAhBA,+CAaA,CAbA,oBAaA,0FACE,CADF,gGAfF,cACE,gBACA,CAaA,0BAGA,mQACE,gBAGF,oMACE,iBACA,CAFF,eACE,CADF,gBAEE,aAGJ,iCAEE,CAFF,wCAEE,wBAUE,+VAIE,uEAHA,2BAGA,wXAKJ,iDAGF,CARM,+CACE,iDAIN,CALI,gBAQN,mHACE,gBAGF,2DACE,0EAOA,0EAGF,gBAEE,6DCjFA,kDACA,gCACA,qDAGA,qBACA,qDCDA,cACA,eAEA,yBAGF,sBAEE,iBACA,sNAWA,iBACE,kBACA,wRAgBA,kBAEA,iOAgBA,uCACE,uEAEA,kBAEF,qUAuBE,iDAIJ,CACA,geCzFF,4BAEE,CAQA,6JACA,iDAIA,sEAGA,mDAOF,iDAGE,4DAIA,8CACA,qDAEE,eAFF,cAEE,oBAEF,uBAFE,kCAGA,eACA,iBACA,mBAIA,mDACA,CAHA,uCAEA,CAJA,0CACA,CAIA,gBAJA,gBACA,oBADA,gBAIA,wBAEJ,gBAGE,6BACA,YAHA,iBAGA,gCACA,iEAEA,6CACA,sDACA,0BADA,wBACA,0BACA,oIAIA,mBAFA,YAEA,qBACA,0CAIE,uBAEF,CAHA,yBACE,CAEF,iDACE,mFAKJ,oCACE,CANE,aAKJ,CACE,qEAIA,YAFA,WAEA,CAHA,aACA,CAEA,gBACE,4BACA,sBADA,aACA,gCAMF,oCACA,yDACA,2CAEA,qBAGE,kBAEA,CACA,mCAIF,CARE,YACA,CAOF,iCAEE,CAPA,oBACA,CAQA,oBACE,uDAEJ,sDAGA,CAHA,cAGA,0BACE,oDAIA,oCACA,4BACA,sBAGA,cAEA,oFAGA,sBAEA,yDACE,CAIF,iBAJE,wBAIF,6CAHE,6CAKA,eACA,aACA,CADA,cACA,yCAGJ,kBACE,CAKA,iDAEA,CARF,aACE,4CAGA,kBAIA,wEAGA,wDAGA,kCAOA,iDAGA,CAPF,WAEE,sCAEA,CAJF,2CACE,CAMA,qCACA,+BARF,kBACE,qCAOA,iBAsBA,sBACE,CAvBF,WAKA,CACE,0DAIF,CALA,uDACE,CANF,sBAqBA,4CACA,CALA,gRAIA,YAEE,6CAEN,mCAEE,+CASA,6EAIA,4BChNA,SDmNA,qFCnNA,gDACA,sCAGA,qCACA,sDACA,CAKA,kDAGA,CARA,0CAQA,kBAGA,YACA,sBACA,iBAFA,gBADF,YACE,CAHA,SAKA,kBAEA,SAFA,iBAEA,uEAGA,CAEE,6CAFF,oCAgBI,CAdF,yBACE,qBACF,CAGF,oBACE,CAIF,WACE,CALA,2CAGA,uBACF,CACE,mFAGE,CALF,qBAEA,UAGE,gCAIF,sDAEA,CALE,oCAKF,yCC7CJ,oCACE,CD+CA,yXAQE,sCCrDJ,wCAGA,oCACE","sources":["webpack:///./node_modules/normalize.css/normalize.css","webpack:///./src/furo/assets/styles/base/_print.sass","webpack:///./src/furo/assets/styles/base/_screen-readers.sass","webpack:///./src/furo/assets/styles/base/_theme.sass","webpack:///./src/furo/assets/styles/variables/_fonts.scss","webpack:///./src/furo/assets/styles/variables/_spacing.scss","webpack:///./src/furo/assets/styles/variables/_icons.scss","webpack:///./src/furo/assets/styles/variables/_admonitions.scss","webpack:///./src/furo/assets/styles/variables/_colors.scss","webpack:///./src/furo/assets/styles/base/_typography.sass","webpack:///./src/furo/assets/styles/_scaffold.sass","webpack:///./src/furo/assets/styles/content/_admonitions.sass","webpack:///./src/furo/assets/styles/content/_api.sass","webpack:///./src/furo/assets/styles/content/_blocks.sass","webpack:///./src/furo/assets/styles/content/_captions.sass","webpack:///./src/furo/assets/styles/content/_code.sass","webpack:///./src/furo/assets/styles/content/_footnotes.sass","webpack:///./src/furo/assets/styles/content/_images.sass","webpack:///./src/furo/assets/styles/content/_indexes.sass","webpack:///./src/furo/assets/styles/content/_lists.sass","webpack:///./src/furo/assets/styles/content/_math.sass","webpack:///./src/furo/assets/styles/content/_misc.sass","webpack:///./src/furo/assets/styles/content/_rubrics.sass","webpack:///./src/furo/assets/styles/content/_sidebar.sass","webpack:///./src/furo/assets/styles/content/_tables.sass","webpack:///./src/furo/assets/styles/content/_target.sass","webpack:///./src/furo/assets/styles/content/_gui-labels.sass","webpack:///./src/furo/assets/styles/components/_footer.sass","webpack:///./src/furo/assets/styles/components/_sidebar.sass","webpack:///./src/furo/assets/styles/components/_table_of_contents.sass","webpack:///./src/furo/assets/styles/_shame.sass"],"sourcesContent":["/*! normalize.css v8.0.1 | MIT License | github.com/necolas/normalize.css */\n\n/* Document\n ========================================================================== */\n\n/**\n * 1. Correct the line height in all browsers.\n * 2. Prevent adjustments of font size after orientation changes in iOS.\n */\n\nhtml {\n line-height: 1.15; /* 1 */\n -webkit-text-size-adjust: 100%; /* 2 */\n}\n\n/* Sections\n ========================================================================== */\n\n/**\n * Remove the margin in all browsers.\n */\n\nbody {\n margin: 0;\n}\n\n/**\n * Render the `main` element consistently in IE.\n */\n\nmain {\n display: block;\n}\n\n/**\n * Correct the font size and margin on `h1` elements within `section` and\n * `article` contexts in Chrome, Firefox, and Safari.\n */\n\nh1 {\n font-size: 2em;\n margin: 0.67em 0;\n}\n\n/* Grouping content\n ========================================================================== */\n\n/**\n * 1. Add the correct box sizing in Firefox.\n * 2. Show the overflow in Edge and IE.\n */\n\nhr {\n box-sizing: content-box; /* 1 */\n height: 0; /* 1 */\n overflow: visible; /* 2 */\n}\n\n/**\n * 1. Correct the inheritance and scaling of font size in all browsers.\n * 2. Correct the odd `em` font sizing in all browsers.\n */\n\npre {\n font-family: monospace, monospace; /* 1 */\n font-size: 1em; /* 2 */\n}\n\n/* Text-level semantics\n ========================================================================== */\n\n/**\n * Remove the gray background on active links in IE 10.\n */\n\na {\n background-color: transparent;\n}\n\n/**\n * 1. Remove the bottom border in Chrome 57-\n * 2. Add the correct text decoration in Chrome, Edge, IE, Opera, and Safari.\n */\n\nabbr[title] {\n border-bottom: none; /* 1 */\n text-decoration: underline; /* 2 */\n text-decoration: underline dotted; /* 2 */\n}\n\n/**\n * Add the correct font weight in Chrome, Edge, and Safari.\n */\n\nb,\nstrong {\n font-weight: bolder;\n}\n\n/**\n * 1. Correct the inheritance and scaling of font size in all browsers.\n * 2. Correct the odd `em` font sizing in all browsers.\n */\n\ncode,\nkbd,\nsamp {\n font-family: monospace, monospace; /* 1 */\n font-size: 1em; /* 2 */\n}\n\n/**\n * Add the correct font size in all browsers.\n */\n\nsmall {\n font-size: 80%;\n}\n\n/**\n * Prevent `sub` and `sup` elements from affecting the line height in\n * all browsers.\n */\n\nsub,\nsup {\n font-size: 75%;\n line-height: 0;\n position: relative;\n vertical-align: baseline;\n}\n\nsub {\n bottom: -0.25em;\n}\n\nsup {\n top: -0.5em;\n}\n\n/* Embedded content\n ========================================================================== */\n\n/**\n * Remove the border on images inside links in IE 10.\n */\n\nimg {\n border-style: none;\n}\n\n/* Forms\n ========================================================================== */\n\n/**\n * 1. Change the font styles in all browsers.\n * 2. Remove the margin in Firefox and Safari.\n */\n\nbutton,\ninput,\noptgroup,\nselect,\ntextarea {\n font-family: inherit; /* 1 */\n font-size: 100%; /* 1 */\n line-height: 1.15; /* 1 */\n margin: 0; /* 2 */\n}\n\n/**\n * Show the overflow in IE.\n * 1. Show the overflow in Edge.\n */\n\nbutton,\ninput { /* 1 */\n overflow: visible;\n}\n\n/**\n * Remove the inheritance of text transform in Edge, Firefox, and IE.\n * 1. Remove the inheritance of text transform in Firefox.\n */\n\nbutton,\nselect { /* 1 */\n text-transform: none;\n}\n\n/**\n * Correct the inability to style clickable types in iOS and Safari.\n */\n\nbutton,\n[type=\"button\"],\n[type=\"reset\"],\n[type=\"submit\"] {\n -webkit-appearance: button;\n}\n\n/**\n * Remove the inner border and padding in Firefox.\n */\n\nbutton::-moz-focus-inner,\n[type=\"button\"]::-moz-focus-inner,\n[type=\"reset\"]::-moz-focus-inner,\n[type=\"submit\"]::-moz-focus-inner {\n border-style: none;\n padding: 0;\n}\n\n/**\n * Restore the focus styles unset by the previous rule.\n */\n\nbutton:-moz-focusring,\n[type=\"button\"]:-moz-focusring,\n[type=\"reset\"]:-moz-focusring,\n[type=\"submit\"]:-moz-focusring {\n outline: 1px dotted ButtonText;\n}\n\n/**\n * Correct the padding in Firefox.\n */\n\nfieldset {\n padding: 0.35em 0.75em 0.625em;\n}\n\n/**\n * 1. Correct the text wrapping in Edge and IE.\n * 2. Correct the color inheritance from `fieldset` elements in IE.\n * 3. Remove the padding so developers are not caught out when they zero out\n * `fieldset` elements in all browsers.\n */\n\nlegend {\n box-sizing: border-box; /* 1 */\n color: inherit; /* 2 */\n display: table; /* 1 */\n max-width: 100%; /* 1 */\n padding: 0; /* 3 */\n white-space: normal; /* 1 */\n}\n\n/**\n * Add the correct vertical alignment in Chrome, Firefox, and Opera.\n */\n\nprogress {\n vertical-align: baseline;\n}\n\n/**\n * Remove the default vertical scrollbar in IE 10+.\n */\n\ntextarea {\n overflow: auto;\n}\n\n/**\n * 1. Add the correct box sizing in IE 10.\n * 2. Remove the padding in IE 10.\n */\n\n[type=\"checkbox\"],\n[type=\"radio\"] {\n box-sizing: border-box; /* 1 */\n padding: 0; /* 2 */\n}\n\n/**\n * Correct the cursor style of increment and decrement buttons in Chrome.\n */\n\n[type=\"number\"]::-webkit-inner-spin-button,\n[type=\"number\"]::-webkit-outer-spin-button {\n height: auto;\n}\n\n/**\n * 1. Correct the odd appearance in Chrome and Safari.\n * 2. Correct the outline style in Safari.\n */\n\n[type=\"search\"] {\n -webkit-appearance: textfield; /* 1 */\n outline-offset: -2px; /* 2 */\n}\n\n/**\n * Remove the inner padding in Chrome and Safari on macOS.\n */\n\n[type=\"search\"]::-webkit-search-decoration {\n -webkit-appearance: none;\n}\n\n/**\n * 1. Correct the inability to style clickable types in iOS and Safari.\n * 2. Change font properties to `inherit` in Safari.\n */\n\n::-webkit-file-upload-button {\n -webkit-appearance: button; /* 1 */\n font: inherit; /* 2 */\n}\n\n/* Interactive\n ========================================================================== */\n\n/*\n * Add the correct display in Edge, IE 10+, and Firefox.\n */\n\ndetails {\n display: block;\n}\n\n/*\n * Add the correct display in all browsers.\n */\n\nsummary {\n display: list-item;\n}\n\n/* Misc\n ========================================================================== */\n\n/**\n * Add the correct display in IE 10+.\n */\n\ntemplate {\n display: none;\n}\n\n/**\n * Add the correct display in IE 10.\n */\n\n[hidden] {\n display: none;\n}\n","// This file contains styles for managing print media.\n\n////////////////////////////////////////////////////////////////////////////////\n// Hide elements not relevant to print media.\n////////////////////////////////////////////////////////////////////////////////\n@media print\n // Hide icon container.\n .content-icon-container\n display: none !important\n\n // Hide showing header links if hovering over when printing.\n .headerlink\n display: none !important\n\n // Hide mobile header.\n .mobile-header\n display: none !important\n\n // Hide navigation links.\n .related-pages\n display: none !important\n\n////////////////////////////////////////////////////////////////////////////////\n// Tweaks related to decolorization.\n////////////////////////////////////////////////////////////////////////////////\n@media print\n // Apply a border around code which no longer have a color background.\n .highlight\n border: 0.1pt solid var(--color-foreground-border)\n\n////////////////////////////////////////////////////////////////////////////////\n// Avoid page break in some relevant cases.\n////////////////////////////////////////////////////////////////////////////////\n@media print\n ul, ol, dl, a, table, pre, blockquote, p\n page-break-inside: avoid\n\n h1, h2, h3, h4, h5, h6, img, figure, caption\n page-break-inside: avoid\n page-break-after: avoid\n\n ul, ol, dl\n page-break-before: avoid\n",".visually-hidden\n position: absolute !important\n width: 1px !important\n height: 1px !important\n padding: 0 !important\n margin: -1px !important\n overflow: hidden !important\n clip: rect(0,0,0,0) !important\n white-space: nowrap !important\n border: 0 !important\n color: var(--color-foreground-primary)\n background: var(--color-background-primary)\n\n:-moz-focusring\n outline: auto\n","// This file serves as the \"skeleton\" of the theming logic.\n//\n// This contains the bulk of the logic for handling dark mode, color scheme\n// toggling and the handling of color-scheme-specific hiding of elements.\n\n@use \"../variables\" as *\n\nbody\n @include fonts\n @include spacing\n @include icons\n @include admonitions\n @include default-admonition(#651fff, \"abstract\")\n @include default-topic(#14B8A6, \"pencil\")\n\n @include colors\n\n.only-light\n display: block !important\nhtml body .only-dark\n display: none !important\n\n// Ignore dark-mode hints if print media.\n@media not print\n // Enable dark-mode, if requested.\n body[data-theme=\"dark\"]\n @include colors-dark\n\n html & .only-light\n display: none !important\n .only-dark\n display: block !important\n\n // Enable dark mode, unless explicitly told to avoid.\n @media (prefers-color-scheme: dark)\n body:not([data-theme=\"light\"])\n @include colors-dark\n\n html & .only-light\n display: none !important\n .only-dark\n display: block !important\n\n//\n// Theme toggle presentation\n//\nbody[data-theme=\"auto\"]\n .theme-toggle svg.theme-icon-when-auto-light\n display: block\n\n @media (prefers-color-scheme: dark)\n .theme-toggle svg.theme-icon-when-auto-dark\n display: block\n .theme-toggle svg.theme-icon-when-auto-light\n display: none\n\nbody[data-theme=\"dark\"]\n .theme-toggle svg.theme-icon-when-dark\n display: block\n\nbody[data-theme=\"light\"]\n .theme-toggle svg.theme-icon-when-light\n display: block\n","// Fonts used by this theme.\n//\n// There are basically two things here -- using the system font stack and\n// defining sizes for various elements in %ages. We could have also used `em`\n// but %age is easier to reason about for me.\n\n@mixin fonts {\n // These are adapted from https://systemfontstack.com/\n --font-stack:\n -apple-system, BlinkMacSystemFont, Segoe UI, Helvetica, Arial, sans-serif,\n Apple Color Emoji, Segoe UI Emoji;\n --font-stack--monospace:\n \"SFMono-Regular\", Menlo, Consolas, Monaco, Liberation Mono, Lucida Console,\n monospace;\n --font-stack--headings: var(--font-stack);\n\n --font-size--normal: 100%;\n --font-size--small: 87.5%;\n --font-size--small--2: 81.25%;\n --font-size--small--3: 75%;\n --font-size--small--4: 62.5%;\n\n // Sidebar\n --sidebar-caption-font-size: var(--font-size--small--2);\n --sidebar-item-font-size: var(--font-size--small);\n --sidebar-search-input-font-size: var(--font-size--small);\n\n // Table of Contents\n --toc-font-size: var(--font-size--small--3);\n --toc-font-size--mobile: var(--font-size--normal);\n --toc-title-font-size: var(--font-size--small--4);\n\n // Admonitions\n //\n // These aren't defined in terms of %ages, since nesting these is permitted.\n --admonition-font-size: 0.8125rem;\n --admonition-title-font-size: 0.8125rem;\n\n // Code\n --code-font-size: var(--font-size--small--2);\n\n // API\n --api-font-size: var(--font-size--small);\n}\n","// Spacing for various elements on the page\n//\n// If the user wants to tweak things in a certain way, they are permitted to.\n// They also have to deal with the consequences though!\n\n@mixin spacing {\n // Header!\n --header-height: calc(\n var(--sidebar-item-line-height) + 4 *\n #{var(--sidebar-item-spacing-vertical)}\n );\n --header-padding: 0.5rem;\n\n // Sidebar\n --sidebar-tree-space-above: 1.5rem;\n --sidebar-caption-space-above: 1rem;\n\n --sidebar-item-line-height: 1rem;\n --sidebar-item-spacing-vertical: 0.5rem;\n --sidebar-item-spacing-horizontal: 1rem;\n --sidebar-item-height: calc(\n var(--sidebar-item-line-height) + 2 *#{var(--sidebar-item-spacing-vertical)}\n );\n\n --sidebar-expander-width: var(--sidebar-item-height); // be square\n\n --sidebar-search-space-above: 0.5rem;\n --sidebar-search-input-spacing-vertical: 0.5rem;\n --sidebar-search-input-spacing-horizontal: 0.5rem;\n --sidebar-search-input-height: 1rem;\n --sidebar-search-icon-size: var(--sidebar-search-input-height);\n\n // Table of Contents\n --toc-title-padding: 0.25rem 0;\n --toc-spacing-vertical: 1.5rem;\n --toc-spacing-horizontal: 1.5rem;\n --toc-item-spacing-vertical: 0.4rem;\n --toc-item-spacing-horizontal: 1rem;\n}\n","// Expose theme icons as CSS variables.\n\n$icons: (\n // Adapted from tabler-icons\n // url: https://tablericons.com/\n \"search\":\n url('data:image/svg+xml;charset=utf-8,'),\n // Factored out from mkdocs-material on 24-Aug-2020.\n // url: https://squidfunk.github.io/mkdocs-material/reference/admonitions/\n \"pencil\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"abstract\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"info\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"flame\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"question\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"warning\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"failure\":\n url('data:image/svg+xml;charset=utf-8,'),\n \"spark\":\n url('data:image/svg+xml;charset=utf-8,')\n);\n\n@mixin icons {\n @each $name, $glyph in $icons {\n --icon-#{$name}: #{$glyph};\n }\n}\n","@use \"sass:list\";\n// Admonitions\n\n// Structure of these is:\n// admonition-class: color \"icon-name\";\n//\n// The colors are translated into CSS variables below. The icons are\n// used directly in the main declarations to set the `mask-image` in\n// the title.\n\n// prettier-ignore\n$admonitions: (\n // Each of these has an reST directives for it.\n \"caution\": #ff9100 \"spark\",\n \"warning\": #ff9100 \"warning\",\n \"danger\": #ff5252 \"spark\",\n \"attention\": #ff5252 \"warning\",\n \"error\": #ff5252 \"failure\",\n \"hint\": #00c852 \"question\",\n \"tip\": #00c852 \"info\",\n \"important\": #00bfa5 \"flame\",\n \"note\": #00b0ff \"pencil\",\n \"seealso\": #448aff \"info\",\n \"admonition-todo\": #808080 \"pencil\"\n);\n\n@mixin default-admonition($color, $icon-name) {\n --color-admonition-title: #{$color};\n --color-admonition-title-background: #{rgba($color, 0.2)};\n\n --icon-admonition-default: var(--icon-#{$icon-name});\n}\n\n@mixin default-topic($color, $icon-name) {\n --color-topic-title: #{$color};\n --color-topic-title-background: #{rgba($color, 0.2)};\n\n --icon-topic-default: var(--icon-#{$icon-name});\n}\n\n@mixin admonitions {\n @each $name, $values in $admonitions {\n --color-admonition-title--#{$name}: #{list.nth($values, 1)};\n --color-admonition-title-background--#{$name}: #{rgba(\n list.nth($values, 1),\n 0.2\n )};\n }\n}\n","// Colors used throughout this theme.\n//\n// The aim is to give the user more control. Thus, instead of hard-coding colors\n// in various parts of the stylesheet, the approach taken is to define all\n// colors as CSS variables and reusing them in all the places.\n//\n// `colors-dark` depends on `colors` being included at a lower specificity.\n\n@mixin colors {\n --color-problematic: #b30000;\n\n // Base Colors\n --color-foreground-primary: black; // for main text and headings\n --color-foreground-secondary: #5a5c63; // for secondary text\n --color-foreground-muted: #6b6f76; // for muted text\n --color-foreground-border: #878787; // for content borders\n\n --color-background-primary: white; // for content\n --color-background-secondary: #f8f9fb; // for navigation + ToC\n --color-background-hover: #efeff4ff; // for navigation-item hover\n --color-background-hover--transparent: #efeff400;\n --color-background-border: #eeebee; // for UI borders\n --color-background-item: #ccc; // for \"background\" items (eg: copybutton)\n\n // Announcements\n --color-announcement-background: #000000dd;\n --color-announcement-text: #eeebee;\n\n // Brand colors\n --color-brand-primary: #0a4bff;\n --color-brand-content: #2757dd;\n --color-brand-visited: #872ee0;\n\n // API documentation\n --color-api-background: var(--color-background-hover--transparent);\n --color-api-background-hover: var(--color-background-hover);\n --color-api-overall: var(--color-foreground-secondary);\n --color-api-name: var(--color-problematic);\n --color-api-pre-name: var(--color-problematic);\n --color-api-paren: var(--color-foreground-secondary);\n --color-api-keyword: var(--color-foreground-primary);\n\n --color-api-added: #21632c;\n --color-api-added-border: #38a84d;\n --color-api-changed: #046172;\n --color-api-changed-border: #06a1bc;\n --color-api-deprecated: #605706;\n --color-api-deprecated-border: #f0d90f;\n --color-api-removed: #b30000;\n --color-api-removed-border: #ff5c5c;\n\n --color-highlight-on-target: #ffffcc;\n\n // Inline code background\n --color-inline-code-background: var(--color-background-secondary);\n\n // Highlighted text (search)\n --color-highlighted-background: #ddeeff;\n --color-highlighted-text: var(--color-foreground-primary);\n\n // GUI Labels\n --color-guilabel-background: #ddeeff80;\n --color-guilabel-border: #bedaf580;\n --color-guilabel-text: var(--color-foreground-primary);\n\n // Admonitions!\n --color-admonition-background: transparent;\n\n //////////////////////////////////////////////////////////////////////////////\n // Everything below this should be one of:\n // - var(...)\n // - *-gradient(...)\n // - special literal values (eg: transparent, none)\n //////////////////////////////////////////////////////////////////////////////\n\n // Tables\n --color-table-header-background: var(--color-background-secondary);\n --color-table-border: var(--color-background-border);\n\n // Cards\n --color-card-border: var(--color-background-secondary);\n --color-card-background: transparent;\n --color-card-marginals-background: var(--color-background-secondary);\n\n // Header\n --color-header-background: var(--color-background-primary);\n --color-header-border: var(--color-background-border);\n --color-header-text: var(--color-foreground-primary);\n\n // Sidebar (left)\n --color-sidebar-background: var(--color-background-secondary);\n --color-sidebar-background-border: var(--color-background-border);\n\n --color-sidebar-brand-text: var(--color-foreground-primary);\n --color-sidebar-caption-text: var(--color-foreground-muted);\n --color-sidebar-link-text: var(--color-foreground-secondary);\n --color-sidebar-link-text--top-level: var(--color-brand-primary);\n\n --color-sidebar-item-background: var(--color-sidebar-background);\n --color-sidebar-item-background--current: var(\n --color-sidebar-item-background\n );\n --color-sidebar-item-background--hover: linear-gradient(\n 90deg,\n var(--color-background-hover--transparent) 0%,\n var(--color-background-hover) var(--sidebar-item-spacing-horizontal),\n var(--color-background-hover) 100%\n );\n\n --color-sidebar-item-expander-background: transparent;\n --color-sidebar-item-expander-background--hover: var(\n --color-background-hover\n );\n\n --color-sidebar-search-text: var(--color-foreground-primary);\n --color-sidebar-search-background: var(--color-background-secondary);\n --color-sidebar-search-background--focus: var(--color-background-primary);\n --color-sidebar-search-border: var(--color-background-border);\n --color-sidebar-search-icon: var(--color-foreground-muted);\n\n // Table of Contents (right)\n --color-toc-background: var(--color-background-primary);\n --color-toc-title-text: var(--color-foreground-muted);\n --color-toc-item-text: var(--color-foreground-secondary);\n --color-toc-item-text--hover: var(--color-foreground-primary);\n --color-toc-item-text--active: var(--color-brand-primary);\n\n // Actual page contents\n --color-content-foreground: var(--color-foreground-primary);\n --color-content-background: transparent;\n\n // Links\n --color-link: var(--color-brand-content);\n --color-link-underline: var(--color-background-border);\n --color-link--hover: var(--color-brand-content);\n --color-link-underline--hover: var(--color-foreground-border);\n\n --color-link--visited: var(--color-brand-visited);\n --color-link-underline--visited: var(--color-background-border);\n --color-link--visited--hover: var(--color-brand-visited);\n --color-link-underline--visited--hover: var(--color-foreground-border);\n}\n\n@mixin colors-dark {\n --color-problematic: #ee5151;\n\n // Base Colors\n --color-foreground-primary: #cfd0d0; // for main text and headings\n --color-foreground-secondary: #9ca0a5; // for secondary text\n --color-foreground-muted: #81868d; // for muted text\n --color-foreground-border: #666666; // for content borders\n\n --color-background-primary: #131416; // for content\n --color-background-secondary: #1a1c1e; // for navigation + ToC\n --color-background-hover: #1e2124ff; // for navigation-item hover\n --color-background-hover--transparent: #1e212400;\n --color-background-border: #303335; // for UI borders\n --color-background-item: #444; // for \"background\" items (eg: copybutton)\n\n // Announcements\n --color-announcement-background: #000000dd;\n --color-announcement-text: #eeebee;\n\n // Brand colors\n --color-brand-primary: #3d94ff;\n --color-brand-content: #5ca5ff;\n --color-brand-visited: #b27aeb;\n\n // Highlighted text (search)\n --color-highlighted-background: #083563;\n\n // GUI Labels\n --color-guilabel-background: #08356380;\n --color-guilabel-border: #13395f80;\n\n // API documentation\n --color-api-keyword: var(--color-foreground-secondary);\n --color-highlight-on-target: #333300;\n\n --color-api-added: #3db854;\n --color-api-added-border: #267334;\n --color-api-changed: #09b0ce;\n --color-api-changed-border: #056d80;\n --color-api-deprecated: #b1a10b;\n --color-api-deprecated-border: #6e6407;\n --color-api-removed: #ff7575;\n --color-api-removed-border: #b03b3b;\n\n // Admonitions\n --color-admonition-background: #18181a;\n\n // Cards\n --color-card-border: var(--color-background-secondary);\n --color-card-background: #18181a;\n --color-card-marginals-background: var(--color-background-hover);\n}\n","// This file contains the styling for making the content throughout the page,\n// including fonts, paragraphs, headings and spacing among these elements.\n\nbody\n font-family: var(--font-stack)\npre,\ncode,\nkbd,\nsamp\n font-family: var(--font-stack--monospace)\n\n// Make fonts look slightly nicer.\nbody\n -webkit-font-smoothing: antialiased\n -moz-osx-font-smoothing: grayscale\n\n// Line height from Bootstrap 4.1\narticle\n line-height: 1.5\n\n//\n// Headings\n//\nh1,\nh2,\nh3,\nh4,\nh5,\nh6\n line-height: 1.25\n font-family: var(--font-stack--headings)\n font-weight: bold\n\n border-radius: 0.5rem\n margin-top: 0.5rem\n margin-bottom: 0.5rem\n margin-left: -0.5rem\n margin-right: -0.5rem\n padding-left: 0.5rem\n padding-right: 0.5rem\n\n + p\n margin-top: 0\n\nh1\n font-size: 2.5em\n margin-top: 1.75rem\n margin-bottom: 1rem\nh2\n font-size: 2em\n margin-top: 1.75rem\nh3\n font-size: 1.5em\nh4\n font-size: 1.25em\nh5\n font-size: 1.125em\nh6\n font-size: 1em\n\nsmall\n opacity: 75%\n font-size: 80%\n\n// Paragraph\np\n margin-top: 0.5rem\n margin-bottom: 0.75rem\n\n// Horizontal rules\nhr.docutils\n height: 1px\n padding: 0\n margin: 2rem 0\n background-color: var(--color-background-border)\n border: 0\n\n.centered\n text-align: center\n\n// Links\na\n text-decoration: underline\n\n color: var(--color-link)\n text-decoration-color: var(--color-link-underline)\n\n &:visited\n color: var(--color-link--visited)\n text-decoration-color: var(--color-link-underline--visited)\n &:hover\n color: var(--color-link--visited--hover)\n text-decoration-color: var(--color-link-underline--visited--hover)\n\n &:hover\n color: var(--color-link--hover)\n text-decoration-color: var(--color-link-underline--hover)\n &.muted-link\n color: inherit\n &:hover\n color: var(--color-link--hover)\n text-decoration-color: var(--color-link-underline--hover)\n &:visited\n color: var(--color-link--visited--hover)\n text-decoration-color: var(--color-link-underline--visited--hover)\n","// This file contains the styles for the overall layouting of the documentation\n// skeleton, including the responsive changes as well as sidebar toggles.\n//\n// This is implemented as a mobile-last design, which isn't ideal, but it is\n// reasonably good-enough and I got pretty tired by the time I'd finished this\n// to move the rules around to fix this. Shouldn't take more than 3-4 hours,\n// if you know what you're doing tho.\n\n// HACK: Not all browsers account for the scrollbar width in media queries.\n// This results in horizontal scrollbars in the breakpoint where we go\n// from displaying everything to hiding the ToC. We accomodate for this by\n// adding a bit of padding to the TOC drawer, disabling the horizontal\n// scrollbar and allowing the scrollbars to cover the padding.\n// https://www.456bereastreet.com/archive/201301/media_query_width_and_vertical_scrollbars/\n\n// HACK: Always having the scrollbar visible, prevents certain browsers from\n// causing the content to stutter horizontally between taller-than-viewport and\n// not-taller-than-viewport pages.\n@use \"variables\" as *\n\nhtml\n overflow-x: hidden\n overflow-y: scroll\n scroll-behavior: smooth\n\n.sidebar-scroll, .toc-scroll, article[role=main] *\n scrollbar-width: thin\n scrollbar-color: var(--color-foreground-border) transparent\n\n//\n// Overalls\n//\nhtml,\nbody\n height: 100%\n color: var(--color-foreground-primary)\n background: var(--color-background-primary)\n\n.skip-to-content\n position: fixed\n padding: 1rem\n border-radius: 1rem\n left: 0.25rem\n top: 0.25rem\n z-index: 40\n background: var(--color-background-primary)\n color: var(--color-foreground-primary)\n\n transform: translateY(-200%)\n transition: transform 300ms ease-in-out\n\n &:focus-within\n transform: translateY(0%)\n\narticle\n color: var(--color-content-foreground)\n background: var(--color-content-background)\n overflow-wrap: break-word\n\n.page\n display: flex\n // fill the viewport for pages with little content.\n min-height: 100%\n\n.mobile-header\n width: 100%\n height: var(--header-height)\n background-color: var(--color-header-background)\n color: var(--color-header-text)\n border-bottom: 1px solid var(--color-header-border)\n\n // Looks like sub-script/super-script have this, and we need this to\n // be \"on top\" of those.\n z-index: 10\n\n // We don't show the header on large screens.\n display: none\n\n // Add shadow when scrolled\n &.scrolled\n border-bottom: none\n box-shadow: 0 0 0.2rem rgba(0, 0, 0, 0.1), 0 0.2rem 0.4rem rgba(0, 0, 0, 0.2)\n\n .header-center\n a\n color: var(--color-header-text)\n text-decoration: none\n\n.main\n display: flex\n flex: 1\n\n// Sidebar (left) also covers the entire left portion of screen.\n.sidebar-drawer\n box-sizing: border-box\n\n border-right: 1px solid var(--color-sidebar-background-border)\n background: var(--color-sidebar-background)\n\n display: flex\n justify-content: flex-end\n // These next two lines took me two days to figure out.\n width: calc((100% - #{$full-width}) / 2 + #{$sidebar-width})\n min-width: $sidebar-width\n\n// Scroll-along sidebars\n.sidebar-container,\n.toc-drawer\n box-sizing: border-box\n width: $sidebar-width\n\n.toc-drawer\n background: var(--color-toc-background)\n // See HACK described on top of this document\n padding-right: 1rem\n\n.sidebar-sticky,\n.toc-sticky\n position: sticky\n top: 0\n height: min(100%, 100vh)\n height: 100vh\n\n display: flex\n flex-direction: column\n\n.sidebar-scroll,\n.toc-scroll\n flex-grow: 1\n flex-shrink: 1\n\n overflow: auto\n scroll-behavior: smooth\n\n// Central items.\n.content\n padding: 0 $content-padding\n width: $content-width\n\n display: flex\n flex-direction: column\n justify-content: space-between\n\n.icon\n display: inline-block\n height: 1rem\n width: 1rem\n svg\n width: 100%\n height: 100%\n\n//\n// Accommodate announcement banner\n//\n.announcement\n background-color: var(--color-announcement-background)\n color: var(--color-announcement-text)\n\n height: var(--header-height)\n display: flex\n align-items: center\n overflow-x: auto\n & + .page\n min-height: calc(100% - var(--header-height))\n\n.announcement-content\n box-sizing: border-box\n padding: 0.5rem\n min-width: 100%\n white-space: nowrap\n text-align: center\n\n a\n color: var(--color-announcement-text)\n text-decoration-color: var(--color-announcement-text)\n\n &:hover\n color: var(--color-announcement-text)\n text-decoration-color: var(--color-link--hover)\n\n////////////////////////////////////////////////////////////////////////////////\n// Toggles for theme\n////////////////////////////////////////////////////////////////////////////////\n.no-js .theme-toggle-container // don't show theme toggle if there's no JS\n display: none\n\n.theme-toggle-container\n display: flex\n\n.theme-toggle\n display: flex\n cursor: pointer\n border: none\n padding: 0\n background: transparent\n\n.theme-toggle svg\n height: 1.25rem\n width: 1.25rem\n color: var(--color-foreground-primary)\n display: none\n\n.theme-toggle-header\n display: flex\n align-items: center\n justify-content: center\n\n////////////////////////////////////////////////////////////////////////////////\n// Toggles for elements\n////////////////////////////////////////////////////////////////////////////////\n.toc-overlay-icon, .nav-overlay-icon\n display: none\n cursor: pointer\n\n .icon\n color: var(--color-foreground-secondary)\n height: 1.5rem\n width: 1.5rem\n\n.toc-header-icon, .nav-overlay-icon\n // for when we set display: flex\n justify-content: center\n align-items: center\n\n.toc-content-icon\n height: 1.5rem\n width: 1.5rem\n\n.content-icon-container\n float: right\n display: flex\n margin-top: 1.5rem\n margin-left: 1rem\n margin-bottom: 1rem\n gap: 0.5rem\n\n .edit-this-page, .view-this-page\n svg\n color: inherit\n height: 1.25rem\n width: 1.25rem\n\n.sidebar-toggle\n position: absolute\n display: none\n// \n.sidebar-toggle[name=\"__toc\"]\n left: 20px\n.sidebar-toggle:checked\n left: 40px\n// \n\n.overlay\n position: fixed\n top: 0\n width: 0\n height: 0\n\n transition: width 0ms, height 0ms, opacity 250ms ease-out\n\n opacity: 0\n background-color: rgba(0, 0, 0, 0.54)\n.sidebar-overlay\n z-index: 20\n.toc-overlay\n z-index: 40\n\n// Keep things on top and smooth.\n.sidebar-drawer\n z-index: 30\n transition: left 250ms ease-in-out\n.toc-drawer\n z-index: 50\n transition: right 250ms ease-in-out\n\n// Show the Sidebar\n#__navigation:checked\n & ~ .sidebar-overlay\n width: 100%\n height: 100%\n opacity: 1\n & ~ .page\n .sidebar-drawer\n top: 0\n left: 0\n // Show the toc sidebar\n#__toc:checked\n & ~ .toc-overlay\n width: 100%\n height: 100%\n opacity: 1\n & ~ .page\n .toc-drawer\n top: 0\n right: 0\n\n////////////////////////////////////////////////////////////////////////////////\n// Back to top\n////////////////////////////////////////////////////////////////////////////////\n.back-to-top\n text-decoration: none\n\n display: none\n position: fixed\n left: 0\n top: 1rem\n padding: 0.5rem\n padding-right: 0.75rem\n border-radius: 1rem\n font-size: 0.8125rem\n\n background: var(--color-background-primary)\n box-shadow: 0 0.2rem 0.5rem rgba(0, 0, 0, 0.05), #6b728080 0px 0px 1px 0px\n\n z-index: 10\n\n margin-left: 50%\n transform: translateX(-50%)\n svg\n height: 1rem\n width: 1rem\n fill: currentColor\n display: inline-block\n\n span\n margin-left: 0.25rem\n\n .show-back-to-top &\n display: flex\n align-items: center\n\n////////////////////////////////////////////////////////////////////////////////\n// Responsive layouting\n////////////////////////////////////////////////////////////////////////////////\n// Make things a bit bigger on bigger screens.\n@media (min-width: $full-width + $sidebar-width)\n html\n font-size: 110%\n\n@media (max-width: $full-width)\n // Collapse \"toc\" into the icon.\n .toc-content-icon\n display: flex\n .toc-drawer\n position: fixed\n height: 100vh\n top: 0\n right: -$sidebar-width\n border-left: 1px solid var(--color-background-muted)\n .toc-tree\n border-left: none\n font-size: var(--toc-font-size--mobile)\n\n // Accomodate for a changed content width.\n .sidebar-drawer\n width: calc((100% - #{$full-width - $sidebar-width}) / 2 + #{$sidebar-width})\n\n@media (max-width: $content-padded-width + $sidebar-width)\n // Center the page\n .content\n margin-left: auto\n margin-right: auto\n padding: 0 $content-padding--small\n\n@media (max-width: $content-padded-width--small + $sidebar-width)\n // Collapse \"navigation\".\n .nav-overlay-icon\n display: flex\n .sidebar-drawer\n position: fixed\n height: 100vh\n width: $sidebar-width\n\n top: 0\n left: -$sidebar-width\n\n // Swap which icon is visible.\n .toc-header-icon, .theme-toggle-header\n display: flex\n .toc-content-icon, .theme-toggle-content\n display: none\n\n // Show the header.\n .mobile-header\n position: sticky\n top: 0\n display: flex\n justify-content: space-between\n align-items: center\n\n .header-left,\n .header-right\n display: flex\n height: var(--header-height)\n padding: 0 var(--header-padding)\n label\n height: 100%\n width: 100%\n user-select: none\n\n .nav-overlay-icon .icon,\n .theme-toggle svg\n height: 1.5rem\n width: 1.5rem\n\n // Add a scroll margin for the content\n :target\n scroll-margin-top: calc(var(--header-height) + 2.5rem)\n\n // Show back-to-top below the header\n .back-to-top\n top: calc(var(--header-height) + 0.5rem)\n\n // Accommodate for the header.\n .page\n flex-direction: column\n justify-content: center\n\n@media (max-width: $content-width + 2* $content-padding--small)\n // Content should respect window limits.\n .content\n width: 100%\n overflow-x: auto\n\n@media (max-width: $content-width)\n article[role=main] aside.sidebar\n float: none\n width: 100%\n margin: 1rem 0\n","@use \"sass:list\"\n@use \"../variables\" as *\n\n// The design here is strongly inspired by mkdocs-material.\n.admonition, .topic\n margin: 1rem auto\n padding: 0 0.5rem 0.5rem 0.5rem\n\n background: var(--color-admonition-background)\n\n border-radius: 0.2rem\n box-shadow: 0 0.2rem 0.5rem rgba(0, 0, 0, 0.05), 0 0 0.0625rem rgba(0, 0, 0, 0.1)\n\n font-size: var(--admonition-font-size)\n\n overflow: hidden\n page-break-inside: avoid\n\n // First element should have no margin, since the title has it.\n > :nth-child(2)\n margin-top: 0\n\n // Last item should have no margin, since we'll control that w/ padding\n > :last-child\n margin-bottom: 0\n\n.admonition p.admonition-title,\np.topic-title\n position: relative\n margin: 0 -0.5rem 0.5rem\n padding-left: 2rem\n padding-right: .5rem\n padding-top: .4rem\n padding-bottom: .4rem\n\n font-weight: 500\n font-size: var(--admonition-title-font-size)\n line-height: 1.3\n\n // Our fancy icon\n &::before\n content: \"\"\n position: absolute\n left: 0.5rem\n width: 1rem\n height: 1rem\n\n// Default styles\np.admonition-title\n background-color: var(--color-admonition-title-background)\n &::before\n background-color: var(--color-admonition-title)\n mask-image: var(--icon-admonition-default)\n mask-repeat: no-repeat\n\np.topic-title\n background-color: var(--color-topic-title-background)\n &::before\n background-color: var(--color-topic-title)\n mask-image: var(--icon-topic-default)\n mask-repeat: no-repeat\n\n//\n// Variants\n//\n.admonition\n border-left: 0.2rem solid var(--color-admonition-title)\n\n @each $type, $value in $admonitions\n &.#{$type}\n border-left-color: var(--color-admonition-title--#{$type})\n > .admonition-title\n background-color: var(--color-admonition-title-background--#{$type})\n &::before\n background-color: var(--color-admonition-title--#{$type})\n mask-image: var(--icon-#{list.nth($value, 2)})\n\n.admonition-todo > .admonition-title\n text-transform: uppercase\n","// This file stylizes the API documentation (stuff generated by autodoc). It's\n// deeply nested due to how autodoc structures the HTML without enough classes\n// to select the relevant items.\n\n// API docs!\ndl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple)\n // Tweak the spacing of all the things!\n dd\n margin-left: 2rem\n > :first-child\n margin-top: 0.125rem\n > :last-child\n margin-bottom: 0.75rem\n\n // This is used for the arguments\n .field-list\n margin-bottom: 0.75rem\n\n // \"Headings\" (like \"Parameters\" and \"Return\")\n > dt\n text-transform: uppercase\n font-size: var(--font-size--small)\n\n dd:empty\n margin-bottom: 0.5rem\n dd > ul\n margin-left: -1.2rem\n > li\n > p:nth-child(2)\n margin-top: 0\n // When the last-empty-paragraph follows a paragraph, it doesn't need\n // to augument the existing spacing.\n > p + p:last-child:empty\n margin-top: 0\n margin-bottom: 0\n\n // Colorize the elements\n > dt\n color: var(--color-api-overall)\n\n.sig:not(.sig-inline)\n font-weight: bold\n\n font-size: var(--api-font-size)\n font-family: var(--font-stack--monospace)\n\n margin-left: -0.25rem\n margin-right: -0.25rem\n padding-top: 0.25rem\n padding-bottom: 0.25rem\n padding-right: 0.5rem\n\n // These are intentionally em, to properly match the font size.\n padding-left: 3em\n text-indent: -2.5em\n\n border-radius: 0.25rem\n\n background: var(--color-api-background)\n transition: background 100ms ease-out\n\n &:hover\n background: var(--color-api-background-hover)\n\n // adjust the size of the [source] link on the right.\n a.reference\n .viewcode-link\n font-weight: normal\n width: 4.25rem\n\nem.property, span.property\n font-style: normal\n &:first-child\n color: var(--color-api-keyword)\n.sig-name\n color: var(--color-api-name)\n.sig-prename\n font-weight: normal\n color: var(--color-api-pre-name)\n.sig-paren\n color: var(--color-api-paren)\n.sig-param\n font-style: normal\n\ndiv.versionadded,\ndiv.versionchanged,\ndiv.deprecated,\ndiv.versionremoved\n border-left: 0.1875rem solid\n border-radius: 0.125rem\n\n padding-left: 0.75rem\n\n p\n margin-top: 0.125rem\n margin-bottom: 0.125rem\n\ndiv.versionadded\n border-color: var(--color-api-added-border)\n .versionmodified\n color: var(--color-api-added)\n\ndiv.versionchanged\n border-color: var(--color-api-changed-border)\n .versionmodified\n color: var(--color-api-changed)\n\ndiv.deprecated\n border-color: var(--color-api-deprecated-border)\n .versionmodified\n color: var(--color-api-deprecated)\n\ndiv.versionremoved\n border-color: var(--color-api-removed-border)\n .versionmodified\n color: var(--color-api-removed)\n\n// Align the [docs] and [source] to the right.\n.viewcode-link, .viewcode-back\n float: right\n text-align: right\n",".line-block\n margin-top: 0.5rem\n margin-bottom: 0.75rem\n .line-block\n margin-top: 0rem\n margin-bottom: 0rem\n padding-left: 1rem\n","// Captions\narticle p.caption,\ntable > caption,\n.code-block-caption\n font-size: var(--font-size--small)\n text-align: center\n\n// Caption above a TOCTree\n.toctree-wrapper.compound\n .caption, :not(.caption) > .caption-text\n font-size: var(--font-size--small)\n text-transform: uppercase\n\n text-align: initial\n margin-bottom: 0\n\n > ul\n margin-top: 0\n margin-bottom: 0\n","// Inline code\ncode.literal, .sig-inline\n background: var(--color-inline-code-background)\n border-radius: 0.2em\n // Make the font smaller, and use padding to recover.\n font-size: var(--font-size--small--2)\n padding: 0.1em 0.2em\n\n pre.literal-block &\n font-size: inherit\n padding: 0\n\n p &\n border: 1px solid var(--color-background-border)\n\n.sig-inline\n font-family: var(--font-stack--monospace)\n\n// Code and Literal Blocks\n$code-spacing-vertical: 0.625rem\n$code-spacing-horizontal: 0.875rem\n\n// Wraps every literal block + line numbers.\ndiv[class*=\" highlight-\"],\ndiv[class^=\"highlight-\"]\n margin: 1em 0\n display: flex\n\n .table-wrapper\n margin: 0\n padding: 0\n\npre\n margin: 0\n padding: 0\n overflow: auto\n\n // Needed to have more specificity than pygments' \"pre\" selector. :(\n article[role=\"main\"] .highlight &\n line-height: 1.5\n\n &.literal-block,\n .highlight &\n font-size: var(--code-font-size)\n padding: $code-spacing-vertical $code-spacing-horizontal\n\n // Make it look like all the other blocks.\n &.literal-block\n margin-top: 1rem\n margin-bottom: 1rem\n\n border-radius: 0.2rem\n background-color: var(--color-code-background)\n color: var(--color-code-foreground)\n\n// All code is always contained in this.\n.highlight\n width: 100%\n border-radius: 0.2rem\n\n // Make line numbers and prompts un-selectable.\n .gp, span.linenos\n user-select: none\n pointer-events: none\n\n // Expand the line-highlighting.\n .hll\n display: block\n margin-left: -$code-spacing-horizontal\n margin-right: -$code-spacing-horizontal\n padding-left: $code-spacing-horizontal\n padding-right: $code-spacing-horizontal\n\n/* Make code block captions be nicely integrated */\n.code-block-caption\n display: flex\n padding: $code-spacing-vertical $code-spacing-horizontal\n\n border-radius: 0.25rem\n border-bottom-left-radius: 0\n border-bottom-right-radius: 0\n font-weight: 300\n border-bottom: 1px solid\n\n background-color: var(--color-code-background)\n color: var(--color-code-foreground)\n border-color: var(--color-background-border)\n\n + div[class]\n margin-top: 0\n > .highlight\n border-top-left-radius: 0\n border-top-right-radius: 0\n\n// When `html_codeblock_linenos_style` is table.\n.highlighttable\n width: 100%\n display: block\n tbody\n display: block\n\n tr\n display: flex\n\n // Line numbers\n td.linenos\n background-color: var(--color-code-background)\n color: var(--color-code-foreground)\n padding: $code-spacing-vertical $code-spacing-horizontal\n padding-right: 0\n border-top-left-radius: 0.2rem\n border-bottom-left-radius: 0.2rem\n\n .linenodiv\n padding-right: $code-spacing-horizontal\n font-size: var(--code-font-size)\n box-shadow: -0.0625rem 0 var(--color-foreground-border) inset\n\n // Actual code\n td.code\n padding: 0\n display: block\n flex: 1\n overflow: hidden\n\n .highlight\n border-top-left-radius: 0\n border-bottom-left-radius: 0\n\n// When `html_codeblock_linenos_style` is inline.\n.highlight\n span.linenos\n display: inline-block\n padding-left: 0\n padding-right: $code-spacing-horizontal\n margin-right: $code-spacing-horizontal\n box-shadow: -0.0625rem 0 var(--color-foreground-border) inset\n","// Inline Footnote Reference\n.footnote-reference\n font-size: var(--font-size--small--4)\n vertical-align: super\n\n// Definition list, listing the content of each note.\n// docutils <= 0.17\ndl.footnote.brackets\n font-size: var(--font-size--small)\n color: var(--color-foreground-secondary)\n\n display: grid\n grid-template-columns: max-content auto\n dt\n margin: 0\n > .fn-backref\n margin-left: 0.25rem\n\n &:after\n content: \":\"\n\n .brackets\n &:before\n content: \"[\"\n &:after\n content: \"]\"\n\n dd\n margin: 0\n padding: 0 1rem\n\n// docutils >= 0.18\naside.footnote\n font-size: var(--font-size--small)\n color: var(--color-foreground-secondary)\n\naside.footnote > span,\ndiv.citation > span\n float: left\n font-weight: 500\n padding-right: 0.25rem\n\naside.footnote > *:not(span),\ndiv.citation > p\n margin-left: 2rem\n","//\n// Figures\n//\nimg\n box-sizing: border-box\n max-width: 100%\n height: auto\n\narticle\n figure, .figure\n border-radius: 0.2rem\n\n margin: 0\n :last-child\n margin-bottom: 0\n\n .align-left\n float: left\n clear: left\n margin: 0 1rem 1rem\n\n .align-right\n float: right\n clear: right\n margin: 0 1rem 1rem\n\n .align-default,\n .align-center\n display: block\n text-align: center\n margin-left: auto\n margin-right: auto\n\n // WELL, table needs to be stylised like a table.\n table.align-default\n display: table\n text-align: initial\n",".genindex-jumpbox, .domainindex-jumpbox\n border-top: 1px solid var(--color-background-border)\n border-bottom: 1px solid var(--color-background-border)\n padding: 0.25rem\n\n.genindex-section, .domainindex-section\n h2\n margin-top: 0.75rem\n margin-bottom: 0.5rem\n ul\n margin-top: 0\n margin-bottom: 0\n","ul,\nol\n padding-left: 1.2rem\n\n // Space lists out like paragraphs\n margin-top: 1rem\n margin-bottom: 1rem\n // reduce margins within li.\n li\n > p:first-child\n margin-top: 0.25rem\n margin-bottom: 0.25rem\n\n > p:last-child\n margin-top: 0.25rem\n\n > ul,\n > ol\n margin-top: 0.5rem\n margin-bottom: 0.5rem\n\nol\n &.arabic\n list-style: decimal\n &.loweralpha\n list-style: lower-alpha\n &.upperalpha\n list-style: upper-alpha\n &.lowerroman\n list-style: lower-roman\n &.upperroman\n list-style: upper-roman\n\n// Don't space lists out when they're \"simple\" or in a `.. toctree::`\n.simple,\n.toctree-wrapper\n li\n > ul,\n > ol\n margin-top: 0\n margin-bottom: 0\n\n// Definition Lists\n.field-list,\n.option-list,\ndl:not([class]),\ndl.simple,\ndl.footnote,\ndl.glossary\n dt\n font-weight: 500\n margin-top: 0.25rem\n + dt\n margin-top: 0\n\n .classifier::before\n content: \":\"\n margin-left: 0.2rem\n margin-right: 0.2rem\n\n dd\n > p:first-child,\n ul\n margin-top: 0.125rem\n\n ul\n margin-bottom: 0.125rem\n",".math-wrapper\n width: 100%\n overflow-x: auto\n\ndiv.math\n position: relative\n text-align: center\n\n .headerlink,\n &:focus .headerlink\n display: none\n\n &:hover .headerlink\n display: inline-block\n\n span.eqno\n position: absolute\n right: 0.5rem\n top: 50%\n transform: translate(0, -50%)\n z-index: 1\n","// Abbreviations\nabbr[title]\n cursor: help\n\n// \"Problematic\" content, as identified by Sphinx\n.problematic\n color: var(--color-problematic)\n\n// Keyboard / Mouse \"instructions\"\nkbd:not(.compound)\n margin: 0 0.2rem\n padding: 0 0.2rem\n border-radius: 0.2rem\n border: 1px solid var(--color-foreground-border)\n color: var(--color-foreground-primary)\n vertical-align: text-bottom\n\n font-size: var(--font-size--small--3)\n display: inline-block\n\n box-shadow: 0 0.0625rem 0 rgba(0, 0, 0, 0.2), inset 0 0 0 0.125rem var(--color-background-primary)\n\n background-color: var(--color-background-secondary)\n\n// Blockquote\nblockquote\n border-left: 4px solid var(--color-background-border)\n background: var(--color-background-secondary)\n\n margin-left: 0\n margin-right: 0\n padding: 0.5rem 1rem\n\n .attribution\n font-weight: 600\n text-align: right\n\n &.pull-quote,\n &.highlights\n font-size: 1.25em\n\n &.epigraph,\n &.pull-quote\n border-left-width: 0\n border-radius: 0.5rem\n\n &.highlights\n border-left-width: 0\n background: transparent\n\n// Center align embedded-in-text images\np .reference img\n vertical-align: middle\n","p.rubric\n line-height: 1.25\n font-weight: bold\n font-size: 1.125em\n\n // For Numpy-style documentation that's got rubrics within it.\n // https://github.com/pradyunsg/furo/discussions/505\n dd &\n line-height: inherit\n font-weight: inherit\n\n font-size: var(--font-size--small)\n text-transform: uppercase\n","article .sidebar\n float: right\n clear: right\n width: 30%\n\n margin-left: 1rem\n margin-right: 0\n\n border-radius: 0.2rem\n background-color: var(--color-background-secondary)\n border: var(--color-background-border) 1px solid\n\n > *\n padding-left: 1rem\n padding-right: 1rem\n\n > ul, > ol // lists need additional padding, because bullets.\n padding-left: 2.2rem\n\n .sidebar-title\n margin: 0\n padding: 0.5rem 1rem\n border-bottom: var(--color-background-border) 1px solid\n\n font-weight: 500\n\n// TODO: subtitle\n// TODO: dedicated variables?\n","[role=main] .table-wrapper.container\n width: 100%\n overflow-x: auto\n margin-top: 1rem\n margin-bottom: 0.5rem\n padding: 0.2rem 0.2rem 0.75rem\n\ntable.docutils\n border-radius: 0.2rem\n border-spacing: 0\n border-collapse: collapse\n\n box-shadow: 0 0.2rem 0.5rem rgba(0, 0, 0, 0.05), 0 0 0.0625rem rgba(0, 0, 0, 0.1)\n\n th\n background: var(--color-table-header-background)\n\n td,\n th\n // Space things out properly\n padding: 0 0.25rem\n\n // Get the borders looking just-right.\n border-left: 1px solid var(--color-table-border)\n border-right: 1px solid var(--color-table-border)\n border-bottom: 1px solid var(--color-table-border)\n\n p\n margin: 0.25rem\n\n &:first-child\n border-left: none\n &:last-child\n border-right: none\n\n // MyST-parser tables set these classes for control of column alignment\n &.text-left\n text-align: left\n &.text-right\n text-align: right\n &.text-center\n text-align: center\n","@use \"../variables\" as *\n\n:target\n scroll-margin-top: 2.5rem\n\n@media (max-width: $full-width - $sidebar-width)\n :target\n scroll-margin-top: calc(2.5rem + var(--header-height))\n\n // When a heading is selected\n section > span:target\n scroll-margin-top: calc(2.8rem + var(--header-height))\n\n// Permalinks\n.headerlink\n font-weight: 100\n user-select: none\n\nh1,\nh2,\nh3,\nh4,\nh5,\nh6,\ndl dt,\np.caption,\nfigcaption p,\ntable > caption,\n.code-block-caption\n > .headerlink\n margin-left: 0.5rem\n visibility: hidden\n &:hover > .headerlink\n visibility: visible\n\n // Don't change to link-like, if someone adds the contents directive.\n > .toc-backref\n color: inherit\n text-decoration-line: none\n\n// Figure and table captions are special.\nfigure:hover > figcaption > p > .headerlink,\ntable:hover > caption > .headerlink\n visibility: visible\n\n:target >, // Regular section[id] style anchors\nspan:target ~ // Non-regular span[id] style \"extra\" anchors\n h1,\n h2,\n h3,\n h4,\n h5,\n h6\n &:nth-of-type(1)\n background-color: var(--color-highlight-on-target)\n // .headerlink\n // visibility: visible\n code.literal\n background-color: transparent\n\ntable:target > caption,\nfigure:target\n background-color: var(--color-highlight-on-target)\n\n// Inline page contents\n.this-will-duplicate-information-and-it-is-still-useful-here li :target\n background-color: var(--color-highlight-on-target)\n\n// Code block permalinks\n.literal-block-wrapper:target .code-block-caption\n background-color: var(--color-highlight-on-target)\n\n// When a definition list item is selected\n//\n// There isn't really an alternative to !important here, due to the\n// high-specificity of API documentation's selector.\ndt:target\n background-color: var(--color-highlight-on-target) !important\n\n// When a footnote reference is selected\n.footnote > dt:target + dd,\n.footnote-reference:target\n background-color: var(--color-highlight-on-target)\n",".guilabel\n background-color: var(--color-guilabel-background)\n border: 1px solid var(--color-guilabel-border)\n color: var(--color-guilabel-text)\n\n padding: 0 0.3em\n border-radius: 0.5em\n font-size: 0.9em\n","// This file contains the styles used for stylizing the footer that's shown\n// below the content.\n@use \"../variables\" as *\n\nfooter\n font-size: var(--font-size--small)\n display: flex\n flex-direction: column\n\n margin-top: 2rem\n\n// Bottom of page information\n.bottom-of-page\n display: flex\n align-items: center\n justify-content: space-between\n\n margin-top: 1rem\n padding-top: 1rem\n padding-bottom: 1rem\n\n color: var(--color-foreground-secondary)\n border-top: 1px solid var(--color-background-border)\n\n line-height: 1.5\n\n @media (max-width: $content-width)\n text-align: center\n flex-direction: column-reverse\n gap: 0.25rem\n\n .left-details\n font-size: var(--font-size--small)\n\n .right-details\n display: flex\n flex-direction: column\n gap: 0.25rem\n text-align: right\n\n .icons\n display: flex\n justify-content: flex-end\n gap: 0.25rem\n font-size: 1rem\n\n a\n text-decoration: none\n\n svg,\n img\n font-size: 1.125rem\n height: 1em\n width: 1em\n\n// Next/Prev page information\n.related-pages\n a\n display: flex\n align-items: center\n\n text-decoration: none\n &:hover .page-info .title\n text-decoration: underline\n color: var(--color-link)\n text-decoration-color: var(--color-link-underline)\n\n svg.furo-related-icon,\n svg.furo-related-icon > use\n flex-shrink: 0\n\n color: var(--color-foreground-border)\n\n width: 0.75rem\n height: 0.75rem\n margin: 0 0.5rem\n\n &.next-page\n max-width: 50%\n\n float: right\n clear: right\n text-align: right\n\n &.prev-page\n max-width: 50%\n\n float: left\n clear: left\n\n svg\n transform: rotate(180deg)\n\n.page-info\n display: flex\n flex-direction: column\n overflow-wrap: anywhere\n\n .next-page &\n align-items: flex-end\n\n .context\n display: flex\n align-items: center\n\n padding-bottom: 0.1rem\n\n color: var(--color-foreground-muted)\n font-size: var(--font-size--small)\n text-decoration: none\n","// This file contains the styles for the contents of the left sidebar, which\n// contains the navigation tree, logo, search etc.\n\n////////////////////////////////////////////////////////////////////////////////\n// Brand on top of the scrollable tree.\n////////////////////////////////////////////////////////////////////////////////\n.sidebar-brand\n display: flex\n flex-direction: column\n flex-shrink: 0\n\n padding: var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal)\n text-decoration: none\n\n.sidebar-brand-text\n color: var(--color-sidebar-brand-text)\n overflow-wrap: break-word\n margin: var(--sidebar-item-spacing-vertical) 0\n font-size: 1.5rem\n\n.sidebar-logo-container\n margin: var(--sidebar-item-spacing-vertical) 0\n\n.sidebar-logo\n margin: 0 auto\n display: block\n max-width: 100%\n\n////////////////////////////////////////////////////////////////////////////////\n// Search\n////////////////////////////////////////////////////////////////////////////////\n.sidebar-search-container\n display: flex\n align-items: center\n margin-top: var(--sidebar-search-space-above)\n\n position: relative\n\n background: var(--color-sidebar-search-background)\n &:hover,\n &:focus-within\n background: var(--color-sidebar-search-background--focus)\n\n &::before\n content: \"\"\n position: absolute\n left: var(--sidebar-item-spacing-horizontal)\n width: var(--sidebar-search-icon-size)\n height: var(--sidebar-search-icon-size)\n\n background-color: var(--color-sidebar-search-icon)\n mask-image: var(--icon-search)\n\n.sidebar-search\n box-sizing: border-box\n\n border: none\n border-top: 1px solid var(--color-sidebar-search-border)\n border-bottom: 1px solid var(--color-sidebar-search-border)\n\n padding-top: var(--sidebar-search-input-spacing-vertical)\n padding-bottom: var(--sidebar-search-input-spacing-vertical)\n padding-right: var(--sidebar-search-input-spacing-horizontal)\n padding-left: calc(var(--sidebar-item-spacing-horizontal) + var(--sidebar-search-input-spacing-horizontal) + var(--sidebar-search-icon-size))\n\n width: 100%\n\n color: var(--color-sidebar-search-foreground)\n background: transparent\n z-index: 10\n\n &:focus\n outline: none\n\n &::placeholder\n font-size: var(--sidebar-search-input-font-size)\n\n//\n// Hide Search Matches link\n//\n#searchbox .highlight-link\n padding: var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal) 0\n margin: 0\n text-align: center\n\n a\n color: var(--color-sidebar-search-icon)\n font-size: var(--font-size--small--2)\n\n////////////////////////////////////////////////////////////////////////////////\n// Structure/Skeleton of the navigation tree (left)\n////////////////////////////////////////////////////////////////////////////////\n.sidebar-tree\n font-size: var(--sidebar-item-font-size)\n margin-top: var(--sidebar-tree-space-above)\n margin-bottom: var(--sidebar-item-spacing-vertical)\n\n ul\n padding: 0\n margin-top: 0\n margin-bottom: 0\n\n display: flex\n flex-direction: column\n\n list-style: none\n\n li\n position: relative\n margin: 0\n\n > ul\n margin-left: var(--sidebar-item-spacing-horizontal)\n\n .icon\n color: var(--color-sidebar-link-text)\n\n .reference\n box-sizing: border-box\n color: var(--color-sidebar-link-text)\n\n // Fill the parent.\n display: inline-block\n line-height: var(--sidebar-item-line-height)\n text-decoration: none\n\n // Don't allow long words to cause wrapping.\n overflow-wrap: anywhere\n\n height: 100%\n width: 100%\n\n padding: var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal)\n\n &:hover\n color: var(--color-sidebar-link-text)\n background: var(--color-sidebar-item-background--hover)\n\n // Add a nice little \"external-link\" arrow here.\n &.external::after\n content: url('data:image/svg+xml,')\n margin: 0 0.25rem\n vertical-align: middle\n color: var(--color-sidebar-link-text)\n\n // Make the current page reference bold.\n .current-page > .reference\n font-weight: bold\n\n label\n position: absolute\n top: 0\n right: 0\n height: var(--sidebar-item-height)\n width: var(--sidebar-expander-width)\n\n cursor: pointer\n user-select: none\n\n display: flex\n justify-content: center\n align-items: center\n\n .caption, :not(.caption) > .caption-text\n font-size: var(--sidebar-caption-font-size)\n color: var(--color-sidebar-caption-text)\n\n font-weight: bold\n text-transform: uppercase\n\n margin: var(--sidebar-caption-space-above) 0 0 0\n padding: var(--sidebar-item-spacing-vertical) var(--sidebar-item-spacing-horizontal)\n\n // If it has children, add a bit more padding to wrap the content to avoid\n // overlapping with the
-
- -{{ fullname | escape | underline}} - -.. currentmodule:: {{ module }} - -.. auto{{ objtype }}:: {{ objname }} diff --git a/docs/_templates/autosummary/class.rst b/docs/_templates/autosummary/class.rst deleted file mode 100644 index 176cfe70d..000000000 --- a/docs/_templates/autosummary/class.rst +++ /dev/null @@ -1,34 +0,0 @@ -.. raw:: html - -
-
- -{{ fullname | escape | underline}} - -.. currentmodule:: {{ module }} - -.. autoclass:: {{ objname }} - - {% block methods %} - - {% if methods %} - .. rubric:: Methods - - .. autosummary:: - :toctree: ./ - {% for item in methods %} - ~{{ name }}.{{ item }} - {%- endfor %} - {% endif %} - {% endblock %} - - {% block attributes %} - {% if attributes %} - .. rubric:: Attributes - - .. autosummary:: - {% for item in attributes %} - ~{{ name }}.{{ item }} - {%- endfor %} - {% endif %} - {% endblock %} \ No newline at end of file diff --git a/docs/api/index.md b/docs/api/index.md deleted file mode 100644 index f3fae50e3..000000000 --- a/docs/api/index.md +++ /dev/null @@ -1,14 +0,0 @@ -# API - -All functions and classes in FeOS are exported at the package root. Here, they are grouped by application: - -```{eval-rst} -.. toctree:: - :maxdepth: 2 - - parameters - eos - dft - ad - thread_pool -``` diff --git a/docs/api/thread_pool.md b/docs/api/thread_pool.md deleted file mode 100644 index 4a3ef95d2..000000000 --- a/docs/api/thread_pool.md +++ /dev/null @@ -1,38 +0,0 @@ -# Global thread pool - -Several functions in `feos` use [Rayon](https://github.com/rayon-rs/rayon) for parallelism. -By default, Rayon uses all logical CPUs available on your machine, which is usually what you want when working on your local machine. -In other environments, for example HPC clusters, you may want to limit the number of threads to match your job allocation. - -There are three ways to configure this, in order of priority: - -- `FEOS_MAX_THREADS` environment variable: for HPC or "script" environments, defined before launching Python -- `feos.set_num_threads()`: for interactive use, at the top of a script or notebook -- Do nothing: local machines where using all cores is fine - -You can get the number of threads configured via `feos.get_num_threads()`. - -## Important -- The thread pool can only be configured **once** per Python process. -- Whichever method runs first wins. Any later attempt to change it will have no effect and a warning will be emitted. -- Calling `get_num_threads` without setting `FEOS_MAX_THREADS` or `set_num_threads` will initialze the thread pool with the default (all logical CPUs). -- To test the different behaviour in a notebook, you have to restart the kernel and start from the respective cell you want to test. - -## Example Usage - -```python -import feos - -feos.set_num_threads(4) -print(f"Active threads: {feos.get_num_threads()}") -``` - -```{eval-rst} -.. currentmodule:: feos - -.. autosummary:: - :toctree: generated/ - - set_num_threads - get_num_threads -``` diff --git a/docs/conf.py b/docs/conf.py deleted file mode 100644 index 5fb6772d5..000000000 --- a/docs/conf.py +++ /dev/null @@ -1,46 +0,0 @@ -import os -import sys -import feos - -sys.path.append(os.path.abspath(os.path.join(__file__, "../.."))) -sys.path.insert(0, os.path.abspath('.')) - - -# -- Project information ----------------------------------------------------- - -project = 'feos' -copyright = '2022, Gernot Bauer, Philipp Rehner' -author = 'Gernot Bauer, Philipp Rehner' - -extensions = [ - 'sphinx.ext.autodoc', - 'sphinx.ext.autosummary', - 'sphinx.ext.doctest', - 'sphinx.ext.mathjax', - 'sphinx.ext.githubpages', - 'sphinx.ext.napoleon', - 'nbsphinx', - 'myst_parser', - 'sphinx_copybutton', - 'sphinx_design', - 'sphinx_inline_tabs', -] - -# -- Options for Markdown files ---------------------------------------------- -myst_enable_extensions = [ - "colon_fence", - "deflist", - "dollarmath" -] -myst_heading_anchors = 3 - -napoleon_numpy_docstring = True -autodoc_typehints = "both" -autosummary_generate = True -templates_path = ['_templates'] -exclude_patterns = ['_build', 'Thumbs.db', '.DS_Store', '**.ipynb_checkpoints'] - -# -- Options for HTML output ------------------------------------------------- -html_theme = 'furo' -html_title = f'FeOs v{feos.__version__}' - diff --git a/examples/data/hexane_nist.csv b/examples/data/hexane_nist.csv deleted file mode 100644 index 2e4b73acc..000000000 --- a/examples/data/hexane_nist.csv +++ /dev/null @@ -1,104 +0,0 @@ -Temperature (K) Pressure (MPa) Density (mol/m3) Volume (m3/mol) Internal Energy (kJ/mol) Enthalpy (kJ/mol) Entropy (J/mol*K) Cv (J/mol*K) Cp (J/mol*K) Sound Spd. (m/s) Joule-Thomson (K/MPa) Viscosity (Pa*s) Therm. Cond. (W/m*K) Phase -450.00 0.010000 2.6774 0.37350 45.229 48.964 154.33 193.37 201.76 212.47 11.204 9.4340e-06 0.029374 vapor -450.00 0.11000 29.984 0.033351 45.065 48.734 134.03 193.94 203.09 209.04 11.510 9.4218e-06 0.029276 vapor -450.00 0.21000 58.329 0.017144 44.896 48.496 128.27 194.53 204.55 205.48 11.842 9.4339e-06 0.029196 vapor -450.00 0.31000 87.826 0.011386 44.720 48.249 124.64 195.15 206.15 201.76 12.207 9.4759e-06 0.029136 vapor -450.00 0.41000 118.61 0.0084312 44.536 47.992 121.90 195.80 207.93 197.87 12.608 9.5515e-06 0.029098 vapor -450.00 0.51000 150.84 0.0066297 44.343 47.724 119.64 196.49 209.93 193.78 13.053 9.6600e-06 0.029086 vapor -450.00 0.61000 184.71 0.0054138 44.141 47.444 117.69 197.21 212.19 189.48 13.550 9.7984e-06 0.029103 vapor -450.00 0.71000 220.48 0.0045355 43.929 47.149 115.93 197.98 214.78 184.92 14.112 9.9619e-06 0.029156 vapor -450.00 0.81000 258.46 0.0038690 43.703 46.837 114.31 198.80 217.79 180.06 14.755 1.0146e-05 0.029250 vapor -450.00 0.91000 299.06 0.0033438 43.462 46.505 112.77 199.67 221.34 174.84 15.501 1.0348e-05 0.029397 vapor -450.00 1.0100 342.84 0.0029168 43.203 46.149 111.29 200.60 225.65 169.19 16.381 1.0565e-05 0.029609 vapor -450.00 1.1100 390.57 0.0025603 42.921 45.763 109.82 201.61 231.03 163.00 17.447 1.0798e-05 0.029907 vapor -450.00 1.2100 443.42 0.0022552 42.611 45.339 108.34 202.71 238.04 156.09 18.779 1.1050e-05 0.030324 vapor -450.00 1.2329 456.42 0.0021910 42.534 45.236 108.00 202.97 239.97 154.38 19.134 1.1111e-05 0.030442 vapor -450.00 1.2329 5569.7 0.00017954 25.744 25.965 65.177 204.59 276.67 409.02 0.48292 8.2036e-05 0.084655 liquid -450.00 1.3100 5576.9 0.00017931 25.720 25.955 65.123 204.56 276.12 411.64 0.47103 8.2329e-05 0.084750 liquid -450.00 1.4100 5586.1 0.00017902 25.690 25.942 65.055 204.52 275.45 414.98 0.45614 8.2705e-05 0.084872 liquid -450.00 1.5100 5595.1 0.00017873 25.660 25.930 64.988 204.49 274.79 418.27 0.44183 8.3076e-05 0.084993 liquid -450.00 1.6100 5603.9 0.00017845 25.630 25.918 64.922 204.45 274.17 421.51 0.42804 8.3443e-05 0.085113 liquid -450.00 1.7100 5612.6 0.00017817 25.601 25.906 64.856 204.41 273.56 424.70 0.41477 8.3805e-05 0.085231 liquid -450.00 1.8100 5621.1 0.00017790 25.573 25.895 64.792 204.38 272.98 427.84 0.40196 8.4163e-05 0.085348 liquid -450.00 1.9100 5629.5 0.00017763 25.545 25.884 64.729 204.34 272.42 430.93 0.38960 8.4518e-05 0.085464 liquid -450.00 2.0100 5637.8 0.00017737 25.517 25.874 64.666 204.31 271.88 433.98 0.37767 8.4868e-05 0.085579 liquid -450.00 2.1100 5645.9 0.00017712 25.490 25.864 64.604 204.28 271.35 436.99 0.36612 8.5215e-05 0.085693 liquid -450.00 2.2100 5653.9 0.00017687 25.463 25.854 64.543 204.25 270.85 439.96 0.35496 8.5558e-05 0.085806 liquid -450.00 2.3100 5661.8 0.00017662 25.436 25.844 64.483 204.22 270.36 442.88 0.34415 8.5897e-05 0.085918 liquid -450.00 2.4100 5669.6 0.00017638 25.410 25.835 64.423 204.19 269.88 445.77 0.33368 8.6233e-05 0.086029 liquid -450.00 2.5100 5677.3 0.00017614 25.384 25.826 64.364 204.16 269.42 448.62 0.32353 8.6566e-05 0.086139 liquid -450.00 2.6100 5684.8 0.00017591 25.359 25.818 64.306 204.13 268.98 451.44 0.31368 8.6896e-05 0.086248 liquid -450.00 2.7100 5692.3 0.00017568 25.333 25.809 64.249 204.11 268.55 454.22 0.30413 8.7223e-05 0.086356 liquid -450.00 2.8100 5699.6 0.00017545 25.308 25.801 64.192 204.08 268.13 456.97 0.29485 8.7547e-05 0.086464 liquid -450.00 2.9100 5706.9 0.00017523 25.284 25.794 64.136 204.05 267.72 459.69 0.28583 8.7868e-05 0.086570 liquid -450.00 3.0100 5714.0 0.00017501 25.259 25.786 64.080 204.03 267.32 462.37 0.27707 8.8187e-05 0.086676 liquid -450.00 3.1100 5721.1 0.00017479 25.235 25.779 64.025 204.00 266.93 465.03 0.26854 8.8502e-05 0.086781 liquid -450.00 3.2100 5728.1 0.00017458 25.211 25.772 63.970 203.98 266.56 467.65 0.26025 8.8815e-05 0.086885 liquid -450.00 3.3100 5735.0 0.00017437 25.188 25.765 63.916 203.96 266.19 470.25 0.25217 8.9126e-05 0.086988 liquid -450.00 3.4100 5741.8 0.00017416 25.164 25.758 63.863 203.94 265.84 472.82 0.24430 8.9434e-05 0.087091 liquid -450.00 3.5100 5748.5 0.00017396 25.141 25.752 63.810 203.91 265.49 475.36 0.23664 8.9740e-05 0.087193 liquid -450.00 3.6100 5755.1 0.00017376 25.119 25.746 63.758 203.89 265.15 477.87 0.22916 9.0043e-05 0.087294 liquid -450.00 3.7100 5761.7 0.00017356 25.096 25.740 63.706 203.87 264.82 480.36 0.22188 9.0344e-05 0.087395 liquid -450.00 3.8100 5768.2 0.00017336 25.074 25.734 63.655 203.85 264.50 482.83 0.21477 9.0643e-05 0.087494 liquid -450.00 3.9100 5774.6 0.00017317 25.051 25.728 63.604 203.83 264.19 485.27 0.20783 9.0940e-05 0.087594 liquid -450.00 4.0100 5781.0 0.00017298 25.029 25.723 63.553 203.81 263.88 487.69 0.20105 9.1235e-05 0.087692 liquid -450.00 4.1100 5787.3 0.00017279 25.008 25.718 63.503 203.79 263.58 490.08 0.19444 9.1528e-05 0.087790 liquid -450.00 4.2100 5793.5 0.00017261 24.986 25.713 63.454 203.78 263.29 492.46 0.18797 9.1818e-05 0.087887 liquid -450.00 4.3100 5799.6 0.00017242 24.965 25.708 63.404 203.76 263.00 494.81 0.18165 9.2107e-05 0.087984 liquid -450.00 4.4100 5805.7 0.00017224 24.944 25.703 63.356 203.74 262.72 497.14 0.17547 9.2394e-05 0.088080 liquid -450.00 4.5100 5811.7 0.00017207 24.923 25.699 63.307 203.72 262.45 499.44 0.16943 9.2679e-05 0.088176 liquid -450.00 4.6100 5817.7 0.00017189 24.902 25.694 63.259 203.71 262.18 501.73 0.16352 9.2962e-05 0.088271 liquid -450.00 4.7100 5823.6 0.00017171 24.881 25.690 63.212 203.69 261.92 504.00 0.15774 9.3244e-05 0.088365 liquid -450.00 4.8100 5829.5 0.00017154 24.861 25.686 63.165 203.68 261.66 506.25 0.15207 9.3524e-05 0.088459 liquid -450.00 4.9100 5835.2 0.00017137 24.841 25.682 63.118 203.66 261.41 508.48 0.14653 9.3802e-05 0.088553 liquid -450.00 5.0100 5841.0 0.00017120 24.821 25.678 63.072 203.65 261.16 510.69 0.14110 9.4078e-05 0.088645 liquid -450.00 5.1100 5846.7 0.00017104 24.801 25.675 63.026 203.63 260.92 512.89 0.13578 9.4353e-05 0.088738 liquid -450.00 5.2100 5852.3 0.00017087 24.781 25.671 62.980 203.62 260.68 515.06 0.13057 9.4626e-05 0.088830 liquid -450.00 5.3100 5857.9 0.00017071 24.762 25.668 62.934 203.60 260.45 517.22 0.12546 9.4898e-05 0.088921 liquid -450.00 5.4100 5863.4 0.00017055 24.742 25.665 62.889 203.59 260.22 519.36 0.12045 9.5168e-05 0.089012 liquid -450.00 5.5100 5868.9 0.00017039 24.723 25.662 62.845 203.58 260.00 521.49 0.11553 9.5437e-05 0.089102 liquid -450.00 5.6100 5874.3 0.00017023 24.704 25.659 62.800 203.56 259.78 523.60 0.11071 9.5704e-05 0.089192 liquid -450.00 5.7100 5879.7 0.00017008 24.685 25.656 62.756 203.55 259.56 525.69 0.10599 9.5970e-05 0.089281 liquid -450.00 5.8100 5885.0 0.00016992 24.666 25.653 62.713 203.54 259.35 527.77 0.10135 9.6234e-05 0.089370 liquid -450.00 5.9100 5890.3 0.00016977 24.647 25.651 62.669 203.53 259.14 529.83 0.096793 9.6497e-05 0.089459 liquid -450.00 6.0100 5895.5 0.00016962 24.629 25.648 62.626 203.51 258.94 531.87 0.092322 9.6759e-05 0.089547 liquid -450.00 6.1100 5900.7 0.00016947 24.610 25.646 62.583 203.50 258.74 533.91 0.087931 9.7020e-05 0.089635 liquid -450.00 6.2100 5905.9 0.00016932 24.592 25.644 62.540 203.49 258.54 535.92 0.083620 9.7279e-05 0.089722 liquid -450.00 6.3100 5911.0 0.00016918 24.574 25.642 62.498 203.48 258.35 537.93 0.079384 9.7537e-05 0.089809 liquid -450.00 6.4100 5916.1 0.00016903 24.556 25.640 62.456 203.47 258.16 539.92 0.075222 9.7793e-05 0.089895 liquid -450.00 6.5100 5921.1 0.00016889 24.538 25.638 62.414 203.46 257.97 541.89 0.071132 9.8049e-05 0.089982 liquid -450.00 6.6100 5926.1 0.00016875 24.521 25.636 62.373 203.45 257.79 543.85 0.067112 9.8303e-05 0.090067 liquid -450.00 6.7100 5931.0 0.00016860 24.503 25.634 62.332 203.44 257.61 545.80 0.063160 9.8556e-05 0.090153 liquid -450.00 6.8100 5935.9 0.00016847 24.485 25.633 62.291 203.43 257.43 547.74 0.059274 9.8808e-05 0.090237 liquid -450.00 6.9100 5940.8 0.00016833 24.468 25.631 62.250 203.42 257.25 549.66 0.055453 9.9059e-05 0.090322 liquid -450.00 7.0100 5945.7 0.00016819 24.451 25.630 62.210 203.41 257.08 551.57 0.051694 9.9308e-05 0.090406 liquid -450.00 7.1100 5950.5 0.00016805 24.434 25.629 62.169 203.40 256.91 553.47 0.047997 9.9557e-05 0.090490 liquid -450.00 7.2100 5955.2 0.00016792 24.417 25.627 62.129 203.39 256.74 555.36 0.044359 9.9804e-05 0.090573 liquid -450.00 7.3100 5960.0 0.00016779 24.400 25.626 62.090 203.38 256.58 557.23 0.040779 0.00010005 0.090656 liquid -450.00 7.4100 5964.7 0.00016765 24.383 25.625 62.050 203.38 256.42 559.10 0.037255 0.00010030 0.090739 liquid -450.00 7.5100 5969.3 0.00016752 24.366 25.624 62.011 203.37 256.26 560.95 0.033787 0.00010054 0.090822 liquid -450.00 7.6100 5973.9 0.00016739 24.350 25.624 61.972 203.36 256.10 562.79 0.030372 0.00010078 0.090904 liquid -450.00 7.7100 5978.5 0.00016726 24.333 25.623 61.933 203.35 255.95 564.62 0.027010 0.00010103 0.090985 liquid -450.00 7.8100 5983.1 0.00016714 24.317 25.622 61.895 203.34 255.80 566.44 0.023698 0.00010127 0.091067 liquid -450.00 7.9100 5987.6 0.00016701 24.301 25.622 61.856 203.34 255.65 568.24 0.020437 0.00010151 0.091148 liquid -450.00 8.0100 5992.1 0.00016689 24.284 25.621 61.818 203.33 255.50 570.04 0.017224 0.00010175 0.091229 liquid -450.00 8.1100 5996.6 0.00016676 24.268 25.621 61.780 203.32 255.35 571.83 0.014059 0.00010199 0.091309 liquid -450.00 8.2100 6001.1 0.00016664 24.252 25.620 61.742 203.32 255.21 573.60 0.010941 0.00010222 0.091389 liquid -450.00 8.3100 6005.5 0.00016651 24.236 25.620 61.705 203.31 255.07 575.37 0.0078672 0.00010246 0.091469 liquid -450.00 8.4100 6009.9 0.00016639 24.221 25.620 61.667 203.30 254.93 577.13 0.0048381 0.00010270 0.091548 liquid -450.00 8.5100 6014.2 0.00016627 24.205 25.620 61.630 203.30 254.79 578.87 0.0018523 0.00010293 0.091628 liquid -450.00 8.6100 6018.5 0.00016615 24.189 25.620 61.593 203.29 254.65 580.61 -0.0010911 0.00010317 0.091707 liquid -450.00 8.7100 6022.8 0.00016603 24.174 25.620 61.556 203.28 254.52 582.34 -0.0039933 0.00010340 0.091785 liquid -450.00 8.8100 6027.1 0.00016592 24.158 25.620 61.520 203.28 254.39 584.05 -0.0068549 0.00010363 0.091864 liquid -450.00 8.9100 6031.4 0.00016580 24.143 25.620 61.484 203.27 254.26 585.76 -0.0096771 0.00010386 0.091942 liquid -450.00 9.0100 6035.6 0.00016568 24.128 25.621 61.447 203.27 254.13 587.46 -0.012461 0.00010409 0.092019 liquid -450.00 9.1100 6039.8 0.00016557 24.113 25.621 61.411 203.26 254.00 589.15 -0.015206 0.00010432 0.092097 liquid -450.00 9.2100 6043.9 0.00016546 24.098 25.621 61.375 203.26 253.87 590.83 -0.017915 0.00010455 0.092174 liquid -450.00 9.3100 6048.1 0.00016534 24.083 25.622 61.340 203.25 253.75 592.50 -0.020587 0.00010478 0.092251 liquid -450.00 9.4100 6052.2 0.00016523 24.068 25.622 61.304 203.24 253.63 594.17 -0.023224 0.00010501 0.092328 liquid -450.00 9.5100 6056.3 0.00016512 24.053 25.623 61.269 203.24 253.51 595.82 -0.025826 0.00010524 0.092404 liquid -450.00 9.6100 6060.3 0.00016501 24.038 25.624 61.234 203.24 253.39 597.47 -0.028394 0.00010546 0.092481 liquid -450.00 9.7100 6064.4 0.00016490 24.023 25.624 61.199 203.23 253.27 599.11 -0.030929 0.00010569 0.092557 liquid -450.00 9.8100 6068.4 0.00016479 24.009 25.625 61.164 203.23 253.15 600.74 -0.033431 0.00010591 0.092632 liquid -450.00 9.9100 6072.4 0.00016468 23.994 25.626 61.129 203.22 253.04 602.36 -0.035902 0.00010614 0.092708 liquid -450.00 10.010 6076.4 0.00016457 23.980 25.627 61.095 203.22 252.93 603.98 -0.038341 0.00010636 0.092783 liquid diff --git a/examples/data/lennard_jones_nist.csv b/examples/data/lennard_jones_nist.csv deleted file mode 100644 index 63c07e69d..000000000 --- a/examples/data/lennard_jones_nist.csv +++ /dev/null @@ -1,614 +0,0 @@ -t rhov rhol p -7.00000E-01 2.01239E-03 8.43237E-01 1.38071E-03 -7.01000E-01 2.03841E-03 8.42829E-01 1.40027E-03 -7.02000E-01 2.06469E-03 8.42420E-01 1.42004E-03 -7.03000E-01 2.09123E-03 8.42010E-01 1.44004E-03 -7.04000E-01 2.11803E-03 8.41598E-01 1.46025E-03 -7.05000E-01 2.14510E-03 8.41186E-01 1.48069E-03 -7.06000E-01 2.17243E-03 8.40772E-01 1.50136E-03 -7.07000E-01 2.20003E-03 8.40357E-01 1.52225E-03 -7.08000E-01 2.22790E-03 8.39941E-01 1.54337E-03 -7.09000E-01 2.25604E-03 8.39524E-01 1.56473E-03 -7.10000E-01 2.28445E-03 8.39106E-01 1.58631E-03 -7.11000E-01 2.31314E-03 8.38686E-01 1.60813E-03 -7.12000E-01 2.34210E-03 8.38266E-01 1.63018E-03 -7.13000E-01 2.37134E-03 8.37845E-01 1.65247E-03 -7.14000E-01 2.40085E-03 8.37422E-01 1.67500E-03 -7.15000E-01 2.43065E-03 8.36999E-01 1.69777E-03 -7.16000E-01 2.46073E-03 8.36575E-01 1.72078E-03 -7.17000E-01 2.49109E-03 8.36149E-01 1.74404E-03 -7.18000E-01 2.52174E-03 8.35723E-01 1.76753E-03 -7.19000E-01 2.55267E-03 8.35296E-01 1.79128E-03 -7.20000E-01 2.58390E-03 8.34868E-01 1.81528E-03 -7.21000E-01 2.61541E-03 8.34439E-01 1.83952E-03 -7.22000E-01 2.64721E-03 8.34010E-01 1.86402E-03 -7.23000E-01 2.67931E-03 8.33579E-01 1.88877E-03 -7.24000E-01 2.71170E-03 8.33148E-01 1.91378E-03 -7.25000E-01 2.74439E-03 8.32716E-01 1.93904E-03 -7.26000E-01 2.77738E-03 8.32283E-01 1.96456E-03 -7.27000E-01 2.81067E-03 8.31849E-01 1.99035E-03 -7.28000E-01 2.84425E-03 8.31415E-01 2.01639E-03 -7.29000E-01 2.87815E-03 8.30979E-01 2.04270E-03 -7.30000E-01 2.91234E-03 8.30543E-01 2.06928E-03 -7.31000E-01 2.94685E-03 8.30107E-01 2.09612E-03 -7.32000E-01 2.98166E-03 8.29669E-01 2.12323E-03 -7.33000E-01 3.01678E-03 8.29231E-01 2.15061E-03 -7.34000E-01 3.05221E-03 8.28793E-01 2.17826E-03 -7.35000E-01 3.08795E-03 8.28353E-01 2.20619E-03 -7.36000E-01 3.12401E-03 8.27913E-01 2.23440E-03 -7.37000E-01 3.16039E-03 8.27473E-01 2.26288E-03 -7.38000E-01 3.19708E-03 8.27032E-01 2.29164E-03 -7.39000E-01 3.23410E-03 8.26590E-01 2.32068E-03 -7.40000E-01 3.27143E-03 8.26147E-01 2.35001E-03 -7.41000E-01 3.30909E-03 8.25704E-01 2.37962E-03 -7.42000E-01 3.34708E-03 8.25261E-01 2.40951E-03 -7.43000E-01 3.38539E-03 8.24817E-01 2.43970E-03 -7.44000E-01 3.42402E-03 8.24372E-01 2.47017E-03 -7.45000E-01 3.46299E-03 8.23927E-01 2.50094E-03 -7.46000E-01 3.50229E-03 8.23481E-01 2.53200E-03 -7.47000E-01 3.54192E-03 8.23035E-01 2.56335E-03 -7.48000E-01 3.58189E-03 8.22588E-01 2.59500E-03 -7.49000E-01 3.62219E-03 8.22141E-01 2.62695E-03 -7.50000E-01 3.66284E-03 8.21693E-01 2.65920E-03 -7.51000E-01 3.70382E-03 8.21245E-01 2.69175E-03 -7.52000E-01 3.74514E-03 8.20796E-01 2.72461E-03 -7.53000E-01 3.78681E-03 8.20347E-01 2.75777E-03 -7.54000E-01 3.82882E-03 8.19898E-01 2.79124E-03 -7.55000E-01 3.87118E-03 8.19448E-01 2.82502E-03 -7.56000E-01 3.91389E-03 8.18997E-01 2.85911E-03 -7.57000E-01 3.95695E-03 8.18547E-01 2.89352E-03 -7.58000E-01 4.00036E-03 8.18095E-01 2.92824E-03 -7.59000E-01 4.04413E-03 8.17644E-01 2.96327E-03 -7.60000E-01 4.08825E-03 8.17192E-01 2.99862E-03 -7.61000E-01 4.13272E-03 8.16740E-01 3.03430E-03 -7.62000E-01 4.17756E-03 8.16287E-01 3.07029E-03 -7.63000E-01 4.22276E-03 8.15834E-01 3.10661E-03 -7.64000E-01 4.26832E-03 8.15380E-01 3.14326E-03 -7.65000E-01 4.31424E-03 8.14926E-01 3.18023E-03 -7.66000E-01 4.36053E-03 8.14472E-01 3.21753E-03 -7.67000E-01 4.40719E-03 8.14018E-01 3.25516E-03 -7.68000E-01 4.45421E-03 8.13563E-01 3.29313E-03 -7.69000E-01 4.50161E-03 8.13108E-01 3.33143E-03 -7.70000E-01 4.54938E-03 8.12652E-01 3.37006E-03 -7.71000E-01 4.59753E-03 8.12197E-01 3.40904E-03 -7.72000E-01 4.64605E-03 8.11741E-01 3.44835E-03 -7.73000E-01 4.69496E-03 8.11284E-01 3.48801E-03 -7.74000E-01 4.74424E-03 8.10828E-01 3.52801E-03 -7.75000E-01 4.79390E-03 8.10371E-01 3.56836E-03 -7.76000E-01 4.84395E-03 8.09913E-01 3.60905E-03 -7.77000E-01 4.89438E-03 8.09456E-01 3.65009E-03 -7.78000E-01 4.94520E-03 8.08998E-01 3.69149E-03 -7.79000E-01 4.99641E-03 8.08540E-01 3.73324E-03 -7.80000E-01 5.04801E-03 8.08082E-01 3.77534E-03 -7.81000E-01 5.10001E-03 8.07623E-01 3.81780E-03 -7.82000E-01 5.15239E-03 8.07164E-01 3.86062E-03 -7.83000E-01 5.20518E-03 8.06705E-01 3.90379E-03 -7.84000E-01 5.25836E-03 8.06246E-01 3.94733E-03 -7.85000E-01 5.31195E-03 8.05787E-01 3.99124E-03 -7.86000E-01 5.36593E-03 8.05327E-01 4.03551E-03 -7.87000E-01 5.42032E-03 8.04867E-01 4.08015E-03 -7.88000E-01 5.47511E-03 8.04407E-01 4.12516E-03 -7.89000E-01 5.53032E-03 8.03946E-01 4.17054E-03 -7.90000E-01 5.58593E-03 8.03485E-01 4.21629E-03 -7.91000E-01 5.64195E-03 8.03025E-01 4.26242E-03 -7.92000E-01 5.69839E-03 8.02563E-01 4.30893E-03 -7.93000E-01 5.75524E-03 8.02102E-01 4.35582E-03 -7.94000E-01 5.81250E-03 8.01641E-01 4.40309E-03 -7.95000E-01 5.87019E-03 8.01179E-01 4.45074E-03 -7.96000E-01 5.92830E-03 8.00717E-01 4.49877E-03 -7.97000E-01 5.98682E-03 8.00255E-01 4.54720E-03 -7.98000E-01 6.04578E-03 7.99792E-01 4.59601E-03 -7.99000E-01 6.10516E-03 7.99330E-01 4.64521E-03 -8.00000E-01 6.16496E-03 7.98867E-01 4.69480E-03 -8.01000E-01 6.22520E-03 7.98404E-01 4.74479E-03 -8.02000E-01 6.28587E-03 7.97941E-01 4.79518E-03 -8.03000E-01 6.34698E-03 7.97478E-01 4.84596E-03 -8.04000E-01 6.40851E-03 7.97014E-01 4.89714E-03 -8.05000E-01 6.47049E-03 7.96551E-01 4.94873E-03 -8.06000E-01 6.53291E-03 7.96087E-01 5.00072E-03 -8.07000E-01 6.59577E-03 7.95623E-01 5.05311E-03 -8.08000E-01 6.65907E-03 7.95158E-01 5.10592E-03 -8.09000E-01 6.72281E-03 7.94694E-01 5.15913E-03 -8.10000E-01 6.78701E-03 7.94229E-01 5.21275E-03 -8.11000E-01 6.85165E-03 7.93765E-01 5.26679E-03 -8.12000E-01 6.91674E-03 7.93300E-01 5.32124E-03 -8.13000E-01 6.98229E-03 7.92835E-01 5.37611E-03 -8.14000E-01 7.04830E-03 7.92369E-01 5.43140E-03 -8.15000E-01 7.11476E-03 7.91904E-01 5.48712E-03 -8.16000E-01 7.18168E-03 7.91438E-01 5.54325E-03 -8.17000E-01 7.24906E-03 7.90973E-01 5.59981E-03 -8.18000E-01 7.31690E-03 7.90507E-01 5.65680E-03 -8.19000E-01 7.38521E-03 7.90041E-01 5.71421E-03 -8.20000E-01 7.45398E-03 7.89574E-01 5.77206E-03 -8.21000E-01 7.52323E-03 7.89108E-01 5.83034E-03 -8.22000E-01 7.59295E-03 7.88641E-01 5.88905E-03 -8.23000E-01 7.66314E-03 7.88174E-01 5.94820E-03 -8.24000E-01 7.73380E-03 7.87708E-01 6.00779E-03 -8.25000E-01 7.80494E-03 7.87240E-01 6.06783E-03 -8.26000E-01 7.87656E-03 7.86773E-01 6.12830E-03 -8.27000E-01 7.94867E-03 7.86306E-01 6.18922E-03 -8.28000E-01 8.02125E-03 7.85838E-01 6.25058E-03 -8.29000E-01 8.09432E-03 7.85370E-01 6.31239E-03 -8.30000E-01 8.16788E-03 7.84902E-01 6.37466E-03 -8.31000E-01 8.24193E-03 7.84434E-01 6.43737E-03 -8.32000E-01 8.31647E-03 7.83966E-01 6.50054E-03 -8.33000E-01 8.39151E-03 7.83497E-01 6.56417E-03 -8.34000E-01 8.46704E-03 7.83029E-01 6.62825E-03 -8.35000E-01 8.54306E-03 7.82560E-01 6.69280E-03 -8.36000E-01 8.61959E-03 7.82091E-01 6.75781E-03 -8.37000E-01 8.69662E-03 7.81622E-01 6.82328E-03 -8.38000E-01 8.77416E-03 7.81153E-01 6.88922E-03 -8.39000E-01 8.85220E-03 7.80683E-01 6.95562E-03 -8.40000E-01 8.93075E-03 7.80213E-01 7.02250E-03 -8.41000E-01 9.00981E-03 7.79744E-01 7.08985E-03 -8.42000E-01 9.08938E-03 7.79274E-01 7.15767E-03 -8.43000E-01 9.16947E-03 7.78803E-01 7.22597E-03 -8.44000E-01 9.25007E-03 7.78333E-01 7.29474E-03 -8.45000E-01 9.33120E-03 7.77863E-01 7.36400E-03 -8.46000E-01 9.41284E-03 7.77392E-01 7.43374E-03 -8.47000E-01 9.49501E-03 7.76921E-01 7.50396E-03 -8.48000E-01 9.57771E-03 7.76450E-01 7.57467E-03 -8.49000E-01 9.66093E-03 7.75979E-01 7.64587E-03 -8.50000E-01 9.74468E-03 7.75507E-01 7.71756E-03 -8.51000E-01 9.82897E-03 7.75035E-01 7.78973E-03 -8.52000E-01 9.91379E-03 7.74564E-01 7.86241E-03 -8.53000E-01 9.99915E-03 7.74092E-01 7.93558E-03 -8.54000E-01 1.00850E-02 7.73619E-01 8.00924E-03 -8.55000E-01 1.01715E-02 7.73147E-01 8.08341E-03 -8.56000E-01 1.02585E-02 7.72674E-01 8.15808E-03 -8.57000E-01 1.03460E-02 7.72202E-01 8.23325E-03 -8.58000E-01 1.04341E-02 7.71729E-01 8.30893E-03 -8.59000E-01 1.05227E-02 7.71255E-01 8.38512E-03 -8.60000E-01 1.06119E-02 7.70782E-01 8.46181E-03 -8.61000E-01 1.07016E-02 7.70308E-01 8.53902E-03 -8.62000E-01 1.07919E-02 7.69835E-01 8.61675E-03 -8.63000E-01 1.08828E-02 7.69361E-01 8.69499E-03 -8.64000E-01 1.09742E-02 7.68886E-01 8.77374E-03 -8.65000E-01 1.10661E-02 7.68412E-01 8.85302E-03 -8.66000E-01 1.11587E-02 7.67937E-01 8.93282E-03 -8.67000E-01 1.12518E-02 7.67463E-01 9.01314E-03 -8.68000E-01 1.13455E-02 7.66987E-01 9.09399E-03 -8.69000E-01 1.14397E-02 7.66512E-01 9.17537E-03 -8.70000E-01 1.15346E-02 7.66037E-01 9.25728E-03 -8.71000E-01 1.16300E-02 7.65561E-01 9.33972E-03 -8.72000E-01 1.17260E-02 7.65085E-01 9.42270E-03 -8.73000E-01 1.18226E-02 7.64609E-01 9.50621E-03 -8.74000E-01 1.19197E-02 7.64132E-01 9.59026E-03 -8.75000E-01 1.20175E-02 7.63656E-01 9.67485E-03 -8.76000E-01 1.21158E-02 7.63179E-01 9.75998E-03 -8.77000E-01 1.22147E-02 7.62702E-01 9.84565E-03 -8.78000E-01 1.23143E-02 7.62224E-01 9.93188E-03 -8.79000E-01 1.24144E-02 7.61747E-01 1.00186E-02 -8.80000E-01 1.25151E-02 7.61269E-01 1.01060E-02 -8.81000E-01 1.26165E-02 7.60791E-01 1.01938E-02 -8.82000E-01 1.27184E-02 7.60312E-01 1.02823E-02 -8.83000E-01 1.28209E-02 7.59834E-01 1.03713E-02 -8.84000E-01 1.29241E-02 7.59355E-01 1.04608E-02 -8.85000E-01 1.30279E-02 7.58876E-01 1.05509E-02 -8.86000E-01 1.31322E-02 7.58396E-01 1.06416E-02 -8.87000E-01 1.32372E-02 7.57917E-01 1.07328E-02 -8.88000E-01 1.33429E-02 7.57437E-01 1.08246E-02 -8.89000E-01 1.34491E-02 7.56957E-01 1.09170E-02 -8.90000E-01 1.35560E-02 7.56476E-01 1.10099E-02 -8.91000E-01 1.36635E-02 7.55995E-01 1.11034E-02 -8.92000E-01 1.37716E-02 7.55514E-01 1.11975E-02 -8.93000E-01 1.38804E-02 7.55033E-01 1.12922E-02 -8.94000E-01 1.39898E-02 7.54551E-01 1.13874E-02 -8.95000E-01 1.40998E-02 7.54070E-01 1.14833E-02 -8.96000E-01 1.42105E-02 7.53587E-01 1.15797E-02 -8.97000E-01 1.43218E-02 7.53105E-01 1.16767E-02 -8.98000E-01 1.44338E-02 7.52622E-01 1.17742E-02 -8.99000E-01 1.45464E-02 7.52139E-01 1.18724E-02 -9.00000E-01 1.46597E-02 7.51656E-01 1.19712E-02 -9.01000E-01 1.47736E-02 7.51172E-01 1.20705E-02 -9.02000E-01 1.48882E-02 7.50688E-01 1.21705E-02 -9.03000E-01 1.50034E-02 7.50204E-01 1.22710E-02 -9.04000E-01 1.51193E-02 7.49719E-01 1.23722E-02 -9.05000E-01 1.52359E-02 7.49234E-01 1.24739E-02 -9.06000E-01 1.53531E-02 7.48749E-01 1.25763E-02 -9.07000E-01 1.54710E-02 7.48264E-01 1.26792E-02 -9.08000E-01 1.55896E-02 7.47778E-01 1.27828E-02 -9.09000E-01 1.57089E-02 7.47292E-01 1.28870E-02 -9.10000E-01 1.58288E-02 7.46805E-01 1.29918E-02 -9.11000E-01 1.59494E-02 7.46318E-01 1.30972E-02 -9.12000E-01 1.60707E-02 7.45831E-01 1.32032E-02 -9.13000E-01 1.61927E-02 7.45343E-01 1.33098E-02 -9.14000E-01 1.63154E-02 7.44855E-01 1.34171E-02 -9.15000E-01 1.64388E-02 7.44367E-01 1.35250E-02 -9.16000E-01 1.65629E-02 7.43879E-01 1.36335E-02 -9.17000E-01 1.66877E-02 7.43390E-01 1.37426E-02 -9.18000E-01 1.68131E-02 7.42900E-01 1.38524E-02 -9.19000E-01 1.69393E-02 7.42411E-01 1.39628E-02 -9.20000E-01 1.70662E-02 7.41920E-01 1.40738E-02 -9.21000E-01 1.71938E-02 7.41430E-01 1.41855E-02 -9.22000E-01 1.73222E-02 7.40939E-01 1.42978E-02 -9.23000E-01 1.74512E-02 7.40448E-01 1.44107E-02 -9.24000E-01 1.75809E-02 7.39956E-01 1.45243E-02 -9.25000E-01 1.77114E-02 7.39464E-01 1.46385E-02 -9.26000E-01 1.78426E-02 7.38972E-01 1.47534E-02 -9.27000E-01 1.79746E-02 7.38479E-01 1.48689E-02 -9.28000E-01 1.81073E-02 7.37986E-01 1.49851E-02 -9.29000E-01 1.82407E-02 7.37493E-01 1.51019E-02 -9.30000E-01 1.83748E-02 7.36999E-01 1.52193E-02 -9.31000E-01 1.85097E-02 7.36504E-01 1.53375E-02 -9.32000E-01 1.86453E-02 7.36010E-01 1.54563E-02 -9.33000E-01 1.87817E-02 7.35514E-01 1.55757E-02 -9.34000E-01 1.89188E-02 7.35019E-01 1.56958E-02 -9.35000E-01 1.90567E-02 7.34523E-01 1.58166E-02 -9.36000E-01 1.91954E-02 7.34026E-01 1.59380E-02 -9.37000E-01 1.93348E-02 7.33529E-01 1.60601E-02 -9.38000E-01 1.94750E-02 7.33032E-01 1.61829E-02 -9.39000E-01 1.96159E-02 7.32534E-01 1.63064E-02 -9.40000E-01 1.97576E-02 7.32036E-01 1.64305E-02 -9.41000E-01 1.99001E-02 7.31537E-01 1.65553E-02 -9.42000E-01 2.00434E-02 7.31038E-01 1.66808E-02 -9.43000E-01 2.01874E-02 7.30539E-01 1.68069E-02 -9.44000E-01 2.03323E-02 7.30039E-01 1.69338E-02 -9.45000E-01 2.04779E-02 7.29538E-01 1.70613E-02 -9.46000E-01 2.06243E-02 7.29037E-01 1.71895E-02 -9.47000E-01 2.07715E-02 7.28536E-01 1.73184E-02 -9.48000E-01 2.09195E-02 7.28034E-01 1.74480E-02 -9.49000E-01 2.10683E-02 7.27531E-01 1.75783E-02 -9.50000E-01 2.12179E-02 7.27029E-01 1.77093E-02 -9.51000E-01 2.13683E-02 7.26525E-01 1.78410E-02 -9.52000E-01 2.15196E-02 7.26021E-01 1.79734E-02 -9.53000E-01 2.16716E-02 7.25517E-01 1.81065E-02 -9.54000E-01 2.18245E-02 7.25012E-01 1.82403E-02 -9.55000E-01 2.19782E-02 7.24507E-01 1.83748E-02 -9.56000E-01 2.21327E-02 7.24001E-01 1.85100E-02 -9.57000E-01 2.22880E-02 7.23494E-01 1.86459E-02 -9.58000E-01 2.24442E-02 7.22988E-01 1.87825E-02 -9.59000E-01 2.26012E-02 7.22480E-01 1.89199E-02 -9.60000E-01 2.27591E-02 7.21972E-01 1.90579E-02 -9.61000E-01 2.29178E-02 7.21464E-01 1.91967E-02 -9.62000E-01 2.30773E-02 7.20955E-01 1.93362E-02 -9.63000E-01 2.32377E-02 7.20445E-01 1.94764E-02 -9.64000E-01 2.33990E-02 7.19935E-01 1.96174E-02 -9.65000E-01 2.35611E-02 7.19424E-01 1.97591E-02 -9.66000E-01 2.37241E-02 7.18913E-01 1.99015E-02 -9.67000E-01 2.38879E-02 7.18401E-01 2.00446E-02 -9.68000E-01 2.40527E-02 7.17889E-01 2.01885E-02 -9.69000E-01 2.42182E-02 7.17376E-01 2.03331E-02 -9.70000E-01 2.43847E-02 7.16863E-01 2.04785E-02 -9.71000E-01 2.45521E-02 7.16348E-01 2.06246E-02 -9.72000E-01 2.47203E-02 7.15834E-01 2.07714E-02 -9.73000E-01 2.48895E-02 7.15319E-01 2.09190E-02 -9.74000E-01 2.50595E-02 7.14803E-01 2.10673E-02 -9.75000E-01 2.52304E-02 7.14286E-01 2.12164E-02 -9.76000E-01 2.54023E-02 7.13769E-01 2.13662E-02 -9.77000E-01 2.55750E-02 7.13252E-01 2.15168E-02 -9.78000E-01 2.57487E-02 7.12733E-01 2.16681E-02 -9.79000E-01 2.59232E-02 7.12215E-01 2.18202E-02 -9.80000E-01 2.60987E-02 7.11695E-01 2.19731E-02 -9.81000E-01 2.62752E-02 7.11175E-01 2.21267E-02 -9.82000E-01 2.64525E-02 7.10654E-01 2.22811E-02 -9.83000E-01 2.66308E-02 7.10133E-01 2.24362E-02 -9.84000E-01 2.68100E-02 7.09611E-01 2.25921E-02 -9.85000E-01 2.69901E-02 7.09088E-01 2.27488E-02 -9.86000E-01 2.71712E-02 7.08565E-01 2.29062E-02 -9.87000E-01 2.73533E-02 7.08041E-01 2.30645E-02 -9.88000E-01 2.75363E-02 7.07516E-01 2.32235E-02 -9.89000E-01 2.77203E-02 7.06991E-01 2.33833E-02 -9.90000E-01 2.79052E-02 7.06465E-01 2.35438E-02 -9.91000E-01 2.80911E-02 7.05938E-01 2.37052E-02 -9.92000E-01 2.82780E-02 7.05411E-01 2.38673E-02 -9.93000E-01 2.84658E-02 7.04883E-01 2.40302E-02 -9.94000E-01 2.86546E-02 7.04354E-01 2.41940E-02 -9.95000E-01 2.88445E-02 7.03825E-01 2.43585E-02 -9.96000E-01 2.90353E-02 7.03295E-01 2.45238E-02 -9.97000E-01 2.92271E-02 7.02764E-01 2.46898E-02 -9.98000E-01 2.94199E-02 7.02232E-01 2.48567E-02 -9.99000E-01 2.96137E-02 7.01700E-01 2.50244E-02 -1.00000E+00 2.98085E-02 7.01167E-01 2.51929E-02 -1.00100E+00 3.00043E-02 7.00633E-01 2.53622E-02 -1.00200E+00 3.02012E-02 7.00099E-01 2.55323E-02 -1.00300E+00 3.03991E-02 6.99563E-01 2.57033E-02 -1.00400E+00 3.05980E-02 6.99027E-01 2.58750E-02 -1.00500E+00 3.07979E-02 6.98491E-01 2.60475E-02 -1.00600E+00 3.09989E-02 6.97953E-01 2.62209E-02 -1.00700E+00 3.12010E-02 6.97415E-01 2.63951E-02 -1.00800E+00 3.14040E-02 6.96876E-01 2.65701E-02 -1.00900E+00 3.16082E-02 6.96336E-01 2.67459E-02 -1.01000E+00 3.18134E-02 6.95795E-01 2.69225E-02 -1.01100E+00 3.20196E-02 6.95254E-01 2.71000E-02 -1.01200E+00 3.22270E-02 6.94712E-01 2.72783E-02 -1.01300E+00 3.24354E-02 6.94169E-01 2.74574E-02 -1.01400E+00 3.26449E-02 6.93625E-01 2.76374E-02 -1.01500E+00 3.28555E-02 6.93080E-01 2.78182E-02 -1.01600E+00 3.30671E-02 6.92535E-01 2.79998E-02 -1.01700E+00 3.32799E-02 6.91989E-01 2.81823E-02 -1.01800E+00 3.34938E-02 6.91441E-01 2.83656E-02 -1.01900E+00 3.37088E-02 6.90894E-01 2.85497E-02 -1.02000E+00 3.39249E-02 6.90345E-01 2.87347E-02 -1.02100E+00 3.41421E-02 6.89795E-01 2.89206E-02 -1.02200E+00 3.43604E-02 6.89244E-01 2.91073E-02 -1.02300E+00 3.45799E-02 6.88693E-01 2.92949E-02 -1.02400E+00 3.48005E-02 6.88141E-01 2.94833E-02 -1.02500E+00 3.50223E-02 6.87588E-01 2.96725E-02 -1.02600E+00 3.52452E-02 6.87034E-01 2.98627E-02 -1.02700E+00 3.54693E-02 6.86479E-01 3.00537E-02 -1.02800E+00 3.56945E-02 6.85923E-01 3.02455E-02 -1.02900E+00 3.59209E-02 6.85366E-01 3.04382E-02 -1.03000E+00 3.61485E-02 6.84808E-01 3.06318E-02 -1.03100E+00 3.63772E-02 6.84250E-01 3.08263E-02 -1.03200E+00 3.66072E-02 6.83690E-01 3.10216E-02 -1.03300E+00 3.68383E-02 6.83130E-01 3.12178E-02 -1.03400E+00 3.70706E-02 6.82568E-01 3.14149E-02 -1.03500E+00 3.73042E-02 6.82006E-01 3.16128E-02 -1.03600E+00 3.75389E-02 6.81443E-01 3.18117E-02 -1.03700E+00 3.77749E-02 6.80878E-01 3.20114E-02 -1.03800E+00 3.80121E-02 6.80313E-01 3.22120E-02 -1.03900E+00 3.82505E-02 6.79747E-01 3.24135E-02 -1.04000E+00 3.84902E-02 6.79179E-01 3.26159E-02 -1.04100E+00 3.87311E-02 6.78611E-01 3.28192E-02 -1.04200E+00 3.89732E-02 6.78042E-01 3.30234E-02 -1.04300E+00 3.92166E-02 6.77472E-01 3.32284E-02 -1.04400E+00 3.94613E-02 6.76900E-01 3.34344E-02 -1.04500E+00 3.97073E-02 6.76328E-01 3.36413E-02 -1.04600E+00 3.99545E-02 6.75755E-01 3.38490E-02 -1.04700E+00 4.02030E-02 6.75180E-01 3.40577E-02 -1.04800E+00 4.04528E-02 6.74605E-01 3.42673E-02 -1.04900E+00 4.07040E-02 6.74028E-01 3.44778E-02 -1.05000E+00 4.09564E-02 6.73451E-01 3.46892E-02 -1.05100E+00 4.12101E-02 6.72872E-01 3.49016E-02 -1.05200E+00 4.14652E-02 6.72292E-01 3.51148E-02 -1.05300E+00 4.17216E-02 6.71712E-01 3.53290E-02 -1.05400E+00 4.19793E-02 6.71130E-01 3.55440E-02 -1.05500E+00 4.22384E-02 6.70547E-01 3.57600E-02 -1.05600E+00 4.24988E-02 6.69962E-01 3.59770E-02 -1.05700E+00 4.27606E-02 6.69377E-01 3.61948E-02 -1.05800E+00 4.30238E-02 6.68791E-01 3.64136E-02 -1.05900E+00 4.32883E-02 6.68203E-01 3.66334E-02 -1.06000E+00 4.35542E-02 6.67614E-01 3.68540E-02 -1.06100E+00 4.38215E-02 6.67024E-01 3.70756E-02 -1.06200E+00 4.40903E-02 6.66433E-01 3.72981E-02 -1.06300E+00 4.43604E-02 6.65841E-01 3.75216E-02 -1.06400E+00 4.46319E-02 6.65247E-01 3.77460E-02 -1.06500E+00 4.49049E-02 6.64653E-01 3.79714E-02 -1.06600E+00 4.51793E-02 6.64057E-01 3.81977E-02 -1.06700E+00 4.54552E-02 6.63460E-01 3.84250E-02 -1.06800E+00 4.57325E-02 6.62861E-01 3.86532E-02 -1.06900E+00 4.60113E-02 6.62262E-01 3.88824E-02 -1.07000E+00 4.62915E-02 6.61661E-01 3.91125E-02 -1.07100E+00 4.65732E-02 6.61059E-01 3.93436E-02 -1.07200E+00 4.68564E-02 6.60455E-01 3.95756E-02 -1.07300E+00 4.71411E-02 6.59851E-01 3.98087E-02 -1.07400E+00 4.74273E-02 6.59245E-01 4.00426E-02 -1.07500E+00 4.77150E-02 6.58637E-01 4.02776E-02 -1.07600E+00 4.80043E-02 6.58029E-01 4.05135E-02 -1.07700E+00 4.82951E-02 6.57419E-01 4.07504E-02 -1.07800E+00 4.85874E-02 6.56808E-01 4.09883E-02 -1.07900E+00 4.88813E-02 6.56195E-01 4.12271E-02 -1.08000E+00 4.91768E-02 6.55581E-01 4.14670E-02 -1.08100E+00 4.94738E-02 6.54966E-01 4.17078E-02 -1.08200E+00 4.97724E-02 6.54349E-01 4.19496E-02 -1.08300E+00 5.00726E-02 6.53731E-01 4.21924E-02 -1.08400E+00 5.03744E-02 6.53111E-01 4.24361E-02 -1.08500E+00 5.06778E-02 6.52491E-01 4.26809E-02 -1.08600E+00 5.09829E-02 6.51868E-01 4.29267E-02 -1.08700E+00 5.12896E-02 6.51244E-01 4.31734E-02 -1.08800E+00 5.15979E-02 6.50619E-01 4.34212E-02 -1.08900E+00 5.19079E-02 6.49992E-01 4.36699E-02 -1.09000E+00 5.22195E-02 6.49364E-01 4.39197E-02 -1.09100E+00 5.25329E-02 6.48734E-01 4.41704E-02 -1.09200E+00 5.28479E-02 6.48103E-01 4.44222E-02 -1.09300E+00 5.31647E-02 6.47471E-01 4.46750E-02 -1.09400E+00 5.34831E-02 6.46836E-01 4.49288E-02 -1.09500E+00 5.38033E-02 6.46200E-01 4.51836E-02 -1.09600E+00 5.41252E-02 6.45563E-01 4.54394E-02 -1.09700E+00 5.44489E-02 6.44924E-01 4.56963E-02 -1.09800E+00 5.47743E-02 6.44284E-01 4.59542E-02 -1.09900E+00 5.51015E-02 6.43642E-01 4.62131E-02 -1.10000E+00 5.54305E-02 6.42998E-01 4.64730E-02 -1.10100E+00 5.57613E-02 6.42353E-01 4.67339E-02 -1.10200E+00 5.60939E-02 6.41706E-01 4.69959E-02 -1.10300E+00 5.64283E-02 6.41057E-01 4.72589E-02 -1.10400E+00 5.67646E-02 6.40407E-01 4.75230E-02 -1.10500E+00 5.71027E-02 6.39755E-01 4.77881E-02 -1.10600E+00 5.74427E-02 6.39101E-01 4.80542E-02 -1.10700E+00 5.77846E-02 6.38446E-01 4.83214E-02 -1.10800E+00 5.81283E-02 6.37789E-01 4.85896E-02 -1.10900E+00 5.84740E-02 6.37130E-01 4.88589E-02 -1.11000E+00 5.88215E-02 6.36469E-01 4.91292E-02 -1.11100E+00 5.91711E-02 6.35807E-01 4.94006E-02 -1.11200E+00 5.95225E-02 6.35142E-01 4.96730E-02 -1.11300E+00 5.98759E-02 6.34476E-01 4.99465E-02 -1.11400E+00 6.02313E-02 6.33809E-01 5.02211E-02 -1.11500E+00 6.05887E-02 6.33139E-01 5.04967E-02 -1.11600E+00 6.09481E-02 6.32467E-01 5.07734E-02 -1.11700E+00 6.13096E-02 6.31794E-01 5.10511E-02 -1.11800E+00 6.16730E-02 6.31119E-01 5.13299E-02 -1.11900E+00 6.20385E-02 6.30441E-01 5.16098E-02 -1.12000E+00 6.24061E-02 6.29762E-01 5.18908E-02 -1.12100E+00 6.27758E-02 6.29081E-01 5.21728E-02 -1.12200E+00 6.31476E-02 6.28398E-01 5.24560E-02 -1.12300E+00 6.35215E-02 6.27713E-01 5.27402E-02 -1.12400E+00 6.38975E-02 6.27026E-01 5.30255E-02 -1.12500E+00 6.42757E-02 6.26337E-01 5.33118E-02 -1.12600E+00 6.46561E-02 6.25646E-01 5.35993E-02 -1.12700E+00 6.50386E-02 6.24953E-01 5.38879E-02 -1.12800E+00 6.54234E-02 6.24257E-01 5.41775E-02 -1.12900E+00 6.58104E-02 6.23560E-01 5.44683E-02 -1.13000E+00 6.61996E-02 6.22860E-01 5.47601E-02 -1.13100E+00 6.65911E-02 6.22159E-01 5.50531E-02 -1.13200E+00 6.69848E-02 6.21455E-01 5.53472E-02 -1.13300E+00 6.73809E-02 6.20749E-01 5.56423E-02 -1.13400E+00 6.77793E-02 6.20041E-01 5.59386E-02 -1.13500E+00 6.81800E-02 6.19330E-01 5.62360E-02 -1.13600E+00 6.85831E-02 6.18618E-01 5.65345E-02 -1.13700E+00 6.89885E-02 6.17903E-01 5.68341E-02 -1.13800E+00 6.93964E-02 6.17185E-01 5.71349E-02 -1.13900E+00 6.98067E-02 6.16466E-01 5.74367E-02 -1.14000E+00 7.02194E-02 6.15744E-01 5.77397E-02 -1.14100E+00 7.06346E-02 6.15019E-01 5.80439E-02 -1.14200E+00 7.10522E-02 6.14292E-01 5.83491E-02 -1.14300E+00 7.14724E-02 6.13563E-01 5.86555E-02 -1.14400E+00 7.18951E-02 6.12832E-01 5.89630E-02 -1.14500E+00 7.23204E-02 6.12098E-01 5.92717E-02 -1.14600E+00 7.27482E-02 6.11361E-01 5.95815E-02 -1.14700E+00 7.31786E-02 6.10622E-01 5.98924E-02 -1.14800E+00 7.36117E-02 6.09880E-01 6.02045E-02 -1.14900E+00 7.40474E-02 6.09136E-01 6.05178E-02 -1.15000E+00 7.44858E-02 6.08389E-01 6.08322E-02 -1.15100E+00 7.49268E-02 6.07639E-01 6.11477E-02 -1.15200E+00 7.53706E-02 6.06887E-01 6.14644E-02 -1.15300E+00 7.58172E-02 6.06132E-01 6.17823E-02 -1.15400E+00 7.62665E-02 6.05375E-01 6.21013E-02 -1.15500E+00 7.67186E-02 6.04614E-01 6.24215E-02 -1.15600E+00 7.71736E-02 6.03851E-01 6.27428E-02 -1.15700E+00 7.76314E-02 6.03085E-01 6.30654E-02 -1.15800E+00 7.80921E-02 6.02316E-01 6.33891E-02 -1.15900E+00 7.85557E-02 6.01544E-01 6.37139E-02 -1.16000E+00 7.90223E-02 6.00770E-01 6.40400E-02 -1.16100E+00 7.94918E-02 5.99992E-01 6.43672E-02 -1.16200E+00 7.99644E-02 5.99211E-01 6.46957E-02 -1.16300E+00 8.04399E-02 5.98428E-01 6.50253E-02 -1.16400E+00 8.09186E-02 5.97641E-01 6.53561E-02 -1.16500E+00 8.14003E-02 5.96851E-01 6.56881E-02 -1.16600E+00 8.18852E-02 5.96058E-01 6.60213E-02 -1.16700E+00 8.23732E-02 5.95262E-01 6.63556E-02 -1.16800E+00 8.28645E-02 5.94463E-01 6.66912E-02 -1.16900E+00 8.33589E-02 5.93660E-01 6.70280E-02 -1.17000E+00 8.38567E-02 5.92855E-01 6.73660E-02 -1.17100E+00 8.43577E-02 5.92045E-01 6.77052E-02 -1.17200E+00 8.48621E-02 5.91233E-01 6.80456E-02 -1.17300E+00 8.53698E-02 5.90417E-01 6.83873E-02 -1.17400E+00 8.58810E-02 5.89597E-01 6.87301E-02 -1.17500E+00 8.63956E-02 5.88774E-01 6.90742E-02 -1.17600E+00 8.69137E-02 5.87948E-01 6.94195E-02 -1.17700E+00 8.74353E-02 5.87118E-01 6.97660E-02 -1.17800E+00 8.79605E-02 5.86284E-01 7.01138E-02 -1.17900E+00 8.84893E-02 5.85447E-01 7.04628E-02 -1.18000E+00 8.90218E-02 5.84606E-01 7.08130E-02 -1.18100E+00 8.95580E-02 5.83761E-01 7.11644E-02 -1.18200E+00 9.00979E-02 5.82912E-01 7.15171E-02 -1.18300E+00 9.06416E-02 5.82060E-01 7.18711E-02 -1.18400E+00 9.11891E-02 5.81203E-01 7.22263E-02 -1.18500E+00 9.17405E-02 5.80342E-01 7.25827E-02 -1.18600E+00 9.22958E-02 5.79478E-01 7.29404E-02 -1.18700E+00 9.28552E-02 5.78609E-01 7.32994E-02 -1.18800E+00 9.34185E-02 5.77736E-01 7.36596E-02 -1.18900E+00 9.39859E-02 5.76859E-01 7.40211E-02 -1.19000E+00 9.45574E-02 5.75978E-01 7.43838E-02 -1.19100E+00 9.51331E-02 5.75092E-01 7.47479E-02 -1.19200E+00 9.57131E-02 5.74202E-01 7.51131E-02 -1.19300E+00 9.62973E-02 5.73308E-01 7.54797E-02 -1.19400E+00 9.68859E-02 5.72409E-01 7.58475E-02 -1.19500E+00 9.74789E-02 5.71505E-01 7.62167E-02 -1.19600E+00 9.80764E-02 5.70597E-01 7.65871E-02 -1.19700E+00 9.86783E-02 5.69684E-01 7.69588E-02 -1.19800E+00 9.92849E-02 5.68766E-01 7.73318E-02 -1.19900E+00 9.98961E-02 5.67844E-01 7.77061E-02 -1.20000E+00 1.00512E-01 5.66916E-01 7.80816E-02 -1.20100E+00 1.01133E-01 5.65983E-01 7.84585E-02 -1.20200E+00 1.01758E-01 5.65046E-01 7.88367E-02 -1.20300E+00 1.02389E-01 5.64103E-01 7.92162E-02 -1.20400E+00 1.03024E-01 5.63155E-01 7.95970E-02 -1.20500E+00 1.03665E-01 5.62201E-01 7.99792E-02 -1.20600E+00 1.04310E-01 5.61242E-01 8.03626E-02 -1.20700E+00 1.04961E-01 5.60278E-01 8.07474E-02 -1.20800E+00 1.05617E-01 5.59308E-01 8.11335E-02 -1.20900E+00 1.06279E-01 5.58332E-01 8.15209E-02 -1.21000E+00 1.06946E-01 5.57351E-01 8.19096E-02 -1.21100E+00 1.07618E-01 5.56363E-01 8.22997E-02 -1.21200E+00 1.08296E-01 5.55370E-01 8.26912E-02 -1.21300E+00 1.08980E-01 5.54370E-01 8.30839E-02 -1.21400E+00 1.09670E-01 5.53364E-01 8.34781E-02 -1.21500E+00 1.10366E-01 5.52352E-01 8.38735E-02 -1.21600E+00 1.11067E-01 5.51334E-01 8.42704E-02 -1.21700E+00 1.11775E-01 5.50309E-01 8.46685E-02 -1.21800E+00 1.12489E-01 5.49277E-01 8.50681E-02 -1.21900E+00 1.13209E-01 5.48239E-01 8.54690E-02 -1.22000E+00 1.13935E-01 5.47194E-01 8.58713E-02 -1.22100E+00 1.14668E-01 5.46141E-01 8.62749E-02 -1.22200E+00 1.15408E-01 5.45082E-01 8.66799E-02 -1.22300E+00 1.16154E-01 5.44015E-01 8.70864E-02 -1.22400E+00 1.16908E-01 5.42941E-01 8.74941E-02 -1.22500E+00 1.17668E-01 5.41859E-01 8.79033E-02 -1.22600E+00 1.18435E-01 5.40770E-01 8.83139E-02 -1.22700E+00 1.19210E-01 5.39672E-01 8.87259E-02 -1.22800E+00 1.19992E-01 5.38567E-01 8.91392E-02 -1.22900E+00 1.20782E-01 5.37453E-01 8.95540E-02 -1.23000E+00 1.21579E-01 5.36331E-01 8.99702E-02 -1.23100E+00 1.22384E-01 5.35201E-01 9.03878E-02 -1.23200E+00 1.23197E-01 5.34062E-01 9.08068E-02 -1.23300E+00 1.24019E-01 5.32914E-01 9.12272E-02 -1.23400E+00 1.24848E-01 5.31757E-01 9.16491E-02 -1.23500E+00 1.25686E-01 5.30590E-01 9.20724E-02 -1.23600E+00 1.26533E-01 5.29414E-01 9.24971E-02 -1.23700E+00 1.27388E-01 5.28229E-01 9.29233E-02 -1.23800E+00 1.28253E-01 5.27033E-01 9.33509E-02 -1.23900E+00 1.29127E-01 5.25827E-01 9.37799E-02 -1.24000E+00 1.30010E-01 5.24611E-01 9.42104E-02 -1.24100E+00 1.30902E-01 5.23385E-01 9.46424E-02 -1.24200E+00 1.31805E-01 5.22147E-01 9.50758E-02 -1.24300E+00 1.32718E-01 5.20898E-01 9.55107E-02 -1.24400E+00 1.33641E-01 5.19638E-01 9.59470E-02 -1.24500E+00 1.34574E-01 5.18367E-01 9.63848E-02 -1.24600E+00 1.35519E-01 5.17083E-01 9.68241E-02 -1.24700E+00 1.36474E-01 5.15787E-01 9.72649E-02 -1.24800E+00 1.37441E-01 5.14478E-01 9.77072E-02 -1.24900E+00 1.38419E-01 5.13157E-01 9.81510E-02 -1.25000E+00 1.39409E-01 5.11822E-01 9.85962E-02 -1.25100E+00 1.40412E-01 5.10474E-01 9.90430E-02 -1.25200E+00 1.41427E-01 5.09111E-01 9.94913E-02 -1.25300E+00 1.42454E-01 5.07735E-01 9.99411E-02 -1.25400E+00 1.43495E-01 5.06343E-01 1.00392E-01 -1.25500E+00 1.44550E-01 5.04936E-01 1.00845E-01 -1.25600E+00 1.45619E-01 5.03514E-01 1.01300E-01 -1.25700E+00 1.46702E-01 5.02076E-01 1.01755E-01 -1.25800E+00 1.47799E-01 5.00621E-01 1.02213E-01 -1.25900E+00 1.48912E-01 4.99148E-01 1.02672E-01 -1.26000E+00 1.50041E-01 4.97659E-01 1.03132E-01 -1.26100E+00 1.51186E-01 4.96151E-01 1.03595E-01 -1.26200E+00 1.52347E-01 4.94624E-01 1.04058E-01 -1.26300E+00 1.53526E-01 4.93078E-01 1.04523E-01 -1.26400E+00 1.54722E-01 4.91512E-01 1.04990E-01 -1.26500E+00 1.55937E-01 4.89925E-01 1.05459E-01 -1.26600E+00 1.57170E-01 4.88317E-01 1.05929E-01 -1.26700E+00 1.58424E-01 4.86686E-01 1.06400E-01 -1.26800E+00 1.59697E-01 4.85033E-01 1.06873E-01 -1.26900E+00 1.60992E-01 4.83356E-01 1.07348E-01 -1.27000E+00 1.62308E-01 4.81654E-01 1.07824E-01 -1.27100E+00 1.63647E-01 4.79926E-01 1.08302E-01 -1.27200E+00 1.65010E-01 4.78172E-01 1.08782E-01 -1.27300E+00 1.66397E-01 4.76390E-01 1.09263E-01 -1.27400E+00 1.67810E-01 4.74579E-01 1.09746E-01 -1.27500E+00 1.69249E-01 4.72738E-01 1.10231E-01 -1.27600E+00 1.70715E-01 4.70865E-01 1.10717E-01 -1.27700E+00 1.72211E-01 4.68960E-01 1.11205E-01 -1.27800E+00 1.73736E-01 4.67020E-01 1.11694E-01 -1.27900E+00 1.75293E-01 4.65044E-01 1.12185E-01 -1.28000E+00 1.76884E-01 4.63031E-01 1.12678E-01 -1.28100E+00 1.78509E-01 4.60979E-01 1.13173E-01 -1.28200E+00 1.80170E-01 4.58885E-01 1.13669E-01 -1.28300E+00 1.81869E-01 4.56747E-01 1.14167E-01 -1.28400E+00 1.83609E-01 4.54563E-01 1.14667E-01 -1.28500E+00 1.85392E-01 4.52331E-01 1.15168E-01 -1.28600E+00 1.87219E-01 4.50048E-01 1.15671E-01 -1.28700E+00 1.89094E-01 4.47710E-01 1.16176E-01 -1.28800E+00 1.91020E-01 4.45315E-01 1.16682E-01 -1.28900E+00 1.93000E-01 4.42858E-01 1.17191E-01 -1.29000E+00 1.95037E-01 4.40336E-01 1.17701E-01 -1.29100E+00 1.97136E-01 4.37744E-01 1.18213E-01 -1.29200E+00 1.99301E-01 4.35078E-01 1.18726E-01 -1.29300E+00 2.01537E-01 4.32331E-01 1.19242E-01 -1.29400E+00 2.03850E-01 4.29497E-01 1.19759E-01 -1.29500E+00 2.06245E-01 4.26570E-01 1.20278E-01 -1.29600E+00 2.08731E-01 4.23540E-01 1.20798E-01 -1.29700E+00 2.11316E-01 4.20400E-01 1.21321E-01 -1.29800E+00 2.14010E-01 4.17138E-01 1.21845E-01 -1.29900E+00 2.16824E-01 4.13742E-01 1.22372E-01 -1.30000E+00 2.19771E-01 4.10196E-01 1.22900E-01 -1.30100E+00 2.22869E-01 4.06485E-01 1.23430E-01 -1.30200E+00 2.26136E-01 4.02586E-01 1.23961E-01 -1.30300E+00 2.29596E-01 3.98474E-01 1.24495E-01 -1.30400E+00 2.33282E-01 3.94117E-01 1.25031E-01 -1.30500E+00 2.37231E-01 3.89473E-01 1.25568E-01 -1.30600E+00 2.41495E-01 3.84489E-01 1.26107E-01 -1.30700E+00 2.46147E-01 3.79091E-01 1.26648E-01 -1.30800E+00 2.51287E-01 3.73174E-01 1.27192E-01 -1.30900E+00 2.57074E-01 3.66577E-01 1.27736E-01 -1.31000E+00 2.63768E-01 3.59036E-01 1.28283E-01 -1.31100E+00 2.71882E-01 3.50035E-01 1.28832E-01 -1.31200E+00 2.82726E-01 3.38258E-01 1.29383E-01 \ No newline at end of file diff --git a/examples/data/peng-robinson.json b/examples/data/peng-robinson.json deleted file mode 100644 index 0330baaa3..000000000 --- a/examples/data/peng-robinson.json +++ /dev/null @@ -1,30 +0,0 @@ -[ - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1/C3H8/c1-3-2/h3H2,1-2H3", - "formula": "C3H8" - }, - "tc": 369.96, - "pc": 4250000.0, - "acentric_factor": 0.153, - "molarweight": 44.0962 - }, - { - "identifier": { - "cas": "106-97-8", - "name": "butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "tc": 425.2, - "pc": 3800000.0, - "acentric_factor": 0.199, - "molarweight": 58.123 - } -] \ No newline at end of file diff --git a/examples/data/water_vle_nist.csv b/examples/data/water_vle_nist.csv deleted file mode 100644 index 37cc884c7..000000000 --- a/examples/data/water_vle_nist.csv +++ /dev/null @@ -1,39 +0,0 @@ -Temperature (K) Pressure (MPa) Density (l, mol/l) Volume (l, l/mol) Internal Energy (l, kJ/mol) Enthalpy (l, kJ/mol) Entropy (l, J/mol*K) Cv (l, J/mol*K) Cp (l, J/mol*K) Sound Spd. (l, m/s) Joule-Thomson (l, K/MPa) Viscosity (l, uPa*s) Therm. Cond. (l, W/m*K) Surf. Tension (l, N/m) Density (v, mol/l) Volume (v, l/mol) Internal Energy (v, kJ/mol) Enthalpy (v, kJ/mol) Entropy (v, J/mol*K) Cv (v, J/mol*K) Cp (v, J/mol*K) Sound Spd. (v, m/s) Joule-Thomson (v, K/MPa) Viscosity (v, uPa*s) Therm. Cond. (v, W/m*K) -275.00 0.00069845 55.502 0.018017 0.13978 0.13979 0.51000 75.903 75.915 1411.4 -0.23965 1682.1 0.56022 0.075388 0.00030567 3271.5 42.830 45.115 164.06 25.580 33.980 410.33 558.89 8.9986 0.016879 -285.00 0.0013890 55.479 0.018025 0.89678 0.89681 3.2139 75.397 75.533 1454.3 -0.23102 1239.3 0.58253 0.073951 0.00058676 1704.3 43.078 45.445 159.52 25.736 34.170 417.48 408.81 9.2941 0.017535 -295.00 0.0026212 55.384 0.018056 1.6511 1.6512 5.8154 74.765 75.361 1487.7 -0.22362 957.83 0.60118 0.072455 0.0010703 934.36 43.324 45.773 155.38 25.898 34.374 424.46 304.01 9.6018 0.018214 -305.00 0.0047193 55.233 0.018105 2.4044 2.4044 8.3264 74.038 75.300 1513.1 -0.21702 766.79 0.61711 0.070903 0.0018650 536.20 43.568 46.099 151.59 26.069 34.596 431.28 231.32 9.9196 0.018918 -315.00 0.0081451 55.034 0.018171 3.1573 3.1575 10.756 73.235 75.301 1531.7 -0.21094 630.64 0.63082 0.069295 0.0031193 320.58 43.811 46.422 148.10 26.252 34.843 437.93 180.66 10.246 0.019646 -325.00 0.013531 54.795 0.018250 3.9105 3.9107 13.109 72.374 75.342 1544.3 -0.20520 529.95 0.64262 0.067632 0.0050285 198.87 44.051 46.742 144.90 26.456 35.127 444.39 144.85 10.578 0.020403 -335.00 0.021718 54.520 0.018342 4.6642 4.6646 15.394 71.471 75.411 1551.9 -0.19964 453.28 0.65270 0.065917 0.0078415 127.53 44.287 47.057 141.94 26.690 35.462 450.64 119.01 10.916 0.021191 -345.00 0.033783 54.213 0.018446 5.4187 5.4194 17.613 70.541 75.508 1554.9 -0.19415 393.51 0.66117 0.064150 0.011867 84.269 44.520 47.367 139.20 26.963 35.862 456.67 99.902 11.258 0.022016 -355.00 0.051080 53.877 0.018561 6.1743 6.1753 19.772 69.597 75.633 1553.9 -0.18862 346.02 0.66815 0.062333 0.017478 57.214 44.748 47.670 136.66 27.286 36.342 462.44 85.409 11.603 0.022880 -365.00 0.075260 53.513 0.018687 6.9313 6.9327 21.875 68.651 75.791 1549.3 -0.18296 307.65 0.67369 0.060467 0.025119 39.810 44.970 47.966 134.30 27.667 36.919 467.93 74.148 11.949 0.023790 -375.00 0.10830 53.122 0.018824 7.6900 7.6920 23.925 67.712 75.985 1541.5 -0.17708 276.21 0.67789 0.058555 0.035306 28.324 45.186 48.254 132.09 28.118 37.610 473.13 65.193 12.296 0.024752 -385.00 0.15252 52.707 0.018973 8.4507 8.4536 25.927 66.787 76.222 1530.7 -0.17091 250.13 0.68079 0.056596 0.048634 20.562 45.395 48.531 130.02 28.647 38.434 478.01 57.909 12.644 0.025773 -395.00 0.21060 52.267 0.019132 9.2139 9.2179 27.884 65.882 76.504 1517.2 -0.16436 228.26 0.68246 0.054595 0.065777 15.203 45.594 48.796 128.08 29.264 39.412 482.54 51.852 12.991 0.026858 -405.00 0.28558 51.804 0.019304 9.9800 9.9855 29.800 65.001 76.838 1501.1 -0.15736 209.73 0.68296 0.052551 0.087497 11.429 45.785 49.049 126.25 29.976 40.560 486.71 46.707 13.337 0.028015 -415.00 0.38087 51.316 0.019487 10.750 10.757 31.677 64.147 77.229 1482.6 -0.14982 193.89 0.68233 0.050468 0.11464 8.7226 45.964 49.287 124.52 30.788 41.894 490.49 42.254 13.681 0.029250 -425.00 0.50025 50.805 0.019683 11.523 11.533 33.519 63.322 77.682 1461.8 -0.14164 180.23 0.68062 0.048346 0.14817 6.7490 46.132 49.508 122.87 31.697 43.425 493.86 38.339 14.025 0.030573 -435.00 0.64787 50.270 0.019892 12.301 12.314 35.328 62.526 78.205 1438.8 -0.13271 168.35 0.67822 0.046189 0.18913 5.2874 46.287 49.712 121.30 32.700 45.164 496.81 34.859 14.367 0.031990 -445.00 0.82824 49.711 0.020116 13.084 13.101 37.108 61.761 78.805 1413.7 -0.12293 157.95 0.67481 0.043999 0.23869 4.1895 46.427 49.897 119.80 33.788 47.117 499.32 31.744 14.708 0.033510 -455.00 1.0462 49.126 0.020356 13.873 13.894 38.862 61.027 79.491 1386.5 -0.11214 148.76 0.67039 0.041777 0.29818 3.3537 46.552 50.061 118.35 34.953 49.293 501.39 28.945 15.048 0.035143 -465.00 1.3069 48.514 0.020612 14.668 14.695 40.591 60.324 80.274 1357.3 -0.10017 140.60 0.66504 0.039527 0.36904 2.7097 46.660 50.202 116.95 36.184 51.705 502.98 26.427 15.388 0.036898 -475.00 1.6160 47.875 0.020888 15.471 15.504 42.300 59.651 81.168 1326.1 -0.086840 133.29 0.65879 0.037252 0.45294 2.2078 46.750 50.318 115.59 37.472 54.371 504.09 24.163 15.729 0.038787 -485.00 1.9792 47.207 0.021183 16.281 16.323 43.990 59.010 82.191 1293.0 -0.071893 126.69 0.65168 0.034954 0.55174 1.8125 46.821 50.408 114.27 38.814 57.323 504.68 22.127 16.072 0.040824 -495.00 2.4028 46.507 0.021502 17.102 17.153 45.665 58.401 83.363 1257.9 -0.055036 120.70 0.64373 0.032637 0.66758 1.4980 46.869 50.469 112.97 40.205 60.605 504.74 20.296 16.419 0.043027 -505.00 2.8931 45.774 0.021847 17.932 17.995 47.328 57.824 84.712 1220.8 -0.035903 115.21 0.63494 0.030304 0.80295 1.2454 46.895 50.498 111.69 41.648 64.279 504.21 18.648 16.770 0.045418 -515.00 3.4571 45.003 0.022221 18.774 18.851 48.982 57.281 86.274 1181.6 -0.014030 110.15 0.62533 0.027959 0.96075 1.0409 46.894 50.492 110.42 43.148 68.432 503.06 17.163 17.129 0.048025 -525.00 4.1019 44.192 0.022628 19.630 19.723 50.631 56.775 88.096 1140.5 0.011177 105.44 0.61489 0.025608 1.1444 0.87379 46.864 50.448 109.16 44.710 73.181 501.23 15.820 17.498 0.050888 -535.00 4.8349 43.336 0.023076 20.501 20.613 52.278 56.307 90.242 1097.1 0.040493 101.01 0.60363 0.023253 1.3582 0.73625 46.803 50.362 107.88 46.347 78.686 498.68 14.602 17.882 0.054060 -545.00 5.6640 42.429 0.023569 21.390 21.523 53.928 55.884 92.802 1051.6 0.074951 96.826 0.59153 0.020902 1.6073 0.62215 46.705 50.228 106.60 48.070 85.170 495.32 13.492 18.284 0.057617 -555.00 6.5976 41.463 0.024118 22.299 22.458 55.587 55.511 95.904 1003.5 0.11595 92.820 0.57856 0.018561 1.8983 0.52680 46.565 50.041 105.29 49.893 92.949 491.07 12.475 18.711 0.061672 -565.00 7.6444 40.430 0.024734 23.232 23.421 57.261 55.199 99.735 952.85 0.16546 88.948 0.56468 0.016236 2.2395 0.44652 46.378 49.792 103.94 51.835 102.49 485.83 11.537 19.171 0.066389 -575.00 8.8140 39.317 0.025434 24.194 24.418 58.959 54.964 104.59 899.25 0.22630 85.158 0.54982 0.013937 2.6426 0.37842 46.135 49.470 102.53 53.916 114.50 479.46 10.664 19.677 0.072029 -585.00 10.117 38.106 0.026243 25.192 25.457 60.693 54.828 110.94 842.34 0.30266 81.397 0.53389 0.011673 3.1232 0.32018 45.823 49.062 101.04 56.163 130.16 471.80 9.8442 20.246 0.079006 -595.00 11.563 36.772 0.027195 26.234 26.549 62.477 54.829 119.61 781.60 0.40108 77.602 0.51675 0.0094591 3.7045 0.26994 45.426 48.547 99.450 58.617 151.50 462.60 9.0638 20.903 0.088026 -605.00 13.167 35.277 0.028347 27.337 27.710 64.338 55.038 132.22 716.21 0.53256 73.691 0.49822 0.0073112 4.4223 0.22613 44.919 47.897 97.705 61.338 182.43 451.52 8.3076 21.690 0.10036 -615.00 14.943 33.558 0.029800 28.522 28.968 66.315 55.593 152.54 644.33 0.71830 69.535 0.47808 0.0052528 5.3371 0.18737 44.262 47.062 95.736 64.438 231.63 437.99 7.5564 22.681 0.11850 -625.00 16.908 31.478 0.031768 29.841 30.379 68.493 56.880 192.27 561.45 1.0074 64.884 0.45638 0.0033194 6.5661 0.15230 43.377 45.952 93.410 68.168 323.26 420.87 6.7808 24.027 0.14808 -635.00 19.086 28.682 0.034865 31.424 32.090 71.093 60.388 302.57 459.03 1.5265 59.094 0.43597 0.0015728 8.4010 0.11903 42.079 44.351 90.402 73.345 563.36 397.19 5.9159 26.121 0.20630 -645.00 21.515 23.594 0.042384 33.878 34.789 75.164 75.074 1681.7 325.47 2.7545 49.849 0.48122 0.00017569 12.459 0.080264 39.366 41.093 84.937 87.452 3446.7 346.60 4.6025 31.504 0.45600 diff --git a/examples/gc_pcsaft_functional.ipynb b/examples/gc_pcsaft_functional.ipynb deleted file mode 100644 index 72a382941..000000000 --- a/examples/gc_pcsaft_functional.ipynb +++ /dev/null @@ -1,209 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# The (heterosegmented) group contribution PC-SAFT functional\n", - "In segment-based Helmholtz energy functionals like the one corresponding to the heterosegmented gc PC-SAFT equation of state, the spatial distribution of individual segments is calculated." - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "metadata": {}, - "outputs": [], - "source": [ - "import feos\n", - "import si_units as si\n", - "import matplotlib.pyplot as plt" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Interfaces\n", - "In this example, the vapor-liquid interface of pure 1-pentanol is calculated. From the density profile, it becomes apparent how the polar hydroxy group slightly accumulates on the liquid side of the interface." - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": {}, - "outputs": [], - "source": [ - "parameters = feos.GcParameters.from_json_segments(\n", - " ['1-pentanol'], \n", - " '../parameters/pcsaft/gc_substances.json', \n", - " '../parameters/pcsaft/sauer2014_hetero.json'\n", - ")\n", - "func = feos.HelmholtzEnergyFunctional.gc_pcsaft(parameters)\n", - "vle = feos.PhaseEquilibrium.pure(func, 300*si.KELVIN)\n", - "profile = feos.PlanarInterface.from_tanh(vle, 4096, 100*si.ANGSTROM, 600*si.KELVIN).solve()" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots()\n", - "\n", - "ax.plot(profile.z/(si.NANO*si.METER), (profile.density*si.NAV*(si.NANO*si.METER)**3).T)\n", - "ax.legend(['CH$_3$'] + ['CH$_2$']*4 + ['OH'])\n", - "ax.set_xlabel('$z~~/~~\\\\mathrm{nm}$')\n", - "ax.set_ylabel('$\\\\rho~~/~~\\\\mathrm{nm}^{-3}$')\n", - "ax.axis([2.5,6,0,8]);" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Porous media\n", - "The orientation of polar molecules becomes even more apparent in confined media. Shown here, the orientation of 1-pentanol in a non-polar slit pore." - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": {}, - "outputs": [], - "source": [ - "bulk = feos.State(func, 300*si.KELVIN, pressure=5*si.BAR)\n", - "solver = feos.DFTSolver().picard_iteration(tol=1e-5, damping_coefficient=0.05).anderson_mixing()\n", - "pore = feos.Pore1D(\n", - " feos.Geometry.Cartesian, \n", - " 20*si.ANGSTROM, \n", - " feos.ExternalPotential.LJ93(3.0, 10.0, 0.08)\n", - ").initialize(bulk).solve(solver)" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots()\n", - "\n", - "ax.plot(pore.z/(si.NANO*si.METER), (pore.density*si.NAV*(si.NANO*si.METER)**3).T)\n", - "ax.legend(['CH$_3$'] + ['CH$_2$']*4 + ['OH'])\n", - "ax.set_xlabel('$z~~/~~\\\\mathrm{nm}$')\n", - "ax.set_ylabel('$\\\\rho~~/~~\\\\mathrm{nm}^{-3}$')\n", - "ax.axis([0,1.2,0,11]);" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Branched molecules\n", - "The heterosegmented DFT method is able to describe branched molecules. Note how the isomers 1-propanol and 2-propanol show significantly different orientations in a slit pore.\n", - "\n", - "Due to the symmetry of the 2-propanol molecules, only 3 distinct density profiles are visible." - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [], - "source": [ - "def calc_pore(comp):\n", - " parameters = feos.GcParameters.from_json_segments(\n", - " [comp], \n", - " '../parameters/pcsaft/gc_substances.json', \n", - " '../parameters/pcsaft/sauer2014_hetero.json'\n", - " )\n", - " func = feos.HelmholtzEnergyFunctional.gc_pcsaft(parameters)\n", - " bulk = feos.State(func, 300*si.KELVIN, pressure=5*si.BAR)\n", - " solver = feos.DFTSolver().picard_iteration(tol=1e-5, damping_coefficient=0.05).anderson_mixing()\n", - " return feos.Pore1D(\n", - " feos.Geometry.Cartesian, \n", - " 20*si.ANGSTROM, \n", - " feos.ExternalPotential.LJ93(3.0, 10.0, 0.08)\n", - " ).initialize(bulk).solve(solver)\n", - "\n", - "comps = ['2-propanol', '1-propanol']\n", - "pores = [calc_pore(comp) for comp in comps]" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "f, axes = plt.subplots(1,2,figsize=(15,5))\n", - "\n", - "for pore,comp,ax in zip(pores,comps,axes):\n", - " ax.plot(pore.z/(si.NANO*si.METER), (pore.density*si.NAV*(si.NANO*si.METER)**3).T)\n", - " if comp[0] == '2':\n", - " ax.legend(['CH$_3$', 'CH', 'OH', 'CH$_3$'])\n", - " elif comp[0] == '1':\n", - " ax.legend(['CH$_3$'] + ['CH$_2$']*2 + ['OH'])\n", - " ax.set_xlabel('$z~~/~~\\\\mathrm{nm}$')\n", - " ax.set_ylabel('$\\\\rho~~/~~\\\\mathrm{nm}^{-3}$')\n", - " ax.axis([0,1.2,0,15])\n", - " ax.set_title(comp)" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.13.5" - } - }, - "nbformat": 4, - "nbformat_minor": 4 -} diff --git a/examples/lj_models.ipynb b/examples/lj_models.ipynb deleted file mode 100644 index da941a0bf..000000000 --- a/examples/lj_models.ipynb +++ /dev/null @@ -1,782 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Comparison of equations of state for model fluids\n", - "\n", - "In this notebook, we take a look at various model fluid equations of state and compare them.\n", - "These EoS are:\n", - "\n", - "- The PeTS equation of state (from `feos.pets`),\n", - "- the uv-theory equation of state (from `feos.uvtheory`), \n", - "- the uv-B3-theory equation of state (from `feos.uvtheory` using `Perturbation.`), and\n", - "- the Thol equation of state (implemented in this notebook as Python class).\n", - "\n", - "The PeTS equation of state is for a Lennard-Jones fluid with cut off distance of $r_c = 2.5 \\sigma$ and a potential shift while the uv-theory and Thol equation of state model the full Lennard-Jones potential. Note that the uv-theory was developed to model Mie potentials and not primarily adjusted to the Lennard-Jones fluid. Thus, we don't expect similar results when comparing uv-theory and Thol to PeTS." - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "metadata": {}, - "outputs": [], - "source": [ - "import feos\n", - "import numpy as np\n", - "import matplotlib.pyplot as plt\n", - "import seaborn as sns\n", - "import pandas as pd\n", - "import si_units as si\n", - "\n", - "import warnings\n", - "warnings.filterwarnings('ignore')\n", - "\n", - "sns.set_context('talk')\n", - "sns.set_palette(\"hls\", 8)\n", - "sns.set_style('ticks')\n", - "colors = sns.palettes.color_palette('Dark2', 8)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Implement the Thol equation of state as Python class" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": {}, - "outputs": [], - "source": [ - "# Parameters for Thol EoS:\n", - "A = np.array([1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 2.0, 2.0, 2.0, 2.0, 2.0,\n", - " 2.0, 3.0, 3.0, 3.0, 3.0, 3.0, 3.0, 3.0, 3.0, 3.0, 3.0, 3.0])\n", - "N = np.array([0.005208073, 2.186252000, -2.161016000, 1.452700000, -2.041792000, 0.186952860, -0.090988445, \n", - " -0.497456100, 0.109014310, -0.800559220, -0.568839000, -0.620862500, -1.466717700, 1.891469000, \n", - " -0.138370100, -0.386964500, 0.126570200, 0.605781000, 1.179189000, -0.477326790, -9.921857500, -0.574793200, 0.003772923])\n", - "T = np.array([1.000, 0.320, 0.505, 0.672, 0.843, 0.898, 1.294, 2.590, 1.786, 2.770, 1.786,\n", - " 1.205, 2.830, 2.548, 4.650, 1.385, 1.460, 1.351, 0.660, 1.496, 1.830, 1.616, 4.970])\n", - "D = np.array([4.0, 1.0, 1.0, 2.0, 2.0, 3.0, 5.0, 2.0, 2.0, 3.0, 1.0,\n", - " 1.0, 1.0, 1.0, 2.0, 3.0, 3.0, 2.0, 1.0, 2.0, 3.0, 1.0, 1.0])\n", - "L = np.array([0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 1.0, 2.0, 2.0,\n", - " 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0])\n", - "ETA = np.array([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2.067, 1.522,\n", - " 8.82, 1.722, 0.679, 1.883, 3.925, 2.461, 28.2, 0.753, 0.82])\n", - "BETA = np.array([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.625,\n", - " 0.638, 3.91, 0.156, 0.157, 0.153, 1.16, 1.73, 383, 0.112, 0.119])\n", - "GAMMA = np.array([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.71,\n", - " 0.86, 1.94, 1.48, 1.49, 1.945, 3.02, 1.11, 1.17, 1.33, 0.24])\n", - "EPSILON = np.array([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.2053,\n", - " 0.409, 0.6, 1.203, 1.829, 1.397, 1.39, 0.539, 0.934, 2.369, 2.43])\n", - "\n", - "class Thol:\n", - " def __init__(self):\n", - " self.sigma = 3.7039 * si.ANGSTROM\n", - " self.eps_k = 150.03 * si.KELVIN\n", - " self.tc = 1.32 * self.eps_k / si.KELVIN\n", - " self.rhoc = 0.31 / self.sigma**3 * si.ANGSTROM**3\n", - " \n", - " def components(self): \n", - " return 1\n", - " \n", - " def subset(self, components):\n", - " return self\n", - " \n", - " def molar_weight(self):\n", - " return np.array([1.0])\n", - " \n", - " def max_density(self, moles):\n", - " return 0.04\n", - " \n", - " def helmholtz_energy(self, state):\n", - " \"\"\"\n", - " state (StateHD):\n", - " temperature in Kelvin als Float, Dual oder HD oder HD3, HDD, HDD3,\n", - " partial_density in # / Angstrom^3\n", - " volume in Angstrom^3\n", - " moles in mol\n", - " \"\"\"\n", - " tau = self.tc / state.temperature\n", - " delta = np.sum(state.partial_density) / self.rhoc\n", - " a = 0.0\n", - " \n", - " for i in range(6):\n", - " a = a + N[i] * delta**D[i] * tau**T[i]\n", - " for i in range(6, 12):\n", - " a = a + N[i] * delta**D[i] * tau**T[i] * np.exp(-1.0 * delta**L[i])\n", - " for i in range(12, 23):\n", - " a = a + N[i] * delta**D[i] * tau**T[i] * np.exp(- 1.0 * ETA[i] * (delta - EPSILON[i])**2.0 - 1.0 * BETA[i] * (tau - 1.0 * GAMMA[i])**2.0)\n", - " return a * np.sum(state.density)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Instantiate all equations of state" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": {}, - "outputs": [], - "source": [ - "sigma = 3.7039\n", - "sigma_a = sigma * si.ANGSTROM\n", - "eps_k = 150.03\n", - "eps_k_k = eps_k * si.KELVIN\n", - "\n", - "parameters = feos.Parameters.new_pure(feos.PureRecord(feos.Identifier(), 0, rep=12.0, att=6.0, sigma=sigma, epsilon_k=eps_k))\n", - "uvtheory_wca = feos.EquationOfState.uvtheory(parameters)\n", - "uvtheory_bh = feos.EquationOfState.uvtheory(parameters, perturbation=\"BH\")\n", - "uvtheory_b3 = feos.EquationOfState.uvtheory(parameters, perturbation=\"WCA_B3\")\n", - "\n", - "parameters = feos.Parameters.new_pure(feos.PureRecord(feos.Identifier(), 0, sigma=sigma, epsilon_k=eps_k))\n", - "pets = feos.EquationOfState.pets(parameters)\n", - "\n", - "thol = feos.EquationOfState.python_residual(Thol())" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Compare Helmholtz energies at single state point" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": {}, - "outputs": [], - "source": [ - "s1 = feos.State(uvtheory_wca, temperature=300*si.KELVIN, pressure=1*si.BAR)\n", - "s2 = feos.State(uvtheory_b3, temperature=300*si.KELVIN, pressure=1*si.BAR)\n", - "s3 = feos.State(thol, temperature=300*si.KELVIN, pressure=1*si.BAR)\n", - "s4 = feos.State(pets, temperature=300*si.KELVIN, pressure=1*si.BAR)" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "-0.0016213224956115688" - ] - }, - "execution_count": 5, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "s1.molar_helmholtz_energy(feos.Contributions.Residual) / (si.RGAS * 300 * si.KELVIN)" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "-0.0016138652202999674" - ] - }, - "execution_count": 6, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "s2.molar_helmholtz_energy(feos.Contributions.Residual) / (si.RGAS * 300 * si.KELVIN)" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "-0.0016144150962601575" - ] - }, - "execution_count": 7, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "s3.molar_helmholtz_energy(feos.Contributions.Residual) / (si.RGAS * 300 * si.KELVIN)" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "-0.0009407040108813856" - ] - }, - "execution_count": 8, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "s4.molar_helmholtz_energy(feos.Contributions.Residual) / (si.RGAS * 300 * si.KELVIN)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Compare critical points\n", - "- Reference data for the Lennard-Jones from Potoff and Panagiotopoulos (MC): $T_c^*=1.3120$, $\\rho_c^*=0.316$, $p_c^*=0.1279$" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n", - "uvtheory_b3:\n", - "Tc*=1.31329, Error: 0.099%\n", - "pc*=0.1286, Error: 0.548%\n", - "rhoc*=0.31425, Error: 0.553%\n", - "\n", - "uvtheory_wca:\n", - "Tc*=1.30977, Error: 0.17%\n", - "pc*=0.12448, Error: 2.674%\n", - "rhoc*=0.30233, Error: 4.327%\n", - "\n", - "uvtheory_bh:\n", - "Tc*=1.32083, Error: 0.673%\n", - "pc*=0.13486, Error: 5.442%\n", - "rhoc*=0.31865, Error: 0.838%\n", - "\n", - "thol:\n", - "Tc*=1.32, Error: 0.61%\n", - "pc*=0.13006, Error: 1.689%\n", - "rhoc*=0.3132, Error: 0.886%\n", - "\n" - ] - } - ], - "source": [ - "def evaluate_critical_points():\n", - " names = ['uvtheory_b3', 'uvtheory_wca', 'uvtheory_bh', 'thol']\n", - " print('')\n", - " i = 0\n", - " for eos in [uvtheory_b3, uvtheory_wca, uvtheory_bh, thol]:\n", - " rep = 12\n", - " att = 6.0\n", - " sigma = 3.7039 # in Angstrom\n", - " eps_k = 150.03 # eps / kB in K\n", - " print('{}:'.format(names[i]))\n", - " Tc = feos.State.critical_point(eos).temperature / eps_k_k\n", - " print('Tc*={}, Error: {}%'.format(np.round(Tc, 5), np.round(np.abs(Tc - 1.3120 ) / 1.3120 * 100 ,3)))\n", - " pc = feos.State.critical_point(eos).pressure() * (sigma * si.ANGSTROM)**3 / si.KB / eps_k_k\n", - " print('pc*={}, Error: {}%'.format(np.round(pc, 5), np.round(np.abs(pc - 0.1279 ) / 0.1279 * 100 ,3)))\n", - " rhoc = feos.State.critical_point(eos).density * (sigma * si.ANGSTROM)**3 * si.NAV\n", - " print('rhoc*={}, Error: {}%'.format(np.round(rhoc, 5), np.round(np.abs(rhoc - 0.316) / 0.316 * 100 ,3)))\n", - " i += 1\n", - " print('')\n", - " return\n", - "\n", - "evaluate_critical_points()" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Compare Phase diagrams" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "CPU times: user 11 ms, sys: 0 ns, total: 11 ms\n", - "Wall time: 11 ms\n" - ] - } - ], - "source": [ - "%%time\n", - "vle_uv = feos.PhaseDiagram.pure(uvtheory_wca, 150*si.KELVIN, 500)" - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "CPU times: user 7.9 ms, sys: 0 ns, total: 7.9 ms\n", - "Wall time: 7.92 ms\n" - ] - } - ], - "source": [ - "%%time\n", - "vle_uv_bh = feos.PhaseDiagram.pure(uvtheory_bh, 150*si.KELVIN, 500)" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "CPU times: user 13.1 ms, sys: 0 ns, total: 13.1 ms\n", - "Wall time: 13 ms\n" - ] - } - ], - "source": [ - "%%time\n", - "vle_uv_b3 = feos.PhaseDiagram.pure(uvtheory_b3, 150*si.KELVIN, 500)" - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "CPU times: user 850 ms, sys: 385 μs, total: 851 ms\n", - "Wall time: 850 ms\n" - ] - } - ], - "source": [ - "%%time\n", - "vle_thol = feos.PhaseDiagram.pure(thol, 150*si.KELVIN, 500)" - ] - }, - { - "cell_type": "code", - "execution_count": 14, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "CPU times: user 1.88 ms, sys: 754 μs, total: 2.64 ms\n", - "Wall time: 2.64 ms\n" - ] - } - ], - "source": [ - "%%time\n", - "vle_pets = feos.PhaseDiagram.pure(pets, 150*si.KELVIN, 500)" - ] - }, - { - "cell_type": "code", - "execution_count": 15, - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "
\n", - "\n", - "\n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - "
trhovrholp
00.700.0020120.8432370.001381
100.710.0022840.8391060.001586
200.720.0025840.8348680.001815
300.730.0029120.8305430.002069
400.740.0032710.8261470.002350
\n", - "
" - ], - "text/plain": [ - " t rhov rhol p\n", - "0 0.70 0.002012 0.843237 0.001381\n", - "10 0.71 0.002284 0.839106 0.001586\n", - "20 0.72 0.002584 0.834868 0.001815\n", - "30 0.73 0.002912 0.830543 0.002069\n", - "40 0.74 0.003271 0.826147 0.002350" - ] - }, - "execution_count": 15, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "# import reference data from the NIST database\n", - "nist_data = pd.read_csv(\"data/lennard_jones_nist.csv\", delim_whitespace=True)\n", - "nist_data = nist_data[::10]\n", - "nist_data.head()" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Plot the Phase-Diagrams" - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "s3 = si.NAV * sigma_a**3 # factor to calculate dimensionless density \n", - "colors = sns.color_palette(\"Dark2\", n_colors = 6)\n", - "plt.figure(figsize=(12, 6))\n", - "\n", - "plt.plot(nist_data.rhov, nist_data.t, linestyle=\"\", color=\"k\", marker=\".\", label='MC', alpha=0.5)\n", - "plt.plot(nist_data.rhol, nist_data.t, linestyle=\"\", color=\"k\", marker=\".\", alpha=0.5)\n", - "\n", - "plt.plot(vle_uv.vapor.density * s3 , vle_uv.vapor.temperature / eps_k_k, color=colors[0], label='uv (WCA)')\n", - "plt.plot(vle_uv.liquid.density * s3, vle_uv.vapor.temperature / eps_k_k, color=colors[0])\n", - "\n", - "plt.plot(vle_uv_bh.vapor.density * s3 , vle_uv_bh.vapor.temperature / eps_k_k, color=colors[1], label='uv (BH)')\n", - "plt.plot(vle_uv_bh.liquid.density * s3, vle_uv_bh.vapor.temperature / eps_k_k, color=colors[1])\n", - "\n", - "plt.plot(vle_uv_b3.vapor.density * s3 , vle_uv_b3.vapor.temperature / eps_k_k, color=colors[2], label='uv (B3)')\n", - "plt.plot(vle_uv_b3.liquid.density * s3, vle_uv_b3.vapor.temperature / eps_k_k, color=colors[2])\n", - "\n", - "plt.plot(vle_thol.vapor.density * s3 , vle_thol.vapor.temperature / eps_k_k, color=colors[3], label='Thol')\n", - "plt.plot(vle_thol.liquid.density * s3, vle_thol.vapor.temperature / eps_k_k, color=colors[3])\n", - "\n", - "plt.ylabel(r\"$T*$\")\n", - "plt.xlabel(r\"$\\rho*$\")\n", - "plt.xlim(0., 0.8)\n", - "plt.ylim(1.0, 1.35)\n", - "plt.legend(frameon=False)\n", - "sns.despine(offset=10);" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "**Calculate Errors compared to NIST data (MC)**\n", - "- dimensionless vapor density $\\rho^{v*}$\n", - "- dimensionless liquid density $\\rho^{l*}$\n", - "- dimensionless vapor pressure $p^{v*}$" - ] - }, - { - "cell_type": "code", - "execution_count": 17, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "\n", - "def plot_vle_errors():\n", - " nist_data_subset = nist_data.loc[nist_data['t']< 1.30977] #use only data with temperatures where all EoS are subcritical\n", - "\n", - " fig, axs = plt.subplots(3, 1, sharex=True, sharey=True)\n", - "\n", - " for i, row in nist_data_subset.iterrows():\n", - " temp = row['t']\n", - " rhov = row['rhov']\n", - " rhol = row['rhol']\n", - " psat = row['p']\n", - "\n", - " vle_uvb3 = feos.PhaseEquilibrium.pure(uvtheory_b3, temp * eps_k_k)\n", - " rhov_uvb3 = vle_uvb3.vapor.density * si.NAV * (sigma * si.ANGSTROM)**3\n", - " rhol_uvb3 = vle_uvb3.liquid.density * si.NAV * (sigma * si.ANGSTROM)**3\n", - " ps_uvb3 = vle_uvb3.vapor.pressure() / (si.KB * eps_k_k ) * (sigma * si.ANGSTROM)**3\n", - " err_uvb3_rhov = (rhov - rhov_uvb3) / rhov * 100\n", - " err_uvb3_rhol = (rhol - rhol_uvb3) / rhol * 100\n", - " err_uvb3_ps = (psat - ps_uvb3) / psat * 100\n", - "\n", - " vle_uvwca = feos.PhaseEquilibrium.pure(uvtheory_wca, temp * eps_k_k)\n", - " rhov_uvwca = vle_uvwca.vapor.density * si.NAV * (sigma * si.ANGSTROM)**3\n", - " rhol_uvwca = vle_uvwca.liquid.density * si.NAV * (sigma * si.ANGSTROM)**3\n", - " ps_uvwca = vle_uvwca.vapor.pressure() / (si.KB * eps_k_k ) * (sigma * si.ANGSTROM)**3\n", - " err_uvwca_rhov = (rhov - rhov_uvwca) / rhov * 100\n", - " err_uvwca_rhol = (rhol - rhol_uvwca) / rhol * 100\n", - " err_uvwca_ps = (psat - ps_uvwca) / psat * 100\n", - "\n", - "\n", - " vle_uvbh = feos.PhaseEquilibrium.pure(uvtheory_bh, temp * eps_k_k)\n", - " rhov_uvbh = vle_uvbh.vapor.density * si.NAV * (sigma * si.ANGSTROM)**3\n", - " rhol_uvbh = vle_uvbh.liquid.density * si.NAV * (sigma * si.ANGSTROM)**3\n", - " ps_uvbh = vle_uvbh.vapor.pressure() / (si.KB * eps_k_k ) * (sigma * si.ANGSTROM)**3\n", - " err_uvbh_rhov = (rhov - rhov_uvbh) / rhov * 100\n", - " err_uvbh_rhol = (rhol - rhol_uvbh) / rhol * 100\n", - " err_uvbh_ps = (psat - ps_uvbh) / psat * 100\n", - "\n", - "\n", - " axs[0].plot(temp, err_uvb3_rhov, 'r.')\n", - " axs[0].plot(temp, err_uvwca_rhov, 'g.')\n", - " axs[0].plot(temp, err_uvbh_rhov, 'b.')\n", - "\n", - " axs[1].plot(temp, err_uvb3_rhol, 'r.')\n", - " axs[1].plot(temp, err_uvwca_rhol, 'g.')\n", - " axs[1].plot(temp, err_uvbh_rhol, 'b.')\n", - " \n", - " axs[2].plot(temp, err_uvb3_ps, 'r.')\n", - " axs[2].plot(temp, err_uvwca_ps, 'g.')\n", - " axs[2].plot(temp, err_uvbh_ps, 'b.')\n", - " \n", - " \n", - " \n", - " \n", - " axs[0].plot(temp, err_uvb3_rhov, 'r.', label='uv-B3')\n", - " axs[0].plot(temp, err_uvwca_rhov, 'g.', label='uv-WCA')\n", - " axs[0].plot(temp, err_uvbh_rhov, 'b.', label='uv-BH')\n", - "\n", - "\n", - " axs[0].text(0.7, 2.1, '$Y=\\\\rho^{v*}$')\n", - " axs[1].text(0.7, 2, '$Y=\\\\rho^{l*}$')\n", - " axs[2].text(0.7, 2, '$Y=p^{v*}$')\n", - "\n", - " axs[0].legend(frameon=False, bbox_to_anchor=(1.01, 1.05))\n", - " axs[1].set_ylabel('100$(Y^{MC}-Y^{EoS}) / Y^{EoS}$')\n", - "\n", - " plt.xlabel('$T^*$') \n", - " return\n", - "\n", - "plot_vle_errors() " - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Compare Third Virial Coefficients" - ] - }, - { - "cell_type": "code", - "execution_count": 18, - "metadata": { - "jupyter": { - "source_hidden": true - } - }, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "def plot_third_virial_coeff():\n", - " tvec = np.linspace(0.5, 20, 800)\n", - " \n", - " b3_uv_wca = []\n", - " b3_uv_b3 = []\n", - " b3_thol = []\n", - " for temp in tvec:\n", - " b3_uv_wca.append(uvtheory_wca.third_virial_coefficient(temp * eps_k_k) / (sigma * si.ANGSTROM)**6 / si.NAV**2)\n", - " b3_uv_b3.append(uvtheory_b3.third_virial_coefficient(temp * eps_k_k) / (sigma * si.ANGSTROM)**6 / si.NAV**2)\n", - " b3_thol.append(thol.third_virial_coefficient(temp * eps_k_k) / (sigma * si.ANGSTROM)**6 / si.NAV**2)\n", - "\n", - " plt.plot(1/tvec, b3_uv_wca, '-', label='uv-WCA')\n", - " plt.plot(1/tvec, b3_uv_b3, label='uv-$B_3$')\n", - " plt.plot(1/tvec, b3_thol, '-', label='Thol')\n", - " plt.ylim(-10, 10)\n", - " plt.ylabel('$B_3 / \\\\sigma^6$')\n", - " plt.xlabel('$\\\\varepsilon/(k_BT)$')\n", - " plt.legend(frameon=False)\n", - " return\n", - "plot_third_virial_coeff()" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Compare isochoric heat capacity isotherms" - ] - }, - { - "cell_type": "code", - "execution_count": 19, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "iVBORw0KGgoAAAANSUhEUgAAAloAAAHyCAYAAAAz/GD0AAAAOnRFWHRTb2Z0d2FyZQBNYXRwbG90bGliIHZlcnNpb24zLjEwLjMsIGh0dHBzOi8vbWF0cGxvdGxpYi5vcmcvZiW1igAAAAlwSFlzAAAPYQAAD2EBqD+naQAAnPlJREFUeJzs3Xd4VVXWwOHf7en9kh5CDQLSBQVEiiiIIMaGooJdR9FRHOs4M5ZvdMaxIDOOjoOCOoKKgAUFpSpVekmogfTe6+3n+yPJTWISSEjCzQ3rfZ48yd3nnH3WsZDF3vusrVIURUEIIYQQQrQ7tasDEEIIIYToqiTREkIIIYToIJJoCSGEEEJ0EEm0hBBCCCE6iCRaQgghhBAdRBItIYQQQogOIomWEEIIIUQHkURLCHFBSU9PZ+LEia4OQwhxgZBESwjR5RUVFXHgwIEmj23evPk8RyOEuJBoXR2AEEJ0tMzMTJ566ilGjRrFLbfcAsDJkyd58cUX0Wg0DBkyBH9/fxdHKYToilSyBY8Q4kJgtVr54osv+Oijj8jOziYuLo7f//73XH755a4OTQjRhcnUoRDigqBSqZxf9T8LIURHkhEtIUSn9Oyzz7JixYpzunbQoEF8+eWXzs+JiYk8+eSTDB8+nFmzZjFv3jzef/99XnrpJbRaLW+//Xanmzqsqqri119/JSEhgcTERBISEsjMzATgkUceYd68eW3qf8WKFTz77LNnPe+jjz5i9OjRbbqXEBcyWaMlhOiU0tPTCQkJadReWVlJZWUlQJPHAUaOHNngc3h4OK+++iqDBw8mPT0dgD59+vDJJ5+wadOmTpdkARw8eJD777+/w++jVqsJCgpq9rher+/wGIToyiTREkJ0Sp988kmT7S+88AJffPEF4eHhbNq0qUV9BQYGEhgY2OSx8ePHn2OEHc/f35/+/fvTv39/BgwYwKuvvkpeXl673iM8PJwNGza0a59CiDqSaAkh3EpCQgIA/fv3P6fro6Ki3CKxGDFiBL/++muDtjfeeMNF0QghzpUshhdCuA2bzcaJEyeAc0+03IVGo3F1CEKIdiCJlhDCbZw8eRKLxQJ0/URLCNE1yNShEMJt1E4bAgwYMMCFkXQdhYWFxMfHc/r0aex2O0ajkaFDh3LTTTcxatQoV4cnhNuTREsI4TaOHDkCQHBwMKGhoS6Lo6WlEZrz8ccfd5okpqqqioSEBPz9/bFaraSnp5Oens63335LfHw8L7/8Mlqt/KoQ4lzJ/z1CCLdRO6J10UUXuTQODw+PZktLtIROp2vHaM5Nt27deOSRR5g8eTI9e/ZEr9djt9s5cOAACxcuZNu2baxYsQIvLy9eeOEFV4crhNuSgqVCCLfgcDgYPnw4lZWVPPDAAzzxxBOuDum8mzhxIhkZGe1SsPRMHA4HjzzyCOvXr0etVvPDDz8QGxvbYfcToiuTxfBCCLdw+vRpZ6FSWQjfsdRqNU8//TRQnXRt3LjRxREJ4b4k0RJCuIXa9VkgC+HPh+7duzuLvKalpbk4GiHcl6zREkK4hdr1Wb6+vkRFRbk0lu+//57/+7//O+frFy5cyLBhw9oxIiFEZyWJlhDCLSQmJgLVC+FVKpVLYzGZTOTn55/z9VartR2j6RipqakUFRUBuDyxFcKdSaIlhHALR48eBTrHtGF8fDzx8fGuDuOcKYpyxmRVURT+/ve/A9XrtTrzfpBCdHayRksI0emlp6dTXFwMuL60w/lUUlJCYWGh88vhcADVta/qt1dUVDS6dsWKFcTFxREXF8fOnTsbHMvIyODGG29k2bJlpKWlUfvyucPhYP/+/dx777389NNPANxyyy307Nmzg59UiK5LRrSEEJ1e7bQhdI4RrfPl+uuvJyMjo1H7okWLWLRoUYPzXnvttVb1fejQIQ4dOgSAXq/H29ubiooK5xZHUD1y98c//vEcoxdCgCRaQgg3UJtoeXp6yuhKOwgJCeGFF15g3759HD16lMLCQkpLS9Hr9URFRTF06FBuuOEGhg8f7upQhXB7UrBUCCGEEKKDyBotIYQQQogOIomWEEIIIUQHkURLCCGEEKKDSKIlhBBCCNFBJNESQgghhOggkmgJIYQQQnQQSbSEEEIIITqIFCx1sQkTJlBYWIjBYJCNW4UQQgg3kZ6ejtlsJigoiI0bNzZ7niRaLlZYWIjJZMJkMlFSUuLqcIQQQgjRCoWFhWc8LomWixkMBkwmEx4eHvTq1cvV4QghhBCiBZKSkjCZTBgMhjOeJ4mWi0VFRVFSUkKvXr1YsWKFq8MRQgghRAvEx8eTkJBw1mU/shheCCGEEKKDSKIlhBBCCNFBJNESQgghhOggkmgJIYQQQnQQSbSEEEIIITqIJFpCCCGEEB1EEi0hhBBCiA7ilnW0FEVh3759bNiwgT179nDq1CnKy8vx9fWlf//+zJw5k+nTp6NSqVrdd2ZmJh9++CFbtmwhKysLh8OB0Whk1KhRzJ07l7i4uA54IiGEEEJ0RW6ZaO3YsYO5c+c6P0dHRxMZGUlGRgZbt25l69atrF69moULF6LX61vc7759+7jnnnuoqKhAp9MRFRWFTqcjNTWVFStW8M033/CPf/yDqVOndsBTCSGEEKKrccupQ0VRiIqK4vnnn2fbtm2sW7eOFStWsHPnTv72t7+h1+vZtGkTCxYsaFWfTz/9NBUVFQwdOpQff/yRNWvW8O2337JlyxauvfZabDYbf/zjHykrK+vApxNCCCFEV+GWidagQYNYs2YNd955J8HBwQ2OzZw5k4cffhiA5cuX43A4WtTnyZMnSUlJAeAvf/kLERERzmO+vr68+uqreHl5UV5ezu7du9vpSYQQQgjRlbllouXj44NOp2v2+Lhx4wAoLi4+667atUwmk/Pn6OjoRsf1ej2hoaEA2Gy21oQrhBBCiAuUWyZaZ1M/afLw8GjRNT169HCeu2/fvkbHc3NzSU9PR6PR0L9///YJVAghhBAdpurEMUq3/oxitbosBrdcDH82q1evBqBfv374+Pi06BofHx9+97vf8eabb/Lss8/y/PPPM2rUKHQ6HYcPH+a1117DarXy0EMPERkZeca+li1bxhdffNGi+yYlJbXoPCGEEEK0XGXCITKX/h/4gSnlBN1uu8clcXS5ROvw4cMsW7YMgPvvv79V1z7wwAMYjUYWLVrEY4891uBYbGwsb731Ftdcc81Z+8nLyyMhIaFV9xZCCCFE+1BsNnLWvgdXgwJUFR12WSxdKtHKz89n3rx52Gw2Jk+ezLRp01p1vdVqJS0tjZKSErRarbO8Q0pKCikpKSxfvpxhw4YRFhZ2xn6MRiMDBgxo0T2TkpIaTHUKIYQQom2KN6yhql8Bu4KhQguX+nvT3UWxdJlEq6ysjPvuu4/MzEwGDBjAa6+91uo+HnnkETZt2sS4ceN45ZVXnIvfS0pKeOWVV/jmm2+45ZZbWL169RmnJGfNmsWsWbNadM/4+HgZ/RJCCCHaib20lMJDn3PsSiipKaWZHmhgmIvi6RKL4SsqKrj33ntJTEykT58+LFq0qMVrs2pt2LCBTZs2ERgYyJtvvulMsgD8/f3561//Ss+ePcnOzuazzz5r70cQQgghRDvIX/kZJcOspHnVtXX3HemyeNw+0aqqquKBBx5g//79xMbG8tFHHxEYGNjqfmprYw0aNAhfX99Gx3U6HaNGjQKq14GJru2OO+4gLi6OFStWnJf7paenExcXx8SJE8/L/YQQoisypyRTWrKJI92Aml34ArShDPSf5LKY3Hrq0Gw289BDD7Fr1y4iIyNZvHgxRqPxnPqqqKho1X1F53aue1KuX7+eqKiodo5GCCFER1MUhdwv/kvuWCgw1LVfbrwTjcp16Y7bJlpWq5V58+axfft2QkNDWbJkCeHh4efcX48ePQA4ePAgZWVljUa1rFYrO3fubHCu6LyGDWs8G2+xWJyjkQMHDmxyH0yDwdCoTQghROdXvmsHVYEnOVpvUivaoz+xXq5anVXNLRMtu93O/Pnz2bx5M0ajkSVLljRZzb0ptVMzTz31FFOmTHG2T5kyhTfeeIOioiKeeOKJJhfDnzp1CpVKxYwZM9r/oUS7Wrp0aaO29PR0Jk2qHj5esGCBjFwJIUQX4TCbyV+9mJTp1W8ZAqhQcblxLiqVyqWxuWWi9cMPP7B27Vqgemuc5557rtlzX3jhhQaV3DMyMgCorKxscF5YWBgvv/wyzz//PD///DMTJ05sUN7BYrGgUql48sknpTK8EEII0YkUrf6aqotKOOlX19bfdzwWlTeHKk8x0LOHyxIut0y0LBaL8+eMjAxn8tSUsrKyFvc7c+ZM+vXrx5IlS9i9ezeZmZkoioLRaGTo0KHMnj2b4cOHtyl24X7y8/NZuHAhGzdupLCwkNDQUKZNm8bDDz/c7FRjWloaH3zwAVu3biU3NxcPDw/69etHfHw81113HWq127+HIoQQnYI1N4eifV9z8kaw1vzRqkNPmM8VPJ32HlbFxg2B47gpeIJL4nPLRCs+Pp74+PhzuvbYsWNnPN6vXz9effXVc+pbdD1ZWVlcf/31FBUV0bt3b/R6Penp6bz//vscP36c9957r9E127Zt4+GHH6ayshJPT0/69OlDSUkJv/76K7/++ivr1q1jwYIFaLVu+b+fEEJ0KnnLPqFstJ2UeuUcRgTGs6xoK1bFBkCWtdBF0XWB8g5CdKR///vfDBgwgJ9//plVq1axbt06Pv74Y7y8vNi4cSNbt25tcH5BQQGPP/44lZWVXHvttWzZsoUVK1awfv16/vvf/+Lt7c26det49913XfREQgjRdVQePkBF2W6ORINSMzPoqwnErOvBCVO687xJfq6bjZJEqwtymM3YKyrc7svRCctm+Pn58Y9//IOgoCBn28iRI7nhhhsA2LRpU4Pzly5dSnFxMREREbz22msNCudefvnlPPHEEwAsWbKkVSVFhBBCNKTYbOQu/Yi8yyHfo659dMidfFG4yfl5uHccA7xiz3t8tWTuoovJ+98SStatAUVxdSitp1Lhf+UUjLPnuDoSp2nTpjW5y8CQIUP45JNPSEtLa9D+888/A3Dbbbeh0+kaXXfTTTfx9ttvU1ZWxr59+xg7dmzHBC6EEF1c8U9rsIRmk9itri3C0JfjNge5tmIANKiZHXylawKsISNaXUzJ+rXumWQBKEp1/J1IbGxsk+3BwcFA40K3p0+fBqBv375NXmcwGIiJiQHg1KlT7RSlEEJcWGzFxRT8uJzky6DSWc4BRgTPZmXRL87zJvuPIEIf4poga0ii1cX4T7oaXFwz5Jyp1dXxdyKenp5Ntjf31mBt4lWbiDWldvcCmToUQohzU/DF/zAPNXHSv65tgO8ENlYkUemoXobirfbghqArXBRhHZk67GKMs+cQfOMsFJvN1aG0mkqrRe3mldm9vb0pLS2loKCg2XPy8vKc5wohhGidquNHKTv2C8fvBFvN33n16OnudzX/zfjYed71gZfjq/FqppfzRxKtLkhtMICbJyzuqkePHhw4cIDjx49zxRWN/yZlNptJTU0FoGfPnuc7PCGEcGuK3U7uJx9SOh7S6uVQo4JvZkXRdhxUL53ppg3k6oCRrgnyN2TqUIh2NG7cOAA+++wzrFZro+PLly+nrKwMHx+fJvdjFEII0bySjeuwqFNJ6En1oizAXxOMWh/HnsrjzvNuC7kSnQs3kq5PEi0h2tGtt95KQEAAmZmZPPvss5SXlzuPbd26lTfffBOAuXPn4uXl+iFtIYRwF/bSUgpWfU7WJCiqN2kz1ngPnxasc36O84hmlPdFLoiwaZ0j3ROiiwgODubNN9/kkUce4dtvv2XdunX06tWLkpISZymISZMm8eCDD7o4UiGEcC8Fy5di7V3J0dC6tu6G/iTZ7aRZcoHqQa45IVNcvpF0fTKiJUQ7GzNmDF9//TU333wzQUFBHDt2jOLiYi655BJeffVV/vnPfzZZY0sIIUTTTEknKP11I6fGgklT3aZGxQjjHL4s2Og8b5zvEHp6RLgoyqbJiJa4YERFRZ11r8tan3zyyRmPjxo16ox9xcTE8PLLL3dIbEIIcSFRHA7yPv2IyjFwql45hyF+U1hfdpQyRxUAHio9s4InuijK5smIlhBCCCE6rdJN6zGXnOLIEHDUzAh6qryI9ruStSW/Os+bGTiWQK2va4I8A0m0hBBCCNEp2UtLyf9qKflXQk69+tGXh8zh88KfseMAwKgN4JqAy1wU5ZlJoiWEEEKITin/y8+wd6sksUddWzdtJGZtJHvrlXOYHTIZvbpzroaSREsIIYQQnU7ViWOUbdtE8mQor31/SIFxoQ+xJH+N87x+HjGdqpzDb0miJYQQQohORbHbyfvkI0wj4GS9PaEv8r6UfaY8Mq3V25ypgDnGzlXO4bck0RJCCCFEp1Ky4Scs+ckcHV1/P0MdFwfPYnnhJud5k/yG08MQ7pogW0gSLSGEEEJ0GraSYgpXfE7hlZDpXdd+WdAsVhXvpEqxAOCt9uDmTljO4bck0RJCCCFEp1Gw7FNs/lUk1Ft2FaQOxtNzEJvK9jvbbg6agJ+m829lJomWEEIIITqFyiMJlO3YQupUKKu3gcb4sEf4OH+t83OMvhtX+o9wQYStJ4mWEEIIIVxOsdnI+3gR5oFwvN6yq76GISTZzJw0Zzjb5oRMQaNyjxTGPaIUQgghRJdW9MO3WAsyOTahbgG8TtEwIvQuPitY5zzvUp/+DPDq0UwvnY8kWkIIIYRwKWteLkXfrKBoAqT71bWPDLye1SX7KLFXAKBXaZkdPNlFUZ4bSbSEEEII4TKKopD36UfYfa0cHlzXHqgKINhn9G/2M7wcoy7g/AfZBpJoCSGEEMJlKvbupvLAPlKnQ5m+rn1C2MN8lL8WBwoAYbogrg0Y7aIoz50kWkIIIYRwCYfJRP7/FmPuD8cj69r76Ady2qFwzJTqbJsTMqXT7md4JpJoCSGEEMIlCld9ia20gKNXNlwAf0nY/Xya/6PzvEu8+zHUu4+LomwbSbSEEEIIcd6ZU5Ip/vEHCidARr0F8JcGXM/qkr3OBfA6lZY7Qq52UZRtJ4mWEEIIIc4rxeEgd8kHOPwcHB5W1x5EAIG+Y36zAH4s3dxsAXx97jfZKUQXsHv3bmbPnt2oXaVS4eXlRY8ePZg2bRq33347er2+iR6EEMJ9lW5ch/lUEslzoLy2ArwC48Mf4YP8H5wL4EN1gUwPGOO6QNuBJFpCuMCRI0cA8Pf3p1evXs72qqoq0tLSOHz4MIcPH2b//v288847rgpTCCHana24iILlS6nqDyfqLYDvaxjISYeVY6Y0Z9vckKluuQC+PveOXgg3lZiYCMCUKVN46aWXGhwzmUy8+OKLrFixgrVr15KcnExsbKwLohRCiPaX/9nHOKxVJF4F9poFTAZFw/DQ+3kuY7HzvJHeF7ntAvj6ZI2WEC5QO6LVr1+/Rsc8PDx46KGHnJ+zsrLOW1xCCNGRKg4doPzX7eRMhhyfuvbRgTezsmQHZY4qAAwqHXe68QL4+twy0VIUhb179/KPf/yDW2+9lVGjRjFgwAAuvfRS7r77br755hsURWlT/9999x333HMPo0ePZuDAgYwdO5Y5c+awaNGidnwScT7ExcURFxfX7PGFCxcSFxfHwoULAUhLSyMuLo6LL76Y0tLSZq9bsGABcXFxzJs3r1XxWCwWTp48CTSdaEH1Wq1akZGRTZ4jhBDuxGE2k/fxImzBkFCvAnw3gtF7D2VD6T5n201B4wnR+bsgyvbnllOHO3bsYO7cuc7P0dHRREZGkpGRwdatW9m6dSurV69m4cKFrV5IXFFRwSOPPMK2bducfUdERFBQUMCuXbs4evQo99xzT3s+juhkoqOjGTp0KPv27WPNmjXcfPPNTZ737bffAjBjxoxW9X/y5EmsVisqlarZBHDFihUADBo0iOjo6Fb1L4QQnVHh119hy8vl5D1gqsk+VApMiHyCN/K+d54Xo+/GlIBRLoqy/blloqUoClFRUcyZM4dp06YRHBzsPLZq1SpeeOEFNm3axIIFC/jDH/7Qqn7nzZvHtm3buPzyy/nTn/5ETEyM83hpaSm7du1q12fpCA67GUWxuTqMVlOptKg1BleHAcD06dPZt28f33zzTZOJ1t69e0lLS8Pf358rrriiVX3Xrs+KiYnB29vb2V5RUUFqaipLly7liy++wGg08vLLLzcY3RJCCHdkTk2heM13lA2B02F17Rd7jGS3OZdUS46z7R7jNLQqzfkPsoO4ZaI1aNAg1qxZg06na3Rs5syZZGdn89Zbb7F8+XLmz5+PWt2yGdIVK1awdetWBg8ezHvvvYdW2/Afj5+fH5MmTWqXZ+goeUlLKMlcA5z71KnrqPCPmIKx1xxXB8I111zDq6++yu7du8nMzCQiIqLB8drRrClTprR61LR2fVZKSkqTI1oeHh488MADzJ49m27dup3jEwghROegOBzkLv4PisbB4Umg1Pzd0cuhJ67b7TybXrckZ4LfUOI8Y5rpyT255RotHx+fJpOsWuPGjQOguLiYwsLCFve7ePFiAB566KFGSZa7KMlci3smWQBKTfyuFxgYyOWXX+5cr1ef1Wrlhx9+AFo/bQh1I1rdu3dn2LBhzq++ffvi5eWFyWRi1apVJCcnN7jul19+4c4772TMmDEMHDiQcePG8dhjjznXewkhRGdUsuFHzKeSSJ8ORZ517VcY5/C/wg2YFAsAvmpPbgu+0kVRdhz3zCbOwmQyOX/28PBo0TWpqakcP34ctVrNqFGjOHDgAF999RWpqal4eXkxZMgQbrzxRoKCgjoq7HbhH3G1G49oqfGP6DxvmcyYMYMNGzbw7bffcv/99zvbf/nlF4qKioiKimL48OGt6lNRFI4ePQrAn//8Z8aMaViIr7KykpdffpkVK1bw8MMPs2HDBnx9fQEoKSlhwIAB3HbbbQQFBZGZmckHH3zAzTffzLfffiuL5oUQnY6tqJCC5Z9jjoQj9d79iVFFUqyLZHfBFmfb7JCr8NV4uSDKjtUlE63Vq1cD1W90+fj4nOXsaocPHwYgICCA//3vf7zxxhsN3lxcv349H3zwAQsXLuTSSy9t/6DbibHXHIJjZ8karXYwceJEfH19OX78OEePHnW+IVg7bTh9+vRG66ceffRR8vLyGvX1zjvvYDQaSU5OprKyEqDJaUMvLy+ef/55Vq5cSWlpKVu2bGHq1KkAXHvttVx77bUNzh80aBBTp05l7dq13H333W1/aCGEaEd5n36EYqriyMy6TaO1iorLon7Pi1lfOs/r7xnLFb6Dm+7EzXW5ROvw4cMsW7YMoMEoxNnk5uYC1Qve//GPfzB+/Hj+8Ic/EBMTw+nTp/nrX//Kjh07mDdvHt9++y1hYWHN9rVs2TK++OKLFt03KSmpxTG2VHWy0nkSls5CUZQmF5bXJj6/ZTAYuPrqq1m+fDlff/01/fr1o7y8nA0bNgBNTxsePnyYjIyMRu1msxmoW58VHBxMSEhIk/f18fEhICCAoqIiCgoKzvhMAQEBAGg0XWfhqBCiayjfs4uKPbvIuxwyA+vaR/pM5oeywxTaywDQouFe47Qu++JPl0q08vPzmTdvHjabjcmTJzNt2rQWX1v7y9ZmsxETE8M///lP5zqwuLg43nvvPSZPnkxeXh5Llizh6aefbravvLw8EhIS2vYwot14eXlRWVlJfn4+RqOx0fHfroWqb8aMGSxfvpzVq1fzhz/8gR9//BGTycTAgQPp2bNno/Nrk7Dm1K7Paq5+FlT/t1hWVv0HUP03amvZ7XbsdjuZmZm88cYbGI3GRiNdQgjhSvaKCvI++RC7DySMrmsPcvjgH3AVazPqFsBfH3Q5Efqm/+LZFXSZRKusrIz77ruPzMxMBgwYwGuvvdaq6w2GuhGg2bNnN1ps7+npyaxZs1i4cCG//PLLGRMto9HIgAEDWnTfpKSkBmvKRPvr3r07R44cYf/+/UyePLnBsbS0NLZs2dLMlTBy5EgiIiLIzMxk586dzmnD66677pxiqR3ROlMB1RUrVmCz2dDpdE1OU990003ORL579+4sWbKkyYRMCCFcpeDLpdiLizh5B1TW/DpVKTAh7GEW5q12riKO0IUwI9C9N40+my6RaFVUVHDvvfeSmJhInz59WLRoUYvXZtXy8/Nz/lx/k9/6atvT09PP2NesWbOYNWtWi+4bHx8vo18dbPz48Rw5coS33nqLiy66iKioKKD6BYjHH3/8jLsIqFQqrr32Wv7zn/+waNEiduzYgVarbdVoaX21I1pNJVpms5nFixc7K9Q/+OCDBAYGNjrv9ddfp7y8nLS0ND788EPuuusuPvvsM+dzCSGEK1UdO0LppnWUXQSn6lVquEg3gH32KpIt2c62+7pdi07VJVKRZrn901VVVfHAAw+wf/9+YmNj+eijj5r85XQ29aeBmisdUTvq5XA4zi1Y4RK12zIlJSUxZcoUevTogcPhICkpiT59+jB79mxnaY+mzJgxg//85z/88ssvAIwdO/acRpBycnKc5UYWLVrE559/7jxWWFhIRkYGVqsVtVrN/fffz8MPP9xkP7UJ/+DBgxk3bhwTJ07kP//5T6PNqYUQ4nxzWCzkfvQBigYOTa2rmeXp0NAv7O4Gm0aP9x3CRZ7dXRPoeeSWdbRqmc1mHnroIXbt2kVkZCSLFy9ucg1OS/Tv399ZCiItLa3Jc1JTUwHOuBBedD5+fn4sXbqU+Ph4/P39OX36NCaTiXvuuYfPP//8rKOfffr0oX///s7P51I7C+pGswCOHz/O3r172bt3L/v27SM/P5/evXtzxx138PXXXzN//vwWLQz18/MjJibG+d+mEEK4UtF3q7BmZ5IyHYrrVWoYF3gbSwo2YKl5I95f483skMnN9NK1uO2IltVqZd68eWzfvp3Q0FCWLFlCeHj4Offn6enJhAkT+OGHH1i1ahU33XRTg+OKorBy5UqATl3eQTQtNDSUV199tclj8+bNO+vG0LX/7ttiwoQJHDt2rM391Jefn8/p06eZPn16u/YrhBCtZU5Po2j111RFwLG6v5sSQxjZhkgOlex2ts0JmdIla2Y1xS1HtOx2O/Pnz2fz5s0YjUaWLFnS4o13J06cyMSJE1mzZk2jY4888gharZbdu3fzr3/9C7vdDlS/ifj6669z9OhRDAZDgw2thThfHn74Yf71r3+xbt06duzYwbJly7j99tvRaDTcddddrg5PCHEBUxwOcj98H8VuJyEe7DXZhc6h4pKIR/k4v27Xj2FefbnMp2UvjHUFbjmi9cMPP7B2bfW/NL1ez3PPPdfsuS+88EKDaZ/aGkdN1U7q3bs3r7zyCs8//zzvvPMOn376KVFRUaSmplJcXIxOp+Ovf/1rk6/1C9HRBg8ezJo1a/joo4+wWq2EhYUxatQo7r//flkIL4RwqZKf1mA+dZLsCZAbUNd+qfdVLC/dS4Wj+u16D5Weu43XdNmaWU1xy0TLYrE4f87IyGiyQGSt2npELXX99dfTu3dv/vvf/7J7926OHDlCQEAA1157Lffdd98Z6x8J0ZHuv//+VhXhFUKI88Gam0PBV59j9YOEUXXt3Ry+2PwuY3tO3Ys/twZPIkTn74IoXcctE634+Hji4+PP6dqWrJG5+OKLWbBgwTn1L4QQQlwoFEUhd/EHKBYzR+8AS01WoVZgTNgjvFrwg/Pcvh7RTPa/xEWRuo5brtESQgghhOuV/bKJqsTD5A+DtHrvow3WDWWtKY1CWylQvc3O/d2mo76ApgxrSaIlhBBCiFazFRWSv/QTbB5w+Mq6dn+7Hj/jTNaV7nG2XR90OVH6cyu/5O4k0RJCCCFEqyiKQt4nH+GoquTEDVCpr25XKTA25B4W5dW92d9dH8p1gWNdFKnrSaIlhBBCiFYp37WDir27KO4Hp2Pr2i9S9WKLo4pcWzEAalQ82O06tCqNS+LsDCTREkIIIUSL2UtLyf/kIxwaOHgtULPsytuuISz0dtaU7HSeOyNwDD08zr2YeFcgiZYQQgghWizvs8XYy0pJmgnlHnXtYwNuYVHhepSaz5G6EOIDr3BFiJ2KJFpCCCGEaJHyvbsp37GNsu5wsl5Zyd6OcPZovMiyFgDVg1wPhl6HXu2WVaTalSRaQgghhDgre0U5eUv+i0MFB+JBqZky9LCriAm9m2+LtznPvSbgUvp4yI4VIImWEEIIIVogf+kn2EuKOX0tlHrXtY/ynsqHxT+j1EwahumCuDloooui7Hwk0RJCCCHEGVUc3EfZls2URcKJQXXtsbYgDhnCyLTmAzVTht2uw6DWuSbQTkgSLSGEEEI0y15ZSd7iD1BUcOhGcNRMGRrsEBN2F6tLtjvPvSbgUvp5xrgo0s5JEi0hhBBCNKtg2SfYCgs5PQWKfevaR3pOZHHJDudbhuG6YG6RKcNGJNESQgghRJMqDu6n9OeNlIfC8aF17dE2Pw56xpBtLQRAhYrfhc5EL1OGjUiiJUQH2717N3FxcfTv35/y8vImzzl8+DBxcXHExcXx8ssvN9vXo48+SlxcHM8880yTxy0WC1988QUPPfQQ48ePZ9CgQQwZMoQrr7ySxx9/nDVr1mCz2c4Y77Zt25yxPProoy1/UCFEl1I9Zfif6inDm8FRkzEY7BDdbU6DwqTXBlwmbxk2QwpcCNHBBg0ahMFgwGw2s2fPHq64onEBv127djX582/t3r0bgJEjRzY6tnfvXp544gmysrIACAgIoGfPngBkZmby/fff8/3339OjRw8+/vhjunXr1uQ9VqxY4fx548aNFBcXExAQcPYHFUJ0KflLP66eMrwKivzr2ofqx7CkdHeDwqQ3BU1wSYzuQEa0hOhger2ewYMHA3WJ0m/VJlfR0dGcOHGC0tLSRuckJSVRUFBdDPCSSy5pcGz79u3MmTOHrKwsLrnkEpYuXcqOHTtYtWoVq1atYseOHSxdupQrr7yS06dPO/v5rfLyctatWweAn58fFouF1atXn9uDCyHcVsXBfZT9sonyMDg+oq49yurNPq8Y8urtZVg9ZSjjNs2RREuI86B2BKqp0SpFUdizZw9Go5HrrrsOh8PRZEJW2xYeHk50dLSzvaSkhPnz52OxWLj66qtZvHgxw4YNQ6VSOc9Rq9UMGzaMf/3rXyxYsABPT88m4/zhhx+oqqoiNjaWe+65B4CVK1ee+4MLIdyOvaKC3I8+qC5MelPDKcNuxtlsLNvvPPf6wHH08oh0TaBuQhIt0aXVrjVqzsKFC4mLi2PhwoXOtgULFhAXF8fvf//7Zq9TFIWJEycSFxfHhg0bzhpH7QjU4cOHMZlMDY4dP36c4uJiRowYwYgR1X91bCoh+/XXXxv0VevTTz+loKCAgIAAXnnlFbTaM//NcsqUKcTGxjZ5rDapmjFjBjNmzEClUnHo0CGSkpLO+oxCiK4hf+nH2IsKOXUVlNSbMhysu4xPyvY6P/c0hHN90OUuiNC9SKIlxG/MmDEDqF6f1Nzi9d27d5ORkUFgYCCXX372P2iGDBmCTqfDarWyb9++Rn1BdQI1ePBgtFptk4nWnj17gMbrs7777jtn3H5+fmeNpTmpqanOe8yYMYOIiAhnUld/3ZYQouuq2Lebsi2bKQ2HE/WnDC3ebPcMp8ReAYBOpeF3odejVWlcFKn7kERLiN/o0aMHF198MSaTibVr1zZ5zjfffAPA1KlT0enO/jqzh4cHF198MdB4nVZtUjV8+HC8vLzo378/R44coaKiwnlOWlqac5F7/RGtoqIiTp06BTS9QL41apOpYcOGOacmZ86cCVQ/r91ub1P/QojOzV5eVj1lqIaDN9XfyxD8Qm5mZ8UR57mzgicRpTe6KFL3IolWF2R1mDHbK9zuy+owu/ofndN1110HwLffftvomMVicSZgtee1RG0iVDsFWGv37t34+/s7pzhHjBiBzWZj7966IfraZMxoNDaY9svJyXH+XH/dVmspisLXX38NNHymq6++Gg8PD3Jzc9m6des59y+E6PzyPvkIe2kJJ6dAab3B8QHaS1lavt/5+SKP7kz1v/T8B+im5DWBLubnvCUcKFnj3NzTnahQMdh/CuOMc1wdCtOmTeO1115j586d5OTkEBoa6jy2efNmSkpK6N69O0OGDGlxn5dccgnvvfceBw8exGKxoNfrOX36NHl5eUyYMMG5eH348OF8+OGH7N692zktWZto/XbUqv6ol5eX17k+Ljt27CAzMxOdTsfUqVOd7T4+Plx55ZV89913rFq1inHjxp3zPYQQnVf5rzso37mN4mhIqleYNMbizXq/ACpMKQB4qvQ8FDoTdb2XbcSZyYhWF3OgZK1bJlkACgoHSpqeqjvfgoKCGDNmDA6Hw7kGqlbttOH06dNb1efQoUPRarWYTCYOHToE1E0j1i6Ch+pES6VSNVinVX8dV33e3t7OnysrK1sVT321i+DHjx+Pv79/g2O1a9bWrVtHWVnZOd9DCNE52UqKyf14EXYtHLixbsrQ0wa2wOkk1iRZAHONU+mmC3BNoG5KEq0uZrD/1ahwz79pqFAz2P9qV4fh1NT0YVlZGZs2bQLqEhCoHuW69dZbG3299957znO8vb0ZMGAAUDdC1dSbhIGBgfTq1YuDBw9iNpvJyckhNTUVaDyiVX+kLT09/Zyes6Kigp9++qnRM9UaO3YsRqMRs9nM999/f073EEJ0ToqikLf4vzjKyzg2HSpq/+6mQC/9aFZVHHaeO8q7P+N8B7smUDcmU4ddzDjjHC4LnoVDOfM2K52RWqVFpzZ0SN+KojSoK1XrTKNAkyZNwtvbmyNHjnDy5El69+7NmjVrsFgsDBkyhO7duzvPLSgoaLCmqlb9c6B65OrAgQPs2rWLBx98kN27d+Pp6Un//v0bnDd8+HBOnjzJ/v37ycvLAyA4OJhevXo1OC8wMJCePXty6tQpdu7cyZVXXnn2fxi/8cMPPzj/OcybN++M565cuZJbbrml1fcQQnROZVt/pmLfbgp6Q/KAuvYeFj++99Fic1S/BBOo8eXebtOa/HNUnJkkWl1QdbLSMQmLu/Hy8qKyspL8/HyMxsZvyCQnJzd7rYeHB1dddRUrV67k66+/Zv78+c5pw9+O/MTHxxMfH3/WeEaOHMmiRYvYt28fqampZGZmctlllzV6c3HEiBF8/vnn7Nq1y5lo1Z9erG/atGksXLiQb775hkcffRRfX9+zxlHfqlWrgOoRt+YKmQLk5+ezb98+Tp8+TY8ePVp1DyFE52PNzyPv08VYDXBgZl27jxVyAyeRXnnU2fZQ6HX4as59HeiFTKYORZdWO6K0f//+RsfS0tLYsmXLGa+vnT787rvvyMzMZNeuXY0WjLfG8OHDUavVVFRUsGTJEqDpBKp+4dLmFsLXuv322wkKCqK4uJjnn3/+rJtGr1271plgpqWlOdd/ffDBB2zdurXZr379+gF1iZkQwn0pDge5//03iqmKxOvB5FHdrlIgwjCOn+olWVP9RzHIq1czPYmzkURLdGnjx48H4K233mqwhik1NZXf//73KMqZXxwYNWoUoaGhZGZm8uKLL6IoCmPHjiUoKOic4vH19eWiiy4C4MsvvwSaTrQiIiKIiIhg7969zqrsv10IXysgIIA33ngDnU7H2rVrmTt3Lnv37m3wbIqicODAAR599FEeffRRqqqqgOqpQEVR6N69O8OHDz9j7Ndffz0AX3/9NQ6Ho5VPLoToTEp+WkPV0USyLoaM3nXt3S3BrFJVOT9H6Y3cGtz6JQmijiRaoku7++67iYyMJCkpiSlTpjB9+nSmTZvGVVddhcViYfbs2We8Xq1WM23aNIAmF8Gfi9qEyWw2o9Ppmi0RMXz4cCwWC1CdTPXt27fZPkePHs3ixYsJCwtj165d3HrrrVx66aVcf/31zJw5k0svvZSbb76ZtWvX0rt3b4KDg1EUxTk61ZJ6YNOnT0er1ZKVlcWOHTta99BCiE7DkpFOwZdLMfnA4Wvq2v0tKhL9hlNsr94RQ4uGeaHxsmF0G0miJbo0Pz8/li5dSnx8PP7+/pw+fRqTycQ999zD559/jo+Pz1n7qJ+E+Pj4MGnSpDbFVH9kauDAgXh4eDR5Xv2RrhEjRpx1EeqIESP46aefeOmll5gwYQIGg4GTJ09y+vRp/Pz8mDZtGv/617/45ptv6NatG7/++isZGRmoVKoWJVrBwcHOul6yJY8Q7kmx2cj54F0cNisHbwFrzfJQjQMMnuPYb05znntbyJV0N4S5KNKuQ6Wcbe5EdKj4+HgSEhIYMGCA/PISQgjRoQpWfknR11+RPBoSJ9a1x1gi+MoQjLXmjfUhXr15Ovw2ecvwDFr6+1tGtIQQQogLgOnkCYq+XUlZCBwdX9ceYtawxauHM8ny13jzYLfrJMlqJ5JoCSGEEF2cw2Qi5z//xIGDA7PAUfPbX2+HYu/LSbcVOs99qNtMArRnX1YhWkYSLSGEEKKLy1/6MdbcHI5fBaUBde2BSh9+ttVtTj/VfxRDvHs37kCcM7d8lUBRFPbt28eGDRvYs2cPp06dory8HF9fX/r378/MmTOZPn16uwx7/u9//+Oll14CqusYffLJJ23uUwghhDhfKvbtpnTzBvJj4VS9Ki4hJk9+8vIBhwmAGH2olHLoAG6ZaO3YsYO5c+c6P0dHRxMZGUlGRoazuOLq1atZuHAher3+nO+Tk5PDm2++2Q4RCyGEEOefraSY3A//g8WzesNo6m0YneA9hHJ7MQAGlY7Hwm6UUg4dwC2nDhVFISoqiueff55t27axbt06VqxYwc6dO/nb3/6GXq9n06ZNLFiwoE33+ctf/kJVVRUTJkxop8iFEEKI80NRFHI/+gBbWSmH4sFcr/q7TTOIpJokC+Bu4zVE6kNcE2gX55aJ1qBBg1izZg133nknwcHBDY7NnDmThx9+GIDly5efcwXr77//ng0bNjB79mwGDBhw9guEEEKITqR04zoq9+8hbQTk1NueNMAczM8qq/PzWN9BjPMd7IIILwxumWj5+Pg02oS3vnHjxgFQXFxMYWFhs+c1p6SkhP/7v/8jLCyM3//+9+caphBCCOESlswM8pd9QnkQHJlc1+5j1rDVK4baApphuiDuMV4jpRw6UJecjDWZTM6fm6u6fSavvfYa+fn5/Otf/8Lb27s9QxNCCCE6lGKzkfP+Qmx2C/tvAbumul3rgBSPwRQ7qvcy1KDmsdAb8VQbXBht1+eWI1pns3r1agD69evXoi1W6tu+fTsrVqxg4sSJXHmlvH0hhBDCvRSs+BxzSjLHroLSeqtr7PZYjil1G0bPDplMD49wF0R4YelyI1qHDx9m2bJlANx///2tutZkMvGnP/0JLy8v/vSnP51zDMuWLeOLL75o0blJSUnnfB8hhBCivsojCRT/8B25vSG5XikHD5M3Gz28oGbS8BLvfkz1H+WaIC8wXSrRys/PZ968edhsNiZPnsy0adNadf0777xDamoqzz77LOHh557l5+XlkZCQcM7XCyGEEK1lLy8n5z//wuStcPD6unadVcMez94oigUAozaAB7rNkHVZ50mXSbTKysq47777yMzMZMCAAbz22mutuj4xMZElS5bQv39/7rjjjjbFYjQaW/ymYlJSUoM1ZUIIIURrKYpC7uIPsBUXcmAOWGqWXakUSNfEUVKTZGlQ81jYjfhoPF0Y7YWlSyRaFRUV3HvvvSQmJtKnTx8WLVrU6rVZzz//PA6Hg5deegmNRtOmeGbNmsWsWbNadG7t7t9CCCHEuSr9eSMVu3eSdDkURNW1W63hJOkV5+fZIZPp7RHpgggvXG6faFVVVfHAAw+wf/9+YmNj+eijjwgMDGx1P4mJiWg0Gh588MFGxyorKwHYt28fY8aMAaprdLVlelEIIYRoD5bMDPL/t4SiKDgxrq5dY/ZiuyHA+VnWZbmGWydaZrOZhx56iF27dhEZGcnixYsxGo3n3J/dbic/P7/Z41ar1Xncbref832EEEKI9qBYrWS/txCzxsy+m0CpWXaltmnZZ+iJQvXvKqM2gAe7XSfrslzAbRMtq9XKvHnz2L59O6GhoSxZsqRNI0zHjh1r9tjChQv55z//KZtKizaZOHEiGRkZjdo9PDwICwtj1KhRzJ07l549ezY6Jz09nUmTJgGwfv16oqKiGp1T65lnnmHlypVcf/31rV6rKIRwL/nLl2JOTebgbWCqKfuoKJCs6kF5TZKlRcPjYTfhrWl9XUnRdm6ZaNntdubPn8/mzZsxGo0sWbKE6OjoFl07ceJEAJ566immTJnSkWEK0aTY2FiCgoKA6gWshYWFpKenk5yczMqVK3n33Xe5/PLLXRylEKKzqzi4n5K133P6Usit9/ezMmsY6fq6X+9zjVPp6RHhgggFuGmi9cMPP7B27VoA9Ho9zz33XLPnvvDCC/Tv39/5uXZEoXbdlRDn2wMPPEB8fHyDtqysLJ588kl2797Nc889x6ZNm9r8UoYQouuylRST+99/UxwBxybWtVstvhzW161THuc7mEl+w1wQoajllomWxWJx/pyRkdHkdEytsrKy8xGSEG0SHh7On//8Z6ZPn05ubi4nT54kLi7O1WEJITohxeGorpdlKWHfzaDU7PHisOs4pIumtihpjL4b9xinybosF3PLRCs+Pr7RiEBLnWktVnPmzZvHvHnzzul+wrVqk5Xm/r3Xrr975JFHnP+OFyxYwLvvvsvUqVN5++23m7xOURQmTZpERkYG//73v51T0m0RGVn3yrXVam1zf0KIrql4zXdUJhzi4Cyoqqlk5FBUnCQWk6o6yfJU6fl92M0Y1DoXRiqgi+51KERbzJgxA4CNGzdSXl7e5Dm7d+8mIyODwMDAdltPdfDgQQB0Oh0xMTHt0qcQomsxJZ2g4KvPOT0KcnpXtylAri2CfE3d2MkDodcRoQ9uuhNxXkmiJcRv9OjRg4svvhiTyeRcC/hb33zzDQBTp05Fp2vb3xgLCwv58ccfef755wGYPXs2fn5+bepTCNH12CsqyP73OxSG2zk2qa691BrIKV3dnxnTA0ZzqU//JnoQruCWU4fizMwOKzbF/ep8aVWaTjPMfd1113Ho0CG+/fZbbrjhhgbHLBaLMwG77rrrWt33s88+y7PPPtuoPTQ0lBdffJFbbrnljNfXlnkQQlw4FEUhb/EHVFTmsf+OunVZVXYvjmjDnOcN8IxlVrD8GdGZSKLVxSzJW8Oakl9RUM5+ciejQsUU/5HMMbq+7Ma0adN47bXX2LlzJzk5OYSGhjqPbd68mZKSErp3786QIUNa3Xf98g4A5eXlpKenk5OTw//+9z/69+/PoEGDmr1+4MCB6PX6Zo+npKRQUFDQ6riEEJ1X6eYNlO3ewYHZdfWyLIqWY6ooHDVr3YO1fjwWdiMalUxWdSaSaHUxa900yQJQUFhb8munSLSCgoIYM2YMmzdv5rvvvuOee+5xHqudNpw+ffo59d1UeQeLxcLHH3/M66+/zh133MHy5cvp06dPk9cvWLCgRQVLhRBdgzktlfz/Lebk5ZAfW93mQEWqPYpKbXUZGC0angi7GT+Nt+sCFU2StLeLudp/JCrc81VeNSqu9h/p6jCcaqcFv/32W2dbWVkZmzZtAuoWzUP1KNett97a6Ou9995r0b30ej333nsvkydPxmQysXDhwvZ7ECGE23KYTGS/+za5UVZO1HvvJtsWSq7W0/n5LuNUeslm0Z2SjGh1MXOMU5gVPEnWaP2GoihN1pI5U+HaSZMm4e3tzZEjRzh58iS9e/dmzZo1WCwWhgwZQvfu3Z3nFhQUsHfv3kZ91D+nJYYNG8ZPP/3E/v37W3WdEKJryvvkQ0orMtk/G2r/Dl1oDyBZW1eUdKLfUCb5D3dNgOKsJNHqggxqHQY6x6JyV/Py8qKyspL8/PwmNxxPTk5u9loPDw+uuuoqVq5cyddff838+fOd04b1R7OgbbXd6nM4HAAUFxe3uS8hhHsr/WUTxTt+Zu9dYK3ZprBM8eS4um7xex9DFHcZr3FNgKJFZOpQdGm1I0pNjRClpaWxZcuWM15fO3343XffkZmZya5du9DpdEydOrXdYwXYs2cPgNTREuICZ8lIJ++Tj0i8Gkpq8iozWk4qUThqRucDND48Hn4zOpWMmXRmkmiJLm38+PEAvPXWW6SnpzvbU1NT+f3vf4+inPnFgVGjRhEaGkpmZiYvvvgiiqIwduzYBm8NtgeLxcJ//vMfNmzYAMD111/frv0LIdyHw2wm+923Sb3ITFrNNoUOVJy2R1Glrk6qNKh5IuxmgrS+LoxUtISkwaJLu/vuu/nmm29ISkpiypQp9OjRA4fDQVJSEn369GH27NksXry42evVajXTpk3jww8/bHIR/Ll4//33+fLLL52fa8s71K4Xu/rqq5kzZ06b7iGEcF95n3xInj2dhJoZQQVIs4dRqKlb/H6PcRp9PaNdE6BoFRnREl2an58fS5cuJT4+Hn9/f06fPo3JZOKee+7h888/x8fH56x91C9K6uPj0+aCocnJyezdu9f5dfr0aby9vZkwYQILFizgnXfeQauVvwMJcSEq/WUTBXs2s/cmcFRXbiDHEUSGJsB5zmS/EUz0H+aS+ETrqZSzzZ2IDhUfH09CQgIDBgxgxYoVrg5HCCGEi5jTUkh9+Xl+vclGQY/qtiLFmyNEQ826rH4eMfwx8k60Ko0LIxXQ8t/fMqIlhBBCuJijqpLsf77FsbF1SVYlek4S6UyyQrT+PBF+syRZbqbdE62SkhIee+wxJkyYwP3338/Jkyedx06fPs327dtJSkpq79sKIYQQbklRFHI/+oCU4GxOja5us6LmhCMaa01SZVDp+EP4rVL53Q21+0KQN998k7Vr1+Lv78+2bdu46667WLlyJX/5y19Yv36987y+ffvy+uuv07dv3/YOQQghhHAbJet/JDN5Owfvrv6sAKcckVSo6/Y0fTj0erobQpvuQHRq7T6i9csvv3D55ZezY8cOtm/fTmRkJI8//jjr1q1j/Pjx3HPPPVx11VWcOnWKuXPnkp+f394hCCGEEG7BdOokmauWsOcWcNQMfaQooRSo617UuTloAiN9LnJRhKKt2j3Rys3NZdKkSahUKnx9fZk3bx67du3izjvv5N///jdPPvkkCxYsYPny5VRVVbFo0aL2DkEIIYTo9OxlpWT+6032Xeegyr+6LUsJJFNVV6fvMp8BXB94eTM9CHfQ7omWzWbD27tuDrl3795AdeHH+uLi4rjhhhvYvHlze4cghBBCdGqKw0H2+//k8LDCujcM8SaZuunBXoYIHux2XZP7tAr30eFvHer11XPMXl5ejY717duXjIyMjg5BCCGE6FQKv/6K45qDJNeMQVSi54QSiVKTVAVp/XgyfBYGtexb6+46JNFKSEggJSXlrOd5eHhgsVg6IgQhhBCiU6o4sI+kPV9xuKbyuxUNx5RobPXeMHwq/FYCZXudLqFDyk8vXryYJUuW4OfnR9++fVGpVOzfv59u3boRGxuLRiM1QIQQQlx4rHm5JC99h723gqKp3sPwmBJFlap69kcFzAuNJ9YQ5tpARbtp90Trxx9/JDExkSNHjji/K4rSYGuRHj160KdPH0wmU3vfXgghhOiUHGYzae/+g13TqrB4V5dxOKmEU6qqW1pzW/CVjPDp57ogRbtr90QrJiaGmJgYpkyZ4mzLy8trlHx9//33KIoii/yEEEJ0eYqikPvxf9k9NJXS8Oq2VIzkq/yd50zwG8q1AaNdFKHoKG1KtCwWi3Ox+5kYjUauuOIKrrjiCmdbeXm5M/ESQgghurLSDT+xV/sL2f2rP+fgTwYhzuMXe/bkHuM0GXzogtq0GP4vf/nLOV/r4+PDJZdcwpw5c9oSghBCCNGpVZ04xv4DH3GyphxWMV6cUsKdx6P0Rh4Pu0n2MOyi2pRorVixgi+//LK9YhFCCCG6FFtxMYlf/YND1ygAVGDguBLlLOMQoPHh6fDb8NJ4uDJM0YHalGh5eXnxyiuvkJCQ0KLzFUXhb3/7W1tuKYQQQrgFxWbj1OK/s2tqGQ4tmNFytF4ZB71Kyx/Cb8WoC3BtoKJDtSnR+utf/4rZbObRRx+luLj4jOfWnrd48eK23FIIIYRwC5mfL2LLyFNYvMGGmiNKNGZVdQHS6jION9DLI8K1QYoO16ZEa8qUKdx+++1kZGTw5JNPNnteYWEhd9xxBz/99BMeHjI8KoQQomsr2vQTm0M2Ut4NHMAxIqlU1f3+mxsylUukjMMFoc2V4Z955hkGDx7M1q1bWbBgQaPjSUlJ3HTTTRw8eJCQkBCWLFnS1lsKIYQQnVbliaNsyvuQ/F7VtbKSCKcEH+fx6QGjuTpgpOsCFOdVmxMtrVbL22+/jZ+fH++//z6bNm1yHtu+fTu33norGRkZ9OnThy+++IJBgwa19ZZCCCFEp2QrKmTr1tdIG1q9+D0VI3kEOI+P9hnIrcFXuig64QrtstdheHg4r7/+Ooqi8PTTT5OWlsZXX33F/fffT2lpKWPHjmXp0qVERMhctBBCiK5JsVrZ/fVLHBlbvetJFoENamX194zlodDrUEutrAtKiwuW3nPPPQwcOJABAwbQv39/oqKiGhwfN24cDz74IP/+97+ZNWsWhYWFKIrCbbfdxh//+EfU6g7Zv1oIIYRwOUVRSFz5JrtHZQOQjy+nldDqVe9U18qaH3YLOlWHbDEsOrEW/xvfunUr27Ztc3728/NzJl0DBgxg4MCBzJs3jwMHDrBt2zbUajXPPvssd955Z4cELoQQQnQWaRs/5+d++3DooAQvTigRUDNyFaz149mI2/GWWlkXpBYnWg888IBzn8L8/HxKSkrYtm0b27dvd57j6+tLWFgYKpWKa6+9ljFjxnTIfoaKorBv3z42bNjAnj17OHXqFOXl5fj6+tK/f39mzpzJ9OnTW3Vfu93Ojh072LRpE/v27SM5ORmTyURAQAAXX3wxt9xyC+PHj2/X5xBCCOH+8g9t40ffVVi9qguSHlWiUFTVszjeag+ei7idYK2fi6MUrqJSFEVp7UU5OTkkJiaSkJBAYmIiiYmJZGdnN+y4Jsnx8PCgb9++9OvXj/79+3PRRRe1eUH89u3bmTt3rvNzdHQ0fn5+ZGRkOOt5jR8/noULF7ZoL0aAL7/8kj/+8Y8AqNVqYmJi8Pb2JiUlhfLycgBuueUWXnzxxXZNHOPj40lISGDAgAGsWLGi3foVQgjR8SqyTrM86XlKwhyY0HGIWKw1Yxh6lZbnI+4kzjPaxVGKjtDS39/nNFkcGhpKaGgoEyZMcLYVFhZy5MiRBslXWloaVVVVHDhwgIMHDwLVCVhbN5JWFIWoqCjmzJnDtGnTCA4Odh5btWoVL7zwAps2bWLBggX84Q9/aHG/cXFx3HHHHUyZMgVfX18AbDYbS5Ys4fXXX+fzzz+nX79+3HbbbW2KXwghhPuzlpfy3ZG/UBLjwIKGRGKcSZYaFY+F3ShJlji3RKspQUFBjBkzhjFjxjjbysvLnUlXQkICCQkJJCcnt/legwYNYs2aNeh0ukbHZs6cSXZ2Nm+99RbLly9n/vz5LVqIP3nyZG688cZGo1VarZZ77rmH5ORkvvjiCz7//HNJtIQQ4gLnsNlYs+MZcmLN2FCTSAwm6mZQ7u12LcO941wYoegsOvT1Bx8fH0aOHMnIkXWF2UwmU7v0eybjxo3jrbfeori4mMLCQkJCQs54PkBAQMBZ+/ziiy84ffp0a0IVQgjRBW3c8mdOxxZiR8URoqmkbqH7bcFXMtFvmAujE53Jea+5cD624KmfzLXX/Wr79PT0bJf+hBBCuKedv75NQlQSDuA4kZTh5Tw2PWA0MwLHNH+xuOC0akTr0ksvdZZ06N+/PwMHDiQ6uvPNP69evRqAfv36nXX0q7V9Dh8+vF36E0II4X4OJy5jZ+AOFOAkERTh6zw2wW8ot0nVd/EbrUq0iouL2bZtW4N6Wr6+vlx00UXOeloDBgygR48e7R5oSx0+fJhly5YBcP/997dLn+vWrWPjxo2oVCruvffes56/bNkyvvjiixb1nZSU1NbwhBBCnAen0jayUbMKRQWnCCMff+exkd4Xca/x2nYvZyTcX6sSrSeeeILDhw+TkJBARkYGAKWlpezcuZNff/3VeZ6Xl1ej5KtXr14d/h9gfn4+8+bNw2azMXnyZKZNm9bmPpOSknjmmWcAmDNnDsOGnX3ePS8vj4SEhDbfWwghROeQXXSYNWX/waGHFLqRQ6Dz2ADPHjwSGo9GJTugiMZalWjVHyEqKSlp8DZhYmIiqampKIpCRUUFu3fvZs+ePc7zPTw8iIuLY+DAgc56Ve2prKyM++67j8zMTAYMGMBrr73W5j6zsrK49957KSsr44orruDJJ59s0XVGo5EBAwa06NykpKR2eUFACCFExyioTGFVxqvYPBTSCSaTupJCfQyR/CF8Fnq1bK0jmnZOBUubU1vOoTb5SkhIICUlBYfDUXdDlYojR4601y0BqKio4O6772b//v306dOHTz75hMDAwLNfeAZ5eXncfvvtJCcnM3LkSP773/9iMBjaKeI6UrBUCCE6rxJLLl8cf5IqDwuZBJJMmPNYd30oL0TOwUcjL0ldiDq0YGlzmirnUFpayuLFi1m8eDGVlZXteTsAqqqqeOCBB9i/fz+xsbF89NFHbU6yCgoKmDNnDsnJyQwdOpT33nuvQ5IsIYQQnVelrZgVJ56lysNCDv4NkqwIXRDPRdwhSZY4qw4Z67TZbGzdupUff/yR9evXU1JSQu3AWUu3xGkJs9nMQw89xK5du4iMjGTx4sUYjcY29VlcXMxdd91FUlISAwYM4IMPPsDb27udIhZCCOEOzPYKvjrxPGWGCvLwI4lw5zGj1p/nI+fgr5XfDeLs2i3Rslgs/PLLL6xdu5ZNmzZRVlbmTK48PT0ZN24cV199NVdccUW73M9qtTJv3jy2b99OaGgoS5YsITw8/OwXnkF5eTl33303x44do2/fvixatMi5FY8QQogLg8VhYmXSnynSFZCPLyeIAKpf5grQePN85J2ySbRosTYlWlVVVWzevJm1a9eyefNmqqqqnMmVr68vEyZM4KqrruLyyy9v16k3u93O/Pnz2bx5M0ajkSVLlrS4ntfEiRMBeOqpp5gyZUqDZ7n//vtJSEigZ8+eLF68uM1TkEIIIdyLzWHhm+RXyFWnU4APx4mkNsnyU3vyQuRcwnRBrg1SuJVWJ1rl5eVs3LiRH3/8kS1btmAymZzJVVBQEJMmTeKqq67isssuQ6vtmLcwfvjhB9auXQtUT0U+99xzzZ77wgsv0L9/f+fn2rIUv10v9vHHHzd4S/KRRx5pts933nmnzVOUQgghOhebYuW7tL+R6ThJEd4cJ4raJMtHZeCFyLlE6s++pZsQ9bUqE3rwwQfZtm0bVqvVmVyFhoYyefJkrrrqKkaMGNGiDZzbymKxOH/OyMhwJk9NKSsra3Wfp06dOuO5ZrO5RX0KIYRwDw7FzpqMt0i1JlCEN0eJQqlJsrxUep6PnEO0oZuLoxTuqFWJ1qZNm4DqDZhvuOEGrr76agYNGtQRcZ1RfHw88fHx53TtsWPHmmyfN28e8+bNa0tYQggh3JBDcfBj9j85ZdpLsTPJqh408FBpeTbyDnp4tG0NsLhwtXpuT6VSUVJSwsqVKzl27FiDvQ87476HQgghRHMUxcH63Pc5XrGdYrwaJFkGNDwbcQd9PKJcHKVwZ61KtMLDw8nKygKgsLCQLVu2sHXrVudxPz+/Blvv9O/f36X7HgohhBDNqU6y/sORss01SVY0jvpJVuSdxHnGuDhK4e5alWht3LiRoqKiRtXf09PTgepteXbs2MHOnTud19Tf97A2AevTp0/7PoUQQgjRCoriYEPef0ks29REkqXmmcg76CdJlmgHrZ46DAwMZMyYMYwZM8bZVlpa6tzvMDExkcOHDze776FKpSIxMbH9nkAIIYRoBUVxsDHvQxJKN1CEN8eI+k2SdScXeXZ3cZSiq2iX+gt+fn5cdtllXHbZZc628vJyjhw50mDT6dOnT9OOWysKIYQQraIoDjblfcTh0nX13i6sTrL0qHg68g5JskS7alWitX37dkaNGtWiEg4+Pj5ccsklXHLJJc62qqqqdt9QWgghhGiJ6pGsRRwuXU8hPhyrV8JBr6h4NmqOJFmi3bUq0brrrrvw9/fniiuuYOLEiYwbNw4vL68WX+/p6cmwYcNaHaQQQgjRFg7FwYbc/5BYtokCfDlOpDPJ8lBUPBt1F3Ge8ua8aH+tSrTi4uI4duwY33zzDd9++y06nY7LLruMiRMnMnHiRKmWLoQQotNxKHZ+yv03x8q2kIdfg70LPRUVz0XfLSUcRIdpVaL19ddfk5mZyfr161m3bh179uxh8+bN/Pzzz7z44osMHDiQK6+8kkmTJtGrV6+OilkIIYRoEbti46ecdzlevo0c/EkinNoky8uh4vmYe+nlEeHaIEWX1urF8BEREdxxxx3ccccdlJaWsmnTJtatW8eWLVs4ePAghw4d4q233iImJoZJkyYxceJEhg8fjkql6oj4hRBCiCbZFCtrs98hqWIXWQRymjDnMW+7ij/G3kcPg1R8Fx2rTW8d+vn5MWPGDGbMmIHFYmHHjh2sW7eOjRs3kpKSwocffshHH31EYGAgEyZMYOLEiYwdOxaDwdBe8QshhBCNWB1mVme9QWrVQdIJJpW6fQr9bPCnng8RpZflLqLjtUt5BwC9Xs+4ceMYN24cAAcPHmTdunWsX7+epKQkvvrqK1asWIGHhwejR49m0qRJTJo0CX9///YKQQghhMBsr+TbrL+RYTpGGkbSCXEeC7TCn3vPI0wX5MIIxYWk3RKt3xo0aBCDBg3iiSeeICUlxbmua//+/axfv54NGzaQmZnJI4880lEhCCGEuMBU2Uv5OvM1csynOE0o2dQlVCFm+HOfxzDqAlwXoLjgdFiiVV/37t25++67ufvuuyksLGTDhg1s2LABT0/P83F7IYQQF4ByWyGrMv9KviWdk0SQT92MSWiVwp/jHidIL7Mo4vzq0ERr48aNTJgwoUFbUFAQN954IzfeeGNH3loIIcQFpMiSyarMv1JsK+A4URTh6zwWU67wwoA/4KvzdmGE4kJ19hLvbfDQQw9x5513cujQoY68jRBCiAtYrukUyzP+QpGtkCNEN0iy+hQrvDjgaUmyhMt0aKL12muvkZGRwc0338zjjz9OWlpaR95OCCHEBSat8jBfZbxEib2Sw3SnlLqEamCuwguDn8FTJ8tUhOt0aKI1c+ZM1qxZw9NPP8327du55ppreOWVVygqKurI2wohhLgAnCjfwdeZr1GqODhEdyrxcB67JMPB08OfQa/zOEMPQnS8Dk20AHQ6HXPnzmXdunXcfffdfPXVV0yePJn3338fs9nc0bcXQgjRBe0v/oEfshdQgpZDdMeM3nlsQpKD31/6HDqDJFnC9To80arl4+PD448/ztq1a7nmmmtYuHAhkydPZvny5ecrBCGEEG5OURz8kv8JP+cvoRgvEuiOrd57XTMSFO6b8DwaKYwtOonzlmjV6tatG3/5y194++23sdvt/OlPfzrfIQghhHBDNsXKmpyF7CteTS7+HCEaR82vMbWicNteFbOmPodarz9LT0KcPx1a3sFut5OcnMzJkyc5ceIESUlJnDx5kuTkZGw2G4qidOTthRBCdBEmezmrs94g3XSEdEJIo277HL3dwdydWsbPelqSLNHpdGiiNXjwYOx2uzOh8vLyom/fvlx//fX07dvX+SWEEEI0p9iSzbdZf6fAmskpwsklwHnM22zjvu0GRt75lCRZolPq0ETryiuvJC4uzplQRUdHd+TthBBCdDGZVUf5LusNKhwVHCOaYnycx0LKzDy4O5ABc3+PSqdzYZRCNK/VidapU6cwmUz07dsXrfbMl7/99tvnGpcQQogL3NGyLazLeY8q4MhvyjfE5FbyQGI4Pe96BNVZfhcJ4Uqt+q/T4XDw6KOPkpSUxPDhw/n00087Ki4hhBAXKEVxsLPwK34t+opyPDhCFFbqRqwGnCplbkZvou5+AJX6vL/TJUSrtCrR+vnnnzl58iSenp688cYbHRWTEEKIC5TFYeKnnHdJqviVQnw4TqTzzUKAMbsLuNk6hG5z5kqSJdxCqxKtNWvWoFKpuOOOOwgNDW3xdX/961/Jzs7msssu49Zbb211kEIIIbq+Umse32W9Tp4llSwCSSYUUAHV5RuuXZvN1RETCbrlJlQqlWuDFaKFWpVo7d+/H4Bp06a16iZz587lqquuYt26dVxxxRVERES06nohhBBdW0bVEb7PeosKRymnCCOXQOcxg9XOrC8zuOzSGwi46hoXRilE67Vq3DU3NxeNRkNcXFyrbhIREcFVV12FoiisX7++VdcKIYTouhRF4WDJj6zMeIVSRwWJxDRIsgLKLdy/OI2xV86VJEu4pVYlWna7HW9v77Of2IRrrrkGRVHYtWvXOV0vhBCia7E5LKzLfY9NeR9ShpaDxFJK3e+YmKxKHlqcyZDbHsV39OUujFSIc9eqqcPg4GCysrKwWCzoW1kYbvjw4QCcOHGiVdcJIYToekqtuazOfos88+maRe8RONA4jw85XEz8xnKiH3kGzz6tm0URojNp1YhWt27dADh+/HirbxQYGIjBYCA3N7fV1wohhOg6UisPsiztOXLNp0kjhKNEO5MslaJw9focbtlqJ/bZFyXJEm6vVYnW6NGjURSF5cuXn9PNPD09MZvN53StEEII9+ZQHOwsXM6qzFcpd1RyjKiGexZa7cz+Ip0rswOI/uNL6MPkxSnh/lo1dXj11Vfz7rvvsmrVKm6++Wb69+/f4mutVivl5eXnvMarPkVR2LdvHxs2bGDPnj2cOnWK8vJyfH196d+/PzNnzmT69Onn/Prv2rVr+fTTTzl69ChWq5Xu3bszY8YM7rzzTnSyzYMQQrRapa2EtTn/JK3qEFXoOUoUVRicx4OLzMz+PJ3YyIGE/e5R1AaPM/QmhPtoVaIVFxfHtGnTWL16NY888ggff/wxUVFRLbp237592Gw2IiMjzynQ+nbs2MHcuXOdn6Ojo4mMjCQjI4OtW7eydetWVq9ezcKFC1u9luxvf/sbH374IQAxMTF4enpy4sQJ/v73v7Nx40Y+/PDDVvcphBAXsoyqI/yQvYBKezGF+HCCCOz11mP1PVnOTSszCBs7mZDb7kSl0ZyhNyHcS6vL6j799NOEhISQmZnJzJkzWb16dYuu+/e//41KpWLkyJGtDvK3FEUhKiqK559/nm3btrFu3TpWrFjBzp07+dvf/oZer2fTpk0sWLCgVf3+9NNPzkTq3Xff5aeffuKbb77h22+/JSoqil27dvHmm2+2OX4hhLgQOBQHuwpXsiLjJSrsxaRg5CjRDZKsK7bkc/uXGcTcPBfjHXdJkiW6nFYnWt26dWPx4sUEBgZSXl7Ok08+ya233soPP/yAyWRqdH5BQQHz589n+/btqFQqbr755jYHPWjQINasWcOdd95JcHBwg2MzZ87k4YcfBmD58uU4HI4W9/vPf/4TgPvuu49JkyY523v16sUrr7wCwP/+9z8KCwvb+ghCCNGlldkKWJnxMtsLP8eMmkRiyCDEeVxvsTNreTpX76wg6vFn8J90lQujFaLjnNOW571792bZsmXMnz+fw4cPs3//fvbv349Wq6V3796EhYWh0+nIzc0lISEBm80GwF133UXPnj3bHLSPj88Zj48bN4633nqL4uJiCgsLCQkJOeP5AMnJyRw9ehSAW265pdHxyy67jO7du5OSksL69eu56aabzi14IYTo4pLKd7Mu513MSiVleHKMSCz1NoU25pm5bXk6EZpAwl94Cn1E25eUCNFZnVOiBdC9e3eWLVvGp59+yocffkhubi5Wq5UjR444ExaonuYDuP3223nyySfbHnEL1B9Z8/Bo2YLK2u2FoqOjm93Hcfjw4aSkpHDgwAFJtIQQ4jesDjNb8j/lUOlPKEAmQaTSDYW6F5MuTihh5ndZBPQdSNhDj6Lx8XVdwEKcB+ecaAFotVrmzp3LbbfdxubNm/nll184fPgw+fn5WCwWQkJCGDp0KDfddBODBg1qr5jPqnbdWL9+/c46+lUrOTkZqF4A35zaY6dPn25bgEII0cXkmJJYk/U2JfY8rGg4SThF1CVRarvClHU5XLariMBrZhB84yxU6lavXhHC7bQp0aql1+uZPHkykydPbo/u2uTw4cMsW7YMgPvvv7/F15WUlADg7+/f7Dm1x0pLS8/Y17Jly/jiiy9adN+kpKQWRiiEEJ2PXbGxq+ArdhWvQkFpcqrQv8TKLSsz6J7roNvvHsN35GUujFiI86tdEq3OIj8/n3nz5mGz2Zg8eTLTpk1r8bW1hVTPVCertqxDU4v+68vLyyMhIaHF9xZCCHdUaMlgTeYb5NsyUYAMgklVjFCvhmHciTJu+CYLf98Qwl6YjyG6+VkDIbqiLpNolZWVcd9995GZmcmAAQN47bXXWnW9wVBdOM9qtTZ7jsViAc6+7stoNDJgwIAW3TcpKemsiZsQQnQmDsXO7oLl/Fr0NQ6VAzNaThBRvSF0TY6ldihctSGX0TsK8R0xim53P4DGy8u1gQvhAl0i0aqoqODee+8lMTGRPn36sGjRohavzarl5+cH1E0hNqX2WO25zZk1axazZs1q0X3j4+Nl9EsI4TbyTMn8mPkPChz5oIJCfDhJOLZ6v05qpwpjsq2E3D4X/0lXn/NOHUK4O7dPtKqqqnjggQfYv38/sbGxfPTRRwQGBra6nx49egCQkpLS7DmpqakAxMbGnlOsQgjhruyKjR3Zi9hbvhFFBXZUJBNKDg3/vB2YUMp132fh6xdC2POP4dGjl4siFqJzcOtEy2w289BDD7Fr1y4iIyNZvHgxRqPx7Bc2YfDgwQCkp6eTk5PTZImHPXv2ADBkyJBzjlkIIdxNavE2NuR9QKmqClRQhgcniMBUb69CncXBtWuzGXagBN9LR2O84x407bC3rRDuzm0TLavVyrx589i+fTuhoaEsWbKE8PDwc+6vR48e9O3bl+PHj/P555/z6KOPNji+fft2UlJS0Ol0DarGCyFEV1VhymZT+hskkQYqcADphJChhKDUmwoMzzZx88oMQis1GO9/BN/RY10XtBCdjFsWMbHb7cyfP5/NmzdjNBpZsmQJ0dHRLbp24sSJTJw4kTVr1jQ69sgjjwDwwQcfsGHDBmf7qVOn+OMf/wjAbbfdRlBQUDs8hRBCdE52WxV7kxfwaerj1UkWUImew0os6RidSZZKURi3NZ8HPjxNdHAPol/6myRZQvyGW45o/fDDD6xduxaoLrnw3HPPNXvuCy+8QP/+/Z2fMzIyAKisrGx07tVXX82cOXNYsmQJDz30EDExMXh5eXHixAnsdjvDhw9n/vz57fw0QgjROTjsZpIzvmBbxRoKdXZQ46zwnqYYcajq/m4eUGzhxq8zic20EHT9LQROu04KkArRBLdMtGrLLEB14lSbPDWlrKysVX0/99xzDB06lM8++4wjR46Qm5tLr169mDFjBnPnzj1jnS0hhHBHDruZ/Kw17Cz6imQPC0rNH3OV6ElSwilTeVFvFx2G7S/mmh9z8I+MpduLD2GIatmMghAXIrdMtOLj44mPjz+na48dO3bWc6ZOncrUqVPPqX8hhHAXdms5RZlrOFT4Lce8zFg8q9udo1h0w1FvLZZvmZXrvs+m32kTwdffQsCUa1FpNK4JXgg34ZaJlhCiMUVRcNgqsFmKsFkKcdgqcNhNKPYqHDYTDoeZ6l+hdVQqDSq1AbXGA7XGgErjgUbri0bvh0bnh0bri0otf0x0NVZTPsWZ35NU8BNHfKyU1dvXuRwPThNBWb03CgEGHyph2tpsgqL70O3F+9BHRp3nqIVwT/InqBBuxmGrxFKZgaUyveYrA6spG5u5CMVhbvf7qbW+6AzBaD1C0BpC0BqC0XmEovMMQ+cRilpjOHsnwuUURaGqJIGSzLXklOziiC/k1SuBZUdFBt3IIKhBOu5TZuO677MYkAkht92H79grZC2WEK0giZYQnZiiKNhMOVSVHsdUegxT6TEslennNQaHrQyzrQxzRXKTx7X6IHSe4ei9otB7RaL3jkbvFYlGd+YdFMT5YbdVUJa7hZLMHyk1Z3DCF9JDaLDmqghv0lXdKVMajngO21/MlHU5hF4yjpBHb0PjK/9OhWgtSbSE6GQcdgtVJYepKNhLZeFebJbC1nWg0qI1BKHR+qDWeKLWeKDSeNaMPNX8dlWpQFFQFBuK3YzDYUaxm3DYq7Bby7BbS1EcljPeppbNUojNUkhVScOtpDS6AAw+3dF7x2Dw7o7euzt6rwhUKlnT09EUxUFV8SFKczZTkb8LM1aSfCDFHxz1EiwzWrJVvchQ1FAvyQoqtHDd91n0J4yQ+X/Gs0+cC55CiK5BEi0hOgGH3URFwS7K8rZTVXz4rEmOSqVDSxBqux/qKg9UlTpUJi2YNFDlQLHaQFFQqVWgVqOoLDjUdlQGA2q9vua7AZWHJxpvb9Re3tXfvX3Q+Pqh8fVFwYrdWlq95stUgM2cj82cj9Wch7UqB6spBxR7szHarcVUFhVTWXSgQdx672gMPrEYvGMx+PRA790dtUbfbv8sL1SKomCuSKY8bwflub9gsxRiVcFpb0j2Blu92T4FKFZ3J8nujaXeRKHaoTBmRwFXHrQRfv1cfC8bK9OEQrSRJFpCuIiiOKgqOUJZ7s+U5+9EsZuaPVdVZYA8FUqqGbIVlBIrVnKAnA6LT+3ji8bPD42vH9rAQLQBgWj9u+ERGIc2MAhNTAB4KdiseVgqM2vWjaVhqUzHYatosk9FsWIuP4W5/FT9O6H3iqpOvnx61HzFotZ4dNizdRWKomCpSKY8fwfleTuqk1+oTrB8GidYAGZ1KClWI/nYQVWXZEWnVXLdugIuGnE1gf83HbVB/vkL0R4k0RLiPLPbKinN3kBJ5lps5rymT7IC6UBa9Zdiav9F7mfjKC/DUV6Glebr1KFSofEPQBscgi7EiKexHz4hY9EEeaP4WrFpirFWpWEuT8VSldHMCJgDS2UqlspUynJ/ru0YnWe4M+mqHv2KRaPzbeL6C4vDbqKy+DCVhfuoLNzXYGrZrIZkL0hpIsFy4EeeOZokgwM0df8ePCttXL2pgAlBlxD8h+vRBgScpycR4sIgiZYQ54m1KpvizDWU5mxqevTKApwGTgHZVG8s15Sa5Ebj61c94uTnj8bbB5Vej0qnq54a1OlApQaHA0VRqr877ChmM4rFgsNsRjGbcJiqsFdU4KisqP5eXoZitbb8oRQFe3ER9uIizEknGh/XaNCFGNF1C8UjtC/qcA+UAAd2QxlWWxaWitRmpkkVrFWZWKsyKc/b6mzVGoIxeMei9+6OwTsGvXcMOs8wVKquO73lcFgwlZ7AVHKEqpIjVJUeA8XW4JwqDZzyhjSvhmuwADR4UVkWwwFPBZuh4X9Uw/YXc2NVHNGzH0MXHNLRjyLEBUkSLSE6mKUyg8KULynP38lv61jhADKAE0AqUH/AR6VCHxmNR89e6MIj0YeFowsLR2fshkrbcf/rOswm7KWl2EtLsJeWYistwV5chK2oCFtxEfaiQmxFhdhLS87emd2ONScba042HGp4SKXXow0PRxsbhDpcj+Jvxa4txmLJRHE0PY1qMxdgMxdQUbinrh+1vuaNx6i6Nx+9otB6GN0uAat9y9RUfgpz2SlMZUmYy06iKE0nv6Xa6jVYmZ6g/CbB0ikeOHJC2eejo9xXRf3XDKMyqrglN4rB4x5AHxrWgU8khJBES4gOYq3KoTD1K8pyf6FRgmUGjgKJQO22myoVHnH98Oo/EI/effHo2Qu1p9d5jRlAbfBAbfRAZ+x2xvMcFgu2okJshQXY8vOw5ufVfc/LwVZ45rclFYsFa0oK1pSUhge0WnR9ItF09wWjCodXFTYlD4e9mXVfDksT674AlRadRyh6z7Dqml+eYWgNIegMRrQeIS5dA6YoDuyW4pp1bRlYqjKwVmZgrkhpdn2b81ogz8tAqq+BXHVpo+MeNgO6JF/2BfmSG9bwGX3LbczMj2Ty8JvRBwa15yMJIZohiZYQ7cxmKaYw5UtKczY1XpNUAiRQPYJlA5XegNfwwXgPG4H3oCFuVadIrdejDw1rdkTEYbFUJ1452Vhzs7HkZGPNysSSlYm9uKj5jm02rEcysB75zf1CfdH2DkIdYUDxs2PXlmCzFdAoia2l2LBWZWCtanqNmVrri9YQhFYfgEYfgEYXgFbvj1rrjUbrjbr2S+OBSq1DpdKh0uhRqX77x6aC4rChOMw47Jaa7ybstnIc1tKachll1WUwTLVvbhY0mv47E5XagNqvF1k+Bo6TQqm9kOpsvY5XhQ6f/RoORRhJivNpcExrU5hUGsZN/WfhMySgxfcVQrSdJFpCtBPFYaMkay2FKctx2KsaHiwG9lG9/gow9OyF/xWT8Bk1GrVH13y7S63Xo4+IRB8R2eiYo6oKS04W1swMLJnpWDKqv1tzcxrUc2pwTU4ZlpzfbBJv0KDrG4omxhdViBaHlwU7Rdgs+WeNz2Erw2Irw1KRctZzz7fqFwF64uHbkzIPb47ZjnC8fAc2e+OXIvyzVPgl6DgUZSRxTONE/TJbFLf1jMeoD2x0TAjR8STREqIdVBYdIv/UksZV28uoTrBOgkqnx3fiFfhfMQlD91gXRNl5qD098YjtiUdszwbtDosFS2YGlvRULOmpmNPTsKSlYi8pbrojsx3roUysv1n/pekWjL5XKOpIH1RBWhQvG3ZVGTZL9RqvM9X/Op80On/nmjKdVwR6r2gMPj2wqeB4+TYSSjeQW3Sq8YUOCDsGAYk69vYJYc0kfxRVw0VaF2kiuCN8Gj09Is7T0wghmiKJlhBtYLOUkJ+0mPL87Q0PmIG9wFFQaQ34T7mKgKnXovXzd0WYbkOt1+MR2wOP2B4N2m2lJVhSUzCnpdR8T8WSmQ6Opl/NtOcWUJVb0KBNpdWhC4/AO3IUushg1KHeqAMM4Klgt5dhsxRht5bhsJXjsFVgt1XisFW0fv9IlRa1xlBdmV/nh0bnW/Plj84QUrNnpBGdIRi1tm4NnqI4SK9KIDF/ESfLf8VO4wXwukqI3g8+J3XsHBzCgev9cagbJlix+jBmBU9isFcvVL9JvoQQ558kWkKco7K87eSd/BCHrd50lgIcA/aASjHgP3UKgVdPQ+PnPmuvOiOtnz/agYPwGjjI2eYc/UpNxpyWgjm1OglzVFU22Ydis2JJS8GS9pupQpUKbYgRfWg4utAwtCH90AUb0RpD0AaHoPbxBZUdxWFFcVhQHFaq3+Cr3c4IVCotarWhZg1Xy7YYUhwOLPl55OQd5ETVTk4ZTlBpqGry3MA0iNkD2hw9v1wWzIHb/VF+k2BF6IK5OXgiI70vQi0JlhCdhiRaQrSSzVJCXtKHVOTvbHggF9gO5IPvmHEE33Qr2gBZF9NRmhr9UhQFW0E+lrSaUa+0VMxpqVhzsppd+4WiYMvLxZaXC4cPND6u0dRsS+SHxt8fja8fag8P1B6ezu8qnQ7UKlCpnaNIDku9mmUWC46KcmwlJdhLSyhRFZIeWUJmfwflRkDX+La6Sog8DFH7oVTrwc9ju5F4nXejMg6hukCuD7ycy30Ho3GzchZCXAgk0RKiFcoLdpN7/P2Go1hWYDeQCIbYnoQ8OBfP3n1dFeIFTaVSVRdIDTHiPXSEs91hNmPNzsSSkd5w8X1ebrPTj052u7MoK2nnFpcClBkh+yLIHgXlzVXOcIAxCaIOQER+EKlDY1g1W8dx7/JGp4bpgrg+8HLG+g6SBEuITkwSLSFaQHFYyT/9P0oy1zQ8kAX8AmqbF8Fzb8Nv3ETZhLcTUhsMGLr3wNC94dovxWbDmp+LNTurpgxFDtb8fGyF+djy85udhmwJhxoKYyC3N+T2gcrg5s8Nyvege1EUvRiIV3Rf9gwz8Z75AGmWXH5bxiFCF8LMwLGM8b1YEiwh3IAkWkKchaUqm5yjCzCXn65rtAK7gCPgOeBiut39gGxh4oZUWi36sAj0YU2/mWevrMReUlxTJb8EW0lJ9R6QpiocJpPzC5sNRXFQ6WEm11hOdmg5OWHl2HTNj5YFqcLp43Mp/YLG4987lEJbGT+V7GJdyXrKyhoneH0MUcwIHMNw7zhZgyWEG5FES4gzKMvdRu7JD1Dq18UqADaCqspAyJ2z8ZswWd7u6qI0Xl5ovLwgvOlEzGyvINN0lNTKQ6RWHqTImnnG/kINvejlM5Le3iMJ0IfjUBQSqk6zLv9Ldlccxd7EBpdDvHpzXeBY+nnEyH9nQrghSbSEaIKi2Ck4/RnFGasbHkgEfgVDbB/CHngYXTfZJ+5CYrKXk2k6SkbVEdKrEsk3J6M0V5ke0Kh0RHsOJNZ7KD28huGrqx71LLVXsrpoOz+V7ibb2nirIoNKxzjfwUwJGEWkXkZKhXBnkmgJ8Rt2aznZR9+hqvhgXaMZ2AIkg//kqYTcMrtDN3YWrudQHBRZMsgyHSfbdIIs0/GzjlgB+OtCifG8mO7eQ4n2HIBOXV3536442FtxnE2l+9lTcazJ0atgrR9X+49kot8wfDSe7f5MQojzT35TCFGPpSKdrMR/YDVl1zUWAOtAZfMg9HcP4jPyUpfFJzqGQ3FQbM0iz3yaHFMSueZT5JqTsSlnL1bqofYl0vMiYrwGEeN1Mf66UOcxRVFIMeewpewgW8oOUmRv/PagChji1Ycr/Ycz1KsPalngLkSXIomWEDUqCveSffQdFLuprvEU8AvoQ6MIe+QJ9M2s1RHuQVEUquwlFFjSKbSkk2dJId+cQoElDbvSuBJ7Uzw1/kR69CPS8yIiPfsTrI9C9ZvkKNdaxNayw2wtP0S6Ja/JfgI0PlzhO5hJ/sPpppN6a0J0VZJoCQGUZK0j7+QiqL/eZjdwALyHjiD0gUe67ObPXZFdsVFqzaXImkWxJYsiayZFlgwKLRmYHI1HlZqjQk2wPppwj76Ee/YlzKMP/trQJhelZ1sK2VmRyK/lR0kyZzTZnwY1w73jGO83hMFevaU8gxAXAEm0xAVNURQKUz6nKG1VXaMF2AykQsDU6QTfdKvUxupkFEXB7Kig1JZHmTWPEmsuJdac6i9bDmXWfBy0buNoFSoCdBGEevSkm6EnoYZehBi6o1Mbmo0h2ZzNnspj/Fp+lFRLTrN99zZEMsb3Ysb4XoyfxqvZ84QQXY8kWuKCpThs5J54n7LcX+oaK4AfgRINxrvuwf+Kia4K74JmU6xU2IootxVQbiugrPbLmk+5LZ9SWx4WR9P7AraEp8aPIF0kwYYYjIbuhOi7E6yPRqvWn/E6s8PK4apT7K04zt6KExTZy5o9N0IXwljfixntM5AwfdA5xyqEcG+SaIkLksNWRdaRN6kqPlTXWASsBbXiTdj8x/HqP9Bl8XVViqJgcpRTYSuk3FZEhb2o7mdbEeX2QspthVTZS9p8LxUqfLVGAvXhBOoiCNCHE6yPJlAfiZemZZt8OxSFZHMWh6pOcbAyiWNVadjOMFIWpTcyyvsiRvr0J0bfTepeCSEk0RIXHru1nMyEVzGXJdU1ZgLrQeMdRMSTz2KIjHZZfO7K6jBR7kygCqmoTZ5shTUJVRHltiIc2NrtnlqVHl+tET+dEX9daKMvraqJ3ZrPwKEopFlySKxKIbEqmaNVKZSdYeRMBfT2iGK4V19G+lxEhNS8EkL8hiRa4oJisxSTefivWCpS6xqTgJ9B1y2ciCefQxdidFl8nZVNsVJuLaDMluecxqs/rVduK8TiOPd9AZvjpfHHRxuMrza45nsIPtpg/HRG/LRGPDV+bRo1MjksJJkyOWFK47gpnWOmVCocpjNe46k2MNirF8O8+jLEuzd+Gu9zvr8QouuTREtcMKzmfDIP/R/Wqqy6xkRgOxh69CTi8WfQ+LVsSqmrURQH5bZCiq05lNpyKLXmUWKt/l5qy6PSXtyu99OodHhrAvHRBuKtDcJHG4S3JggfbSA+tZ+1QWhU7fdHlE2xk2bJ5ZQpk1PmTJLMmaSac3CcobI7gBoVvT2iGOTVk4s9e9HbI1LeFhRCtJgkWuKCYKnKJvPQK9jM+XWNB4Dd1ZtChz/yBGrPrl+J2+yodJY5KLJkUGTNptiaRYk1p8V1pM5EhQovTYAzUfLWBuKjCcRbG1jzc3WbQe3doeuXyuyVpJpzSLHkkGrOIdWSQ6o594zrq+o/Qw9DOP09u3ORZywXecTgpZHSHkKIcyOJlujyLFVZZBx8CbulqK6xXo2ssN89hkrXurU8nZ1NsVJkyXQW48y3pFJgTqPC3nhfvZZSocJbG4ivNqRmCi8In5opvdpRKC+NP2qVph2fpHkORaHQVkqWtYBMSz4Z1jwyLPmkW/IosVe0uB8PlZ4+HlHOrzjPGLyaKekghBCtJYmW6NKsVdlkHHy5YZK1HUgE7xGjCHtwntvvWWhTrBSYU2u2jTlNrvkUBea0VteRguo1Uf66UPx03fDXdsNP1w0/rRFfnRGfdp7KawmLw0aerZhcaxF5tmJyrEXkWovIthaSbS3EqrRuYb0WDTGGUHoawulpiKCXRyTReqNseyOE6DDu/RtGiDOwVuWQcehl7JZ6ozhbgGPgc+kYQu/7HSrN+Rl9aU/ltsIGGx3nmk636k0+ncpAoD6SIH0kgboI/HVhBOjDCNCFoVefv+lTq2KjyFZGoa2MQlsphbZSCmq+8m0lFNhKWjUy9Vs+ak+6G0KJ0YfS3RBKd30Y0YZuaM/TiJsQQoCbJlp5eXls3bqVw4cPc+jQIY4cOYLZbGbkyJF88skn59xvUVERH330ERs3biQ9PR2r1UpQUBBDhw7ljjvuYMSIEe34FKIjWU25ZBx6GZu5oK6xJsnyHXsF3e5+wG2qvZdZ80mvSiSjKpEM0xFKrM1XIK9PjYYgfRTBhmhnQc5gfRQ+2uAOWx/lUByU2asosZdTYq+o/m6roNheXv1lK6fIXkaxrZzyNhQcrS9Q40OYLpgovZFIfQiReiOReiOBGh+pYyWEcDm3TLRWr17Nq6++2q59Jicnc/vtt5OXl4darSYyMhIfHx9SU1NZs2YNa9eu5ZlnnmHu3Lntel/R/qzmfDIOvtxw4fs24Bj4jZuIce69nTrJMjsqSa9MILXyIKlVB1uUWGlUOkL0MXQz9KSbRw+6GXoSpI9ql6k+s8PqTJxK7RWU2Crqfv7N91J7JcpZ3uJrLTUqQrT+GHWBhOoCMGoDCdMFEaYPIkwXhKespxJCdGJumWj5+PgwevRoLr74Yi6++GISExN5991329Tnn//8Z/Ly8oiNjeVf//oXvXv3BsBsNvP222/z4Ycf8vrrrzN+/HhiY2Pb4SlER7BZSsg89H/YzHl1jduAI9UjWZ0xyVIUhSJrJqcqdpNcsY9s04mzrq/y1YYQ7lG9yXGYRx+MhthWJVUOxUGJvYIiWxlF9nKKbWXOEafieqNRxbZyzO3wNuKZ+Gu8CdL6EaTxJVDrS4jWnxCdP8Faf0K0/gRqfWW6Twjhttwy0brxxhu58cYbnZ9zclo2ldKc8vJydu7cCcAf/vAHZ5IFYDAYeOqpp1i/fj0pKSls2bJFEq1Oym6rIPPwqw3rZO2gOsm6bGynmi50KA4yTUc5Vb6b05V7zjpq5a8LI9LzIqI8+xPpcRG+uuYrkCuKQqm90rnOKd9WQp61mAJbKUW2MgrspRTbys5aP6otdCoN/hof/DU+BGh98Nd446/xJlDrS4DGp8F3SaKEEF2ZWyZa7c1isaAo1b90YmJiGh1XqVRER0eTkpKCzdZ+24eI9uOwm8hK+DuWiuS6xt1AAviMGk23ex9yeZJVm1ydLN/ByfKdVJ5hPz8PtQ/RXhfT3Wsw0Z4DGyVW9UsbZFkLyLYUkmurfiMvx1rUIaNQPmpP/DXe+Gm88df64K/xqv65tk1TnVD5ab3xVOllfZQQQiCJFgBBQUGEhYWRnZ3Nvn376Nu3b4PjlZWVHD16FICLL77YFSGKM1AcVrIS38RUeqyu8SDVdbJGjCT0/odd9nahoijkWZI5Wvozx8u3n7HCutHQg57ew4n1GorR0AO1So1DcZBrLeZY+VHSLLmkWfJIt+SRbS3A0srSBk3xVOkJqDe65K/xJkDrQ0DNaJS/tjqB8tN4yciTEEKcA0m0asyfP5+nnnqKv//976jVasaPH4+Pjw8nTpzgjTfeID8/nxkzZjB8+HBXhyrqURQH2cf+SVXxwbrGY8Au8Bo0lLAHH3VJklVuK+RY2VaOlv1MgSWtyXPUaIjyGkgv7xHEeg/DUxNAqjmHBHM2yWU/cNqcTao555xHpzxUekJ0/hi1AQRr/QjW+hOs9ateD6X1JUjrh4da35bHFEIIcRaSaNWYMWMGvr6+/Pvf/+aPf/xjg2NGo5G//OUvzJo1q0V9LVu2jC+++KJF5yYlJbU6VlFNURTyk5ZQkb+zrvEUsBU84i4i7JHHz2sxUofiIKVyH4dLNpBcubfJt+9qk6s+PpcSYIgjxVLIXlM6X5StItmchVVpXZHRQI0P4foQwnRBhOoCCdUFYtRWf/dWe8j0nRBCuJgkWvWkpKRQUFCAWq0mPDzcWd4hLy+PlStXMnz48EbTik3Jy8sjISHhPER8YStO/4aSrLV1DWnAZjDE9iLi90+h1p+f0ZpyWyEJpRtIKN1Aua3pLW7CDH3p5nUJJk0wSeYc1hUeIN/2c4v6VwFGbSDReiNReiNRhm5E6kII1wdLaQMhhOjkJNGq8eKLL/LZZ59x8cUX89///pcePXoAYDKZeOedd1i0aBG33nor33zzDZGRkWfsy2g0MmDAgBbdNykpCZPJ1Ob4LzSlOT9TkLy0riEP2AD6iGgi5j9zXjaIzjKd4EDxD5ws39lkOQYPTTcMHoMowYdNpkwKi/aetc/aLWJiDWHEGsLoYQgnWt9NpviEEMJNSaIFHD16lKVLl6LT6ViwYEGDRMrDw4OnnnqKxMREtm/fzvvvv89LL710xv5mzZrV4mnG+Ph4Gf1qpYqiA+SeeL+uoQT4EXRBoUQ8+RwaH98Ou7dDsXOyfCf7ir8nx3yywTEFqMILh64PhXiRYS1Gqcg4Y3/dtIE1mxlH0tsjiu6GUHTneT9BIYQQHUf+RAf27NmDoih079692dGqMWPGsH37dg4fPnyeoxP1mcpPk534JtSuZaoC1oLGEEDEH55HGxDYIfe1OSwklG5kX/F3lNrqiqEqQAnelKmMFKn8KHdYwWoBLE32E63vxkWeMfTz6E4/z+4EaTsuKRRCCOF6kmgBFRUt37jWYmn6F6joeFZzPlkJf0dxmGsagB9BbfMi4rln0Rm7tfs9zfYKDpb8yP6SH6iylwLVyVUpXuTjRxEBWFBVNzbxdmCgxpdBXr0Y5NWTgZ498dd6t3uMQgghOi9JtMC5HislJYWMjIwmR7W2bt3a4FxxfjlslWQd/jt2S1FNA7AeVCU6wp/8A4bo7u16P7O9kv0l37Ov+HssjkoAKjCQiz/5+GNt5n8dFdDHI5rh3n0Z5tWXKL1R3vwTQogL2AWVaN16663k5ORw5513NtgcesyYMQQHB1NQUMBjjz3G66+/3mgx/Pbt2wG47rrrXBH6BU1R7GQfXYClMrWucRuQpSZs3u/xjLuo3e5lcVRxoHgNe4u/w+yowIqGfALJJYAKPJq8RouGwV69uMTnIoZ69ZFRKyGEEE5umWhlZWUxc+ZM5+fa6by9e/cyatQoZ/u9997Lfffd5/yck5NDRkYGZWVlDfrz8vLiH//4Bw8//DCHDh3immuuISIiAm9vb1JTU6mqqgJg9uzZXHnllR34ZOK3FEUh7+RHVBYdqGs8AByDbvfcj/fQ9ikga3NYOFjyI7uLVlHlKKcMT7KJoABfFBpv3aNBzSCvXlzmM4Dh3nF4a5pOwoQQQlzY3DLRstvtFBcXN2q32WwN2ltTNmH06NF88803LF68mG3btpGZmUlOTg4BAQGMHj2am2++mfHjx7c9eNEqxRmrKc1eV9dwGtgNQTfOwu/y8W3uX1EcHCvfyvaCzym2FZCHP9n0oLKZ0atehkiu8BvMaJ+B+Gg6voSEEEII9+aWiVZUVBTHjh07+4m/sWHDhjMej46O5oUXXjjXsEQ7qyjYTcHp/9U15AKbwX/iVQROa/sUbmrlQbbkf0amJY1sgsimN7Ym/pcI0PgwzncwV/gNJlJvbPN9hRBCXDjcMtESXZ+5IpXsY/+E2m1syoCfwHvIJYTcPrdNC8yLLdn8kv8JCZWHyCSYPHo3OT04wDOWyf4jGOHdTzZUFkIIcU4k0RKdjs1SUl3GwV4z9WsBfgSP6DhCH5iHSt04KWoJi6OKXYUr+KV4HWkEUUCvRucYVDom+A1lsv8IGb0SQgjRZpJoiU5FcVjJPvImNnN+dYMD2Ag6zwjCH/vDOe1fqCgKx8q38H3e55x0eFBIbKNzAjW+TAkYySS/4bL2SgghRLuRREt0GoqikHviA0yl9dbf7QJNqT8RLzyDxsen1X0WWTL5Oue//GoupZDGI1RROiMzAscw2negTA8KIYRod5JoiU6jOOM7ynJ/rms4BhzXE/7c062u+m5zWNhYsJxvS3aTix/QcKubaL2RG4PGc4n3RailoKgQQogOIomW6BQqig5QcPqzuoZsYDuEz3sMj9iererrZMUBFuUsI9mhR8G/wbEYfQg3B01imHecJFhCCCE6nCRawuUsVVnkHFlAgzcM14Nx9t14D2l5QVKTvYIPsxexrSoP22/qYIVovLk9ZCqjfPrLljhCCCHOG0m0hEs5bJVkJfwDh716P0GswDoImDgd/4lXtbifTUUb+F/BBsrQUf8/ay+VhluCJ3Gl/yg0qnN7W1EIIYQ4V5JoCZdRFAfZx/6FtSqjrvFn8Ol1KcE33tqiPnIteSzI/JAkmwnQOds1KFztN4RbQqZhUOua70AIIYToQJJoCZcpTFlOZeGeuob9YFD3ptt9vztrrSyHorCi4HtWFf+K7TfFRvvp/Xk4/E6MuqAOiFoIIYRoOUm0hEuU5/9KUdqKuoYU0KSEEP6ns9fKOm3KZEHWJ2TbTVAvyQpQObjbeC0j/S7poKiFEEKI1pFES5x3lop0co79q66hGFQ7PYl85hm0fv7NXmdT7HyWt5ofSveiULegXYOdcV6R3B12Fzp16wuaCiGEEB1FEi1xXtltlWQlvI7iMFc3WIANasIffAJ9ZFSz1yWbsngr+3/k2CqgXpIVprLwYNgt9PMe1LGBCyGEEOdAEi1x3iiKg5yjC7Gac+oaN4Fx5r14Dbi4yWtsip0VhRtZWbS1tvgDAAYsTPQM57bwe9GpPZq8VgghhHA1SbTEeVOY+hWVRfvqGvZCwIBp+F8xscnzMy35vJW1lDRrYYP2SMq5N/QGLvK9tCPDFUIIIdpMEi1xXlQU7KYo9au6hhTwVIYRfPPsRucqisKG0r0szvseKw5nux4ro3Q67ox8Bl9t8PkIWwghhGgTSbREh7NUZpJ9ZGFdQzHokqIIf/rRRmUcyu1VvJezit2Vxxu0h1LMDYGXMTboRtRSeFQIIYSbkERLdCiH3UTWob+jKHWL39U7fIh44hnUHg3XVh2pSmFB9hcU11aJB7TYGKAu487wB4j0vOh8hi6EEEK0mSRaosMoikLOkX9htWTXNW7VEHH30+iCQ5xNDkXhu+JtLCtYj6Peknd/Krjcw5vrw/6CtzbgPEYuhBBCtA9JtESHKU7/joqiXXUNByD0qt/h0auPs6ncXsW7OSvZW3nC2aZCIYZcZgSM5bLgW1CrNOczbCGEEKLdSKIlOkRlcQIFpz+rK3mVAQHh1+F76RjnOadMmbyZ/Tn5tlJnmx4rF6sKuCHsXnp6Dz/PUQshhBDtSxIt0e5s5kKyDv0DVDXTgOXgVTiE4AdvcZ6zuXQ/H+R+hw27sy2AckbqFOLD/0yAPux8hy2EEEK0O0m0RLtSHDYy9v0VharqBhtoD4cRNu/3qNRq7IqDT/N/5IeSnfWvIoY8xnn14Kqwh9GrPV0SuxBCCNHeJNES7So38T9YrenOz6p9nkTe/UfUHh6U2StZkL2cw1Wnnce12Igjg6uDpnFJ4PWopHSDEEKILkQSLdFuSjI2UFb0c13DcRUR059BFxxCmjmXv2ctJc9W7DzsjYmB5DEj7Hf08hlx/gMWQgghOpgkWqJdmMqTyTv5X6gdkMoDY5+78ewTx4GKk7yV/SUmxeI8P5gShmoszIx4gRBDd9cELYQQQnQwSbREm9ltFWTufgU0NdvlmMDXOh7/cZNZV7KbD/+/vbuPi6rO+z/+Gm4FQW42vEVEsQEx72rDarcybB9pGaterlhthmmUXvrT9bK20vXavDax3W6tbXMrb3L14d1mN2trXmnWptJemnmLGniDKCDegIICA3N+fyCTCip3h5lh3s/Hg8eDOefw5XM+zJzz5syZcwo+u+T6WFXnY93iF86QjjN1fSwREWnRFLSkUQzDzvF/z8buXXxxAvgdiuaGx8ex+OQ61hRucSzrhR0rx7gtqDf3tn0KHy8/J1UtIiLSPBS0pFFO7vmAssosx2Ov/UFEPPxbXi/4O/9Xss8x3RcbPcghMewB+oePwGKx1DaciIhIi6KgJQ127vi3FJ1ee8lFSb0IGfwscwpXs7/0qGO5QErpyXEGtx1DfJsBTqlVRETEGRS0pEHKS/LI3zcXfC9OOAu+cWOZXbmOY7YCx3KhFNOTUyR1nEqXwD7OKVZERMRJFLSk3uz2co6l/zf4XbyqewWc97+HeaE7OWX78XY6bSmkl1cpQzv9NxH6ZKGIiHggBS2pt+Ob5lDpV+R4nHu2O4t6FVJcUeqYFslJevv4MazT/xDse4MzyhQREXE6BS2pl1O7VlLKXsfjg0U/4W83BVBurw5ZBl3Jp5//DTzY8RkCvIOdU6iIiIgLcMugVVBQwKZNm9i9eze7du0iIyODsrIyEhISWLx4caPH/+qrr1i5ciXff/89hYWFhISE0LlzZ/r378+kSZPw8XHLtjVaSe5Ozpz6O3hXPd5XHsyyuPZUGBUAWLBzI8f5aWB3BrefjK9XKydWKyIi4nxumRjWrFlDWlpak49bUVHBc889xyeffAJAhw4diIuLo7CwkN27d7N9+3ZSU1M9MmhVXCgkb/ef4GJ22uUdzMqoztipukipF3biOMptwT9lYNtUvC2e1yMREZErueXeMCgoiDvuuINevXrRq1cv9u7dy9tvv93ocX//+9/zySef0KtXL2bNmkV8fLxj3oULF9i8eTN+fp53kU3DsHP06+kYgTYAtrYK4ePQjhiWqqu9e1NJD45yV8g93HnDr3VjaBERkYvcMmiNGDGCESNGOB7n5+c3esz09HRWrlxJp06dWLhwIUFBQZfNDwgIYODAgY3+Pe4o9+uXqQw8BcC3gWF8GtLeMc+HCuI5ysDwB0kIG64LkYqIiFzCLYOWGRYsWADA448/XiNkebIzuz7lvNd3AKQHhvGPS0KWHzbiyea+G0bRL/R+Z5UoIiLishS0gLKyMjZt2gTA7bffTmZmJsuXLycrKws/Pz969OjBiBEj6NSpk5MrbV4X8vZz6sRS8IMtgWGsuSJk3UQ2D7QdQ8829zixShEREdeloAXs27cPm63q/KNt27Yxa9Ysx2OAL7/8kvfee4+0tDSGDBnirDKbVWVpMce3vwhBRq0hqzdHSWo3Hmvw7U6sUkRExLUpaFF1uYhq1SfBz5gxg7i4OHJzc3nttdf45z//ybPPPku3bt0uO0m+NsuWLWPFihV1+t1ZWVnXX6iZ2e12jq5/HqNNOZsDw/jskpDlTzm9yGF4h0l0a/1TJ1YpIiLi+hS0gJKSEsf3rVq14t133yUkJASALl268Oqrr3L48GEyMjJ45513mDt37jXHKygoYM+ePabWbKb8r96gos0J/h0YWiNk9eY4/9FhCtGt+zmxQhEREfegoAX4+/s7vh82bJgjZFXz8vIiJSWF3/72t3zzzTfY7Xa8vK5+CYOIiAh69uxZp9+dlZVFaWnp9RdsJoW71lLi9S3fBYTwSUgHx3R/yulDLiM6/oaowN5OrFBERMR9KGjBZcEqJiam1mW6desGVB39KiwsJDw8/KrjjRo1ilGjRtXpdw8fPtxljn5dyMvkZN4idoa2YfUlIcsPG33IY2TH/yIysG4BUkREREBXluTHEAXg6+tb6zKXHvWy2+2m19TcKktLOP5//8PekNasDO2IcfF6WL5U0Ic8kjtNU8gSERGpJwUtoF27do5LNxw9erTWZaqn+/v7Exoa2lylNQvDMMhZN4MDbX1YFhbpCFk+VNCbXEZ1+i86BfRwcpUiIiLuR0HrosGDBwPw6aefUlFRUWP+qlWrALj11ltb3L0O8ze8QVbbQpaER2K/GLK8qaQ3eTzUaapCloiISAN5VNB66KGHSExMZOHChTXmjR07luDgYHJycpg1axZlZWVA1dGeDz74gC+//BKLxUJqamozV22uwh1ryfTfzqLwzlRcvEehF5X0IpeHO04hMuDal7IQERGRq3PLQzO5ubkMHTrU8bi8vByA7777jv79+zumjxs3jieeeMLxOD8/n2PHjnHu3LkaY4aHhzN37lzGjx/P8uXL+eyzz4iOjiYvL4+CggIsFgtPP/30ZeO7u9LcTA6cXMqCyC6UeXkDYMFOPHk80nGyzskSERFpJLcMWpWVlRQWFtaYXlFRcdn0+l424Y477uDjjz9m3rx5bN68mX379hEUFERiYiJjxowhISGhkZW7jsoLxWRsn838mM6UeFc/DQxiyePRjv9J58CbnFqfiIhIS+CWQSsyMpL9+/fX++c2bNhw3WWio6NJS0trSFluwzAMDvzvDObf2I5Cbz/H9O7kM7pDKl0C+zixOhERkZbDo87Rkio5615hQXc/CnxbOaZFc4LH2j9Gt9a3OLEyERGRlkVBy8Oc2vYJCzrmku3X2jGtE6dIafcQNwbd5sTKREREWh4FLQ9Skr2HDyzr2RvQxjEtgkJSbkgiLvjnTqxMRESkZVLQ8hAVJYUsy/kL37b58dZBoRQzOjyRXqH3OrEyERGRlktBywPYKyv5+N8v8L9tIxzTWnOBh0Nv5tbwB51YmYiISMumoOUBvv76D/w98se3C/0pZ0Twjdz5k7rd+FpEREQaRkGrhdv17QLej6zEfvGq7z5UMCSwHYPajsFy8XY7IiIiYg4FrRYs54eveCMsE5vlx6u+J/r48x8d/hOLRX96ERERs2lv20KdO3mElyr+SbHXjxckTaCM0VHP4HUxeImIiIi5FLRaILvdTlruWxT4BjimxdnPMqHbTHwuCV4iIiJiLgWtFmhH1iccDAhyPI6sLOLprjPw9wp0YlUiIiKeR0GrBQoPj8aHCgB+Yi/muS7TaO0b5uSqREREPI9b3lRarq3LT/ry/ypz+KF4L/d3foow/3bOLklERMQjKWi1UAlth5DQdoizyxAREfFoeutQRERExCQKWiIiIiImUdASERERMYmCloiIiIhJFLRERERETKKgJSIiImISBS0RERERkyhoiYiIiJhEQUtERETEJApaIiIiIiZR0BIRERExiYKWiIiIiEkUtERERERM4uPsAjxdTk4OAFlZWQwfPtzJ1YiIiEhdZGVlAT/ux69GQcvJysrKACgtLWXPnj1OrkZERETqo3o/fjUKWk4WHh7O6dOn8ff3JzIyssHjZGVlUVpaSqtWrYiJiWnCCuVK6nXzUa+bj3rdfNTr5mNmr3NycigrKyM8PPyay1kMwzCa9DeLUwwfPpw9e/bQs2dPPvzwQ2eX06Kp181HvW4+6nXzUa+bjyv0WifDi4iIiJhEQUtERETEJApaIiIiIiZR0BIRERExiYKWiIiIiEkUtERERERMoqAlIiIiYhIFLRERERGTKGiJiIiImERBS0RERMQkutdhCzFy5EgKCgqIiIhwdiktnnrdfNTr5qNeNx/1uvm4Qq91r0MRERERk+itQxERERGTKGiJiIiImERBS0RERMQkOhneBaWnp7NgwQJ27NjB+fPn6dixI4MGDSI1NZXAwMAGjfn555/zt7/9jX379mGz2ejSpQtJSUmMHj0aX1/fJl4D99FUva6srCQ9PZ2NGzeyfft2Dh8+TGlpKaGhofTq1Yvk5GQGDBhg3oq4ATOe15dasmQJs2bNAiAhIYHFixc3ekx3ZUavDcNgzZo1rF69moyMDM6ePUtoaCgxMTHcddddjB07tonXwj00da+PHz/O/Pnz+eabb8jNzcVutxMREUH//v1JSUkhNjbWhLVwfQUFBWzatIndu3eza9cuMjIyKCsra5LXutnbJp0M72IWL17Miy++iGEYtG/fnvDwcDIzMykvLycmJoalS5cSGhparzFfeukl5s+fD0BUVBQBAQFkZmZSWVnJrbfeyvz58/Hz8zNhbVxbU/Z65cqVzJgxAwAvLy+ioqJo3bo1R44cobi4GIDk5GReeOEFLBaLWavkssx4Xl8qPz+f+++/39FrTw5aZvS6pKSEiRMnsnnzZgA6d+5MaGgop06dIj8/n+DgYL799lsT1sa1NXWvt2/fztixYykpKcHX15fIyEh8fX3Jzs6mtLQUHx8fXn75ZQYPHmzeSrmohQsXkpaWVmN6Y1/rZm+bADDEZezatcuIi4szYmNjjWXLlhl2u90wDMPIy8szhg0bZlitVmPixIn1GnPdunWG1Wo1brrpJuOLL75wTM/MzDQSExMNq9VqpKWlNel6uIOm7vWKFSuMBx980FixYoVx9uxZx3SbzWa89957RmxsrGG1Wo0lS5Y0+bq4OjOe11d66qmnjB49ehhPPvmkYbVajV//+tdNUbrbMaPXdrvdGDNmjGG1Wo2xY8caR44cuWx+UVHRZdsWT9HUvbbb7cYvfvELw2q1GsnJycaxY8cc886ePWtMnTrVsFqtxs0333zZNsZTrFy50khJSTFeeeUVY926dcbrr7/e6Nd6c2ybDMMwFLRcyPjx4w2r1Wo888wzNeYdOnTIiIuLM6xWq5GRkVHnMZOSkgyr1Wq88cYbNeZt3rzZEcJOnTrVqNrdTVP3+syZM44XaW1mzJhhWK1WIykpqcE1uysznteXWrNmjWG1Wo0//OEPxty5cz06aJnR61WrVhlWq9X41a9+ZdhstqYs1601da8PHDhgWK3Wq/5MWVmZ0bdvX8NqtRobNmxodP3ubvHixY1+rZu9baqmk+FdRElJCf/617+AqgusXSk6OprbbrsNgLVr19ZpzMOHD7Nv3z6g6m2rK91+++106dKF8vJy1q9f39DS3Y4ZvQ4NDb3mW4J33XUXAIcOHapvuW7NjF5fqqioiBdffJH27dszZcqURtXq7szq9cKFCwEYP348Pj46rRfM6XVpaanj+86dO9eY7+fnR7t27QCoqKiod81yObO3TZdS0HIRGRkZlJeX4+fnR+/evWtd5pZbbgFgx44ddRrz+++/B6petNUv0MaO2RKY0evrqd6IBgQENMl47sLsXs+ZM4eTJ0/yu9/9jtatWzeqVndnRq+zs7M5cOAAXl5e9O/fnx07djBz5kxSUlKYMGECf/3rXzl9+nSTrYO7MKPXXbt2pVWrVkDVuVpXOnHiBDk5OXh7exMfH9/AyqVac+4HFLRcRPWRjo4dO171U4BRUVGXLXs9hw8fvuznmmLMlsCMXl/PmjVrgB9fuJ7CzF5v2bKFDz/8kMTERO69997GFdoCmNHr3bt3A1VHbJcsWUJycjLLly9ny5YtrF+/nldeeYX77ruP9PT0JlgD92FGr4OCgpgwYQIAzz33HGvXruXMmTMUFxeTnp5OamoqNpuN1NRUOnXq1ARr4dmacz+g48AuoqioCICQkJCrLlM9r3rZphzz7NmzdRqzJTCj19fyxRdf8OWXX2KxWBg3blyjx3MnZvW6tLSUmTNnEhgYyMyZMxtXZAthRq9PnDgBVG0fXn75ZQYMGMDTTz9NVFQUhw4dYvbs2aSnpzNp0iQ+/fRT2rdv38i1cA9mPa+ffPJJIiIieP/995k8efJl86Kjo3nttde4//77G1CxXKk59wM6ouUiysrKAK55TavqSzBUL9uUY156fkBLZ0avryYrK4tnn30WgMcee4ybb765UeO5G7N6PXfuXLKzs5k8eTIdOnRoXJEthBm9Pn/+PFB1TlBUVBRvvfUW3bt3x8/Pj9jYWN555x0iIiI4e/YsixYtauQauA+zntc2m42jR49SVFSEj48P0dHR3Hjjjfj5+XHkyBFWrVpFXl5e44oXoHn3AwpaLsLf3x+oeqFdTXl5+WXLNuWY1ecGeAIzel2b3Nxcxo0bx7lz57j77ruZNm1ag8dyV2b0eu/evSxatIj4+HgeffTRxhfZQpi5DQF45JFHauyUAgICGDVqFIDjxGJPYNY2ZOLEibz99tv06NGDDRs28Pnnn/OPf/yDb775hgcffJBNmzaRnJzsuF6cNFxz7QdAQctl1OUQZV0OdV6qTZs2dR6zellPYEavr1RQUEBKSgrHjx8nISGBN9980yOvwG9Gr6dPn47dbmfWrFl4e3s3vsgWwsxtCEBMTEyty1RPz8nJqdOYLYEZvd6wYQMbN24kLCyMV1999bIPMIWEhDB79my6detGXl4eS5cubUT1As2zH6imc7RcRHR0NFB1+wWbzVbrTjk7O/uyZa+na9euABw5cuSqy9R3zJbAjF5f6tSpUzz22GMcPnyYfv368c477zT6PyJ3ZUav9+7di7e3N0899VSNedVvdW3fvp2f/exnAKxatcoj3l40o9fdunVzfH+1fxSqn9t2u70e1bo3M3q9detWAHr37k1wcHCN+b6+vvTv35+DBw86PqQgDWf2fuBSOqLlInr06IGvry/l5eXs3Lmz1mW2bdsGQN++fes0Zp8+fYCq/zTz8/ObZMyWwIxeVyssLGTMmDFkZWXRs2dP3n33XY++7IBZva6srOTkyZM1vqqDls1mc0yrrKxs9Hq4AzN6HR8f7zit4OjRo7UuU70z8pQT4cGcXpeUlNT59zf2nCExdz9wJQUtFxEUFMTPf/5zAFasWFFj/uHDhx0foR40aFCdxuzatStWqxWA5cuX15i/ZcsWjhw5gq+vLwMHDmxo6W7HjF4DFBcX8/jjj7N//36sVivvv/9+rf+ZehIzer1///6rfk2cOBGouv9Z9bTIyMgmWhvXZkavAwICuOeeewD46KOPasw3DIPVq1cDOC7u6AnM2l4D7Ny5k3PnztWYb7PZHPeTrF5WGs6s/UBtFLRcyIQJE7BYLHz88ccsX74c4+L9vk+cOMHUqVOx2+3ce++9xMXFXfZziYmJJCYm1nr12uodz7vvvsuGDRsc0w8ePOi4CfLDDz9MeHi4Wavlkpq61xcuXCA1NZU9e/bQrVs3Fi5cSFhYWLOtjysz43kttTNrG+Lj48PWrVv585//7DhCWFFRwZ/+9Cf27duHv78/KSkppq+fK2nqXg8aNAg/Pz/OnDnD1KlTL3sXoqioiOeff56DBw9isVhISkoyfwVbiIceeojExETHHQ4u1dC/YX1ZjOqRxSUsXLiQOXPmYBgGHTp0ICwszHEn8a5du7J06dIaoSg2NhaAtLQ0hg8fXmPM2bNnOz56HRUVRWBgID/88AOVlZXccsstLFiwwCPPIWrKXs+bN49XX30VqDqv5Vp3e587dy4RERFNv0IuzIzndW3efPNN3nrrLRISEli8eHGTr4c7MKPXq1evZvr06VRWVhIeHk5kZCTZ2dkUFhbi6+vLnDlzGDJkSLOsnytp6l5/9NFHTJ8+nYqKCnx8fIiMjMTX15cjR45QXl6OxWJh2rRpHnc9Pqj6FPfQoUMdj8vLyzl//jw+Pj4EBQU5po8bN44nnnjC8TgxMZFjx44xceJEJk2aVGPchvwN60snw7uYlJQUYmNjmT9/Pjt37uTUqVN07NiRQYMGkZqa2qDzfZ5//nn69evH0qVLycjI4MSJE8TExJCUlERKSopHfhoOmrbX1R8DhqqjhdfiiedXmPG8ltqZ0ethw4bRvXt33nvvPbZu3UpGRgahoaEMGTKEJ554otH/8burpu710KFDiYuLY9GiRWzdupXjx49jGAYRERH069ePRx55xOPuLlGtsrKSwsLCGtMrKioum17fa0I2x7ZJR7RERERETKJztERERERMoqAlIiIiYhIFLRERERGTKGiJiIiImERBS0RERMQkCloiIiIiJlHQEhERETGJgpaIiIiISRS0REREREyioCUiIiJiEgUtEREnysnJITEx0dlliIhJFLRERJrZmTNn2LFjR63zvvrqq2auRkTM5OPsAkREPM3x48d55pln6N+/P8nJyQBkZmbywgsv4O3tTd++fQkJCXFylSLSFCyGYRjOLkJExNPYbDZWrFjBggULyMvLIzY2lilTpnDnnXc6uzQRaUJ661BExAksFovj69LHItKyKGiJiDSzvXv3kpSUREZGBq+//jpt27YlLS2NefPmMWbMGIqKipxdoog0Eb11KCLSzM6cOUN2djZ9+vQhJyeH0aNHs2HDBgA2btzIgAEDnFugiDQZnQwvItLMwsLCCAsLq3WeQpZIy6IjWiIiIiIm0REtEZEGstlsLF26lNWrV5OdnU1paSlt2rQhISGB3/zmN3Tt2tXZJYqIk+mIlohIAxw6dIjJkyezf/9+AIKCgigvL6e8vByA4OBgVq5cqbAl4uH0qUMRkXo6ePAgo0aNYv/+/dx3332sXbuWbdu2sX37dl566SV8fX05d+4cf/zjH51dqog4mYKWiEg92Gw2Jk+eTGFhIcnJycydO9dx1MrHx4ehQ4fy6KOPAvD1119TWlrqzHJFxMkUtERE6uHDDz/kwIEDdOrUiRkzZtS6zD333ANARUUFx44da87yRMTFKGiJiNTDsmXLABg9ejR+fn61LhMUFOT4XqfBing2BS0RkTrKz89n7969AAwcOPCqyxUUFDi+b9++vel1iYjrUtASEamj7777DoDQ0FA6d+581eV2794NQHR09GVHt0TE8yhoiYjU0Z49ewCIiIi45nLr168H4O677za9JhFxbQpaIiJ1VP22YXFx8VWXSU9PZ8+ePVgsFkaOHNlcpYmIi1LQEhGpo+ojWrm5uRw4cKDG/NOnTzs+iThs2DC6d+/erPWJiOtR0BIRqYNjx45RWFgIVF31fdq0aWRmZgJVl3HYuHEjycnJHD16lJiYGJ5//nknVisirkL3OhQRqYPqtw0jIiKYMmUK06dP54EHHqBNmzaUlpY6br3Ts2dP/vKXvxAcHOzMckXERShoiYjUQfUnCePj4xkxYgStW7dmwYIFZGZm4uPjQ3x8PL/85S8ZOXIkPj7atIpIFW0NRETqoPqIVo8ePQAYPHgwgwcPdmZJIuIGdI6WiEgdVAet+Ph4J1ciIu5EQUtE5Dry8/M5efIkoKAlIvWjoCUich3Vl3UIDg4mMjLSydWIiDtR0BIRuY5Lz8+yWCxOrkZE3InF0K3lRUREREyhI1oiIiIiJlHQEhERETGJgpaIiIiISRS0REREREyioCUiIiJiEgUtEREREZMoaImIiIiYREFLRERExCQKWiIiIiImUdASERERMYmCloiIiIhJFLRERERETKKgJSIiImKS/w9cq4eBrRfbCgAAAABJRU5ErkJggg==", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "def plot_heat_capcities(temp):\n", - " dimensionless_density = np.linspace(0.01, 1.0, 100)\n", - " cv_thol = []\n", - " cv_uv_b3 = []\n", - " cv_uv_wca = []\n", - " cv_uv_bh = []\n", - " for rho in dimensionless_density:\n", - " density = rho / (sigma * si.ANGSTROM)**3 / si.NAV\n", - " temperature = temp * eps_k_k\n", - " s_thol = feos.State(thol, density = density, temperature = temperature)\n", - " cv_thol.append(s_thol.molar_isochoric_heat_capacity(feos.Contributions.Residual) / si.RGAS + 3.0 / 2.0)\n", - " s_uv_b3 = feos.State(uvtheory_b3, density = density, temperature = temperature)\n", - " cv_uv_b3.append(s_uv_b3.molar_isochoric_heat_capacity(feos.Contributions.Residual) / si.RGAS + 3.0 / 2.0)\n", - " s_uv_wca = feos.State(uvtheory_wca, density = density, temperature = temperature)\n", - " cv_uv_wca.append(s_uv_wca.molar_isochoric_heat_capacity(feos.Contributions.Residual) / si.RGAS + 3.0 / 2.0)\n", - " s_uv_bh = feos.State(uvtheory_bh, density = density, temperature = temperature)\n", - " cv_uv_bh.append(s_uv_bh.molar_isochoric_heat_capacity(feos.Contributions.Residual) / si.RGAS + 3.0 / 2.0)\n", - " \n", - " \n", - " plt.plot(dimensionless_density, cv_thol, '-', label='Thol')\n", - " plt.plot(dimensionless_density, cv_uv_b3, '-', label='uv-$B_3$')\n", - " plt.plot(dimensionless_density, cv_uv_wca, '-', label='uv-WCA')\n", - " plt.plot(dimensionless_density, cv_uv_bh, '-', label='uv-BH')\n", - " \n", - " plt.xlabel('$\\\\rho^*$')\n", - " plt.ylabel('$C_v/Nk_B$')\n", - " plt.title('$T^*={}$'.format(temp))\n", - " plt.legend(frameon=False)\n", - " return\n", - "plot_heat_capcities(1.5)\n", - " " - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.13.5" - } - }, - "nbformat": 4, - "nbformat_minor": 4 -} diff --git a/examples/managing_threads.ipynb b/examples/managing_threads.ipynb deleted file mode 100644 index 0ae8a20fe..000000000 --- a/examples/managing_threads.ipynb +++ /dev/null @@ -1,314 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "b9685fcb", - "metadata": {}, - "source": [ - "# Controlling the Thread Pool in `feos`\n", - "\n", - "Several functions in `feos` use [Rayon](https://github.com/rayon-rs/rayon) for parallelism.\n", - "By default, Rayon uses all logical CPUs available on your machine, which is usually what you want when working on your local machine. \n", - "In other environments, for example HPC clusters, you may want to limit the number of threads to match your job allocation.\n", - "\n", - "There are three ways to configure this, in order of priority:\n", - "\n", - "- `FEOS_MAX_THREADS` environment variable: for HPC or \"script\" environments, defined before launching Python\n", - "- `feos.set_num_threads()`: for interactive use, at the top of a script or notebook\n", - "- Do nothing: local machines where using all cores is fine\n", - "\n", - "You can get the number of threads configured via `feos.get_num_threads()`.\n", - "\n", - "## Important\n", - "- The thread pool can only be configured **once** per Python process.\n", - "- Whichever method runs first wins. Any later attempt to change it will have no effect and a warning will be emitted.\n", - "- Calling `get_num_threads` without setting `FEOS_MAX_THREADS` or `set_num_threads` will initialze the thread pool with the default (all logical CPUs).\n", - "- To test the different behaviour in this notebook, restart the kernel and start from the respective cell you want to test." - ] - }, - { - "cell_type": "markdown", - "id": "34e0be01", - "metadata": {}, - "source": [ - "## Method 1: Environment variable (recommended for HPC)\n", - "\n", - "Set `FEOS_MAX_THREADS` **before** starting Python or launching your Jupyter kernel.\n", - "The thread pool is initialized automatically when `feos` is imported.\n", - "\n", - "In a Slurm job script:\n", - "\n", - "```bash\n", - "#!/bin/bash\n", - "#SBATCH --cpus-per-task=8\n", - "\n", - "export FEOS_MAX_THREADS=$SLURM_CPUS_PER_TASK\n", - "python my_script.py\n", - "```\n", - "\n", - "Or in a terminal before starting Jupyter:\n", - "\n", - "```bash\n", - "export FEOS_MAX_THREADS=4\n", - "jupyter lab\n", - "```\n", - "\n", - "You can verify it was picked up after importing:" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "3e161b43", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Active threads: 10\n" - ] - } - ], - "source": [ - "import feos\n", - "\n", - "# If FEOS_MAX_THREADS was set before starting Python, the pool\n", - "# was already configured at import time.\n", - "print(f\"Active threads: {feos.get_num_threads()}\")" - ] - }, - { - "cell_type": "markdown", - "id": "b60da8bf", - "metadata": {}, - "source": [ - "## Method 2: `set_num_threads()` (interactive use)\n", - "\n", - "If you did not set the environment variable, you can configure the thread pool\n", - "programmatically. This must be done **before any parallel computation is triggered**.\n", - "\n", - "In a notebook or script, call it immediately after importing `feos`: (if the code below emits a warning, restart the kernel and run the code below as first cell)" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "d5fce92f", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Active threads: 4\n" - ] - } - ], - "source": [ - "import feos\n", - "\n", - "feos.set_num_threads(4)\n", - "\n", - "print(f\"Active threads: {feos.get_num_threads()}\")" - ] - }, - { - "cell_type": "markdown", - "id": "b8a862cd", - "metadata": {}, - "source": [ - "You can also read the thread count from `SLURM_CPUS_PER_TASK` manually if you prefer\n", - "to keep configuration in Python rather than in your shell environment:" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "a8e08786", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Active threads: 4\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "/var/folders/3s/t93ws1md04qdbbq5d1jdz8640000gn/T/ipykernel_9962/4108200440.py:5: UserWarning: set_num_threads(10) without effect: The thread pool was already initialized with 4 thread(s) Call set_num_threads() before any parallel work or set FEOS_MAX_THREADS before starting Python.\n", - " feos.set_num_threads(n_threads)\n" - ] - } - ], - "source": [ - "import os\n", - "import feos\n", - "\n", - "n_threads = int(os.environ.get(\"SLURM_CPUS_PER_TASK\", os.cpu_count()))\n", - "feos.set_num_threads(n_threads)\n", - "\n", - "print(f\"Active threads: {feos.get_num_threads()}\")" - ] - }, - { - "cell_type": "markdown", - "id": "9c891bdc", - "metadata": {}, - "source": [ - "## Method 3: Do nothing (Rayon default)\n", - "\n", - "If you neither set `FEOS_MAX_THREADS` nor call `set_num_threads()`, Rayon will initialize the thread pool lazily the first time a parallel function is called, using all available logical CPUs. This is usually the right choice on a local workstation.\n", - "Note that calling `get_num_threads` will set the threads to the default." - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "61c0c96d", - "metadata": {}, - "outputs": [], - "source": [ - "import feos\n", - "\n", - "# No configuration — Rayon will use all logical CPUs.\n", - "# get_num_threads() triggers lazy initialization if not already done.\n", - "print(f\"Active threads: {feos.get_num_threads()}\")" - ] - }, - { - "cell_type": "markdown", - "id": "142bc70d", - "metadata": {}, - "source": [ - "## What happens if you call `set_num_threads()` too late?\n", - "\n", - "If the pool is already initialized — because `FEOS_MAX_THREADS` was set, or because\n", - "a parallel function (or `get_num_threads()`) has already run — `set_num_threads()`\n", - "has no effect and emits a warning:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "cba243c9", - "metadata": {}, - "outputs": [], - "source": [ - "import feos\n", - "\n", - "print(feos.get_num_threads()) # triggers lazy initialization\n", - "\n", - "feos.set_num_threads(2) # UserWarning: had no effect" - ] - }, - { - "cell_type": "markdown", - "id": "5ba53f01", - "metadata": {}, - "source": [ - "## Summary\n", - "\n", - "```\n", - " import feos\n", - " │\n", - " FEOS_MAX_THREADS set?\n", - " ┌──────┴───────┐\n", - " Yes No\n", - " │ │\n", - " Pool initialized set_num_threads() called?\n", - " with env var value ┌──────┴───────┐\n", - " Yes No\n", - " │ │\n", - " Pool initialized Pool initialized lazily\n", - " with given value on first parallel call\n", - " (all logical CPUs)\n", - "```" - ] - }, - { - "cell_type": "markdown", - "id": "fe867ce1-10f6-43b4-8382-b9f5bc9b387d", - "metadata": {}, - "source": [ - "## Example\n", - "\n", - "The following example calculates vapor pressures and derivatives w.r.t. the model's parameters in parallel.\n", - "Set the number of threads to check the impact on calculation time (restart kernel as before to change the threads)." - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "3ee76e3a-6727-45c4-8ca1-58f6c3b27231", - "metadata": {}, - "outputs": [], - "source": [ - "import feos\n", - "import numpy as np\n", - "import timeit\n", - "\n", - "# modify the number of threads and rerun the cell below to see impact\n", - "feos.set_num_threads(0) \n", - "\n", - "n = 1_000_000\n", - "fit_params = [\"m\", \"sigma\", \"epsilon_k\"]\n", - "\n", - "# order: m, sigma, epsilon_k, mu\n", - "parameters = np.array([[1.5, 3.4, 230.0, 2.3]] * n)\n", - "temperature = np.expand_dims(np.linspace(250.0, 400.0, n), 1)\n", - "eos = feos.EquationOfStateAD.PcSaftNonAssoc" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "4315f002-ce50-4e01-a2aa-49f28eebd84d", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Mean of 5 runs (1000000 VLEs each): 0.559s using 10 thread(s)\n" - ] - } - ], - "source": [ - "n_runs = 5\n", - "n_threads = feos.get_num_threads()\n", - "elapsed = np.mean(timeit.repeat(\n", - " lambda: feos.vapor_pressure_derivatives(eos, fit_params, parameters, temperature),\n", - " number=1,\n", - " repeat=n_runs\n", - "))\n", - "\n", - "print(f\"Mean of {n_runs} runs ({n} VLEs each): {elapsed:.3f}s using {n_threads} thread(s)\")" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.12.3" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/pc_saft_phase_diagram_to_dict.ipynb b/examples/pc_saft_phase_diagram_to_dict.ipynb deleted file mode 100644 index 0232490fd..000000000 --- a/examples/pc_saft_phase_diagram_to_dict.ipynb +++ /dev/null @@ -1,715 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "fa749966-5842-432a-8760-5d98ac6b0671", - "metadata": {}, - "source": [ - "# The `to_dict` method for `PhaseDiagram` and `StateVec` objects\n", - "\n", - "The `to_dict` method returns a Python dictionary containing a selection of properties.\n", - "It can be used to conveniently create a `pandas.DataFrame` (to then store or plot data)." - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "8e96c4be-b089-41ec-9b8d-1cc30f324f36", - "metadata": {}, - "outputs": [], - "source": [ - "import feos\n", - "import numpy as np\n", - "import pandas as pd\n", - "import matplotlib.pyplot as plt\n", - "import seaborn as sns\n", - "import si_units as si\n", - "\n", - "sns.set_context('poster')\n", - "sns.set_palette('Dark2')\n", - "sns.set_style('ticks')\n", - "colors = sns.palettes.color_palette('Dark2', 8)" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "844b71b0-8cc4-4c7a-a217-d850407652c8", - "metadata": {}, - "outputs": [], - "source": [ - "pc_saft_parameters = feos.Parameters.from_json(substances = ['water'], pure_path = \"../parameters/pcsaft/esper2023.json\")\n", - "dippr_parameters = feos.Parameters.from_json(substances = ['water'], pure_path = \"../parameters/ideal_gas/poling2000.json\")" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "045e7402-fe3c-4abc-862f-c450a4f38739", - "metadata": {}, - "outputs": [], - "source": [ - "eos = feos.EquationOfState.pcsaft(pc_saft_parameters).dippr(dippr_parameters)" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "9050cf98-9ff4-45fe-8c91-58ab20c69f4b", - "metadata": {}, - "outputs": [], - "source": [ - "vle = feos.PhaseDiagram.pure(\n", - " eos=eos,\n", - " min_temperature=100*si.CELSIUS,\n", - " npoints = 1000,\n", - ")\n", - "\n", - "spinodal = feos.PhaseDiagram.spinodal(\n", - " eos=eos,\n", - " molefracs=np.array([1.0]),\n", - " min_temperature=100*si.CELSIUS,\n", - " npoints = 1000,\n", - ")\n", - "\n", - "# isotherm at T = 0.95 * T_c\n", - "t = 0.95 * feos.State.critical_point(eos).temperature\n", - "isotherm = []\n", - "for density in si.linspace(vle.vapor.density[0], vle.liquid.density[0], 1000):\n", - " state = feos.State(eos, t, density=density)\n", - " isotherm.append({\n", - " \"density\": density / (si.MOL / si.METER**3),\n", - " \"pressure\": state.pressure() / si.PASCAL,\n", - " \"mass density\": state.mass_density() / si.KILOGRAM * si.METER**3,\n", - " \"specific enthalpy\": state.specific_enthalpy() / (si.KILO * si.JOULE / si.KILOGRAM),\n", - " })" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "25f25f4c-ef65-4697-a2df-6c997605da7a", - "metadata": {}, - "outputs": [], - "source": [ - "df_vle = pd.DataFrame(vle.to_dict())\n", - "df_spinodal = pd.DataFrame(spinodal.to_dict())\n", - "df_isotherm = pd.DataFrame(isotherm)" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "e5e03dd4-1bc1-4bb4-bde1-4497486ec94e", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(8,6))\n", - "sns.lineplot(data=df_vle, x=\"mass density vapor\", y=\"pressure\", color=colors[0], label=\"vle\")\n", - "sns.lineplot(data=df_vle, x=\"mass density liquid\", y=\"pressure\", color=colors[0])\n", - "sns.lineplot(data=df_spinodal, x=\"mass density vapor\", y=\"pressure vapor\", color=colors[1], label=\"spinodal\")\n", - "sns.lineplot(data=df_spinodal, x=\"mass density liquid\", y=\"pressure liquid\", color=colors[1])\n", - "sns.lineplot(data=df_isotherm, x=\"mass density\", y=\"pressure\", color=colors[2], label=f\"T = {t / si.KELVIN:.2f} K\")\n", - "\n", - "plt.legend(frameon=False, bbox_to_anchor=(1,1))\n", - "plt.xlabel(r\"$\\rho$ / kg / m$^3$\")\n", - "plt.ylabel(r\"$p$ / Pa\")\n", - "plt.ylim(0, 4e7);" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "c439be31-9364-491e-9022-f9f8940bc16f", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(8,6))\n", - "sns.lineplot(data=df_vle, x=\"specific enthalpy vapor\", y=\"pressure\", color=colors[0], sort=False, label=\"vle\")\n", - "sns.lineplot(data=df_vle, x=\"specific enthalpy liquid\", y=\"pressure\", color=colors[0], sort=False)\n", - "sns.lineplot(data=df_spinodal, x=\"specific enthalpy vapor\", y=\"pressure vapor\", color=colors[1], sort=False, label=\"spinodal\")\n", - "sns.lineplot(data=df_spinodal, x=\"specific enthalpy liquid\", y=\"pressure liquid\", color=colors[1], sort=False)\n", - "sns.lineplot(data=df_isotherm, x=\"specific enthalpy\", y=\"pressure\", color=colors[2], sort=False, label=f\"T = {t / si.KELVIN:.2f} K\")\n", - "\n", - "plt.legend(frameon=False, bbox_to_anchor=(1,1))\n", - "plt.xlabel(r\"$h$ / kJ / kg\")\n", - "plt.ylabel(r\"$p$ / Pa\")\n", - "plt.ylim(0, 4e7);" - ] - }, - { - "cell_type": "markdown", - "id": "a245a174-3f75-4148-9fbb-06c0618cad0a", - "metadata": {}, - "source": [ - "## Using `to_dict` for `StateVec`s.\n", - "\n", - "If you are only interested in one phase of the phase diagram, you can use the `StateVec` objects. They store `State`s of each phase separately and provide methods to conveniently calculate a property for all states. Alternatively, you can use `to_dict` to calculate multiple properties at once." - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "1dc3c339-5923-4798-8c96-f105b085da62", - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "array([ 2195134.72382008, 2203719.55166024, 2212325.90660834,\n", - " 2220953.81232205, 2229603.29247895, 2238274.37077683,\n", - " 2246967.07093383, 2255681.4166888 , 2264417.43180144,\n", - " 2273175.14005263, 2281954.56524459, 2290755.73120118,\n", - " 2299578.66176815, 2308423.38081332, 2317289.91222689,\n", - " 2326178.27992163, 2335088.50783317, 2344020.6199202 ,\n", - " 2352974.64016474, 2361950.59257239, 2370948.50117252,\n", - " 2379968.39001857, 2389010.28318829, 2398074.20478393,\n", - " 2407160.17893252, 2416268.22978613, 2425398.38152209,\n", - " 2434550.6583432 , 2443725.08447804, 2452921.68418116,\n", - " 2462140.48173337, 2471381.5014419 , 2480644.76764075,\n", - " 2489930.30469084, 2499238.13698032, 2508568.28892475,\n", - " 2517920.78496742, 2527295.64957951, 2536692.90726038,\n", - " 2546112.58253783, 2555554.69996827, 2565019.28413705,\n", - " 2574506.35965865, 2584015.95117693, 2593548.08336538,\n", - " 2603102.78092736, 2612680.06859635, 2622279.9711362 ,\n", - " 2631902.51334131, 2641547.72003698, 2651215.61607958,\n", - " 2660906.22635679, 2670619.57578789, 2680355.68932395,\n", - " 2690114.59194815, 2699896.3086759 , 2709700.86455524,\n", - " 2719528.28466693, 2729378.59412481, 2739251.818076 ,\n", - " 2749147.98170112, 2759067.11021458, 2769009.22886479,\n", - " 2778974.36293442, 2788962.53774065, 2798973.77863539,\n", - " 2809008.11100558, 2819065.56027334, 2829146.15189632,\n", - " 2839249.91136787, 2849376.86421733, 2859527.03601023,\n", - " 2869700.45234862, 2879897.13887118, 2890117.12125362,\n", - " 2900360.42520882, 2910627.07648708, 2920917.10087645,\n", - " 2931230.52420288, 2941567.37233051, 2951927.67116195,\n", - " 2962311.44663845, 2972718.72474022, 2983149.53148662,\n", - " 2993603.89293646, 3004081.8351882 , 3014583.38438023,\n", - " 3025108.56669112, 3035657.40833985, 3046229.93558604,\n", - " 3056826.17473028, 3067446.15211426, 3078089.89412115,\n", - " 3088757.42717572, 3099448.77774469, 3110163.97233696,\n", - " 3120903.03750378, 3131665.99983913, 3142452.88597987,\n", - " 3153263.72260604, 3164098.53644109, 3174957.35425214,\n", - " 3185840.20285024, 3196747.1090906 , 3207678.09987285,\n", - " 3218633.20214134, 3229612.44288529, 3240615.84913916,\n", - " 3251643.44798281, 3262695.26654182, 3273771.33198769,\n", - " 3284871.67153815, 3295996.31245736, 3307145.28205621,\n", - " 3318318.60769255, 3329516.31677145, 3340738.43674545,\n", - " 3351984.99511485, 3363256.01942792, 3374551.5372812 ,\n", - " 3385871.5763197 , 3397216.16423726, 3408585.32877665,\n", - " 3419979.09773002, 3431397.49893899, 3442840.56029501,\n", - " 3454308.30973959, 3465800.77526456, 3477317.98491233,\n", - " 3488859.96677613, 3500426.74900034, 3512018.35978066,\n", - " 3523634.82736442, 3535276.18005089, 3546942.44619145,\n", - " 3558633.6541899 , 3570349.83250273, 3582091.00963938,\n", - " 3593857.21416248, 3605648.47468815, 3617464.81988626,\n", - " 3629306.27848068, 3641172.87924954, 3653064.65102553,\n", - " 3664981.62269616, 3676923.82320398, 3688891.2815469 ,\n", - " 3700884.02677849, 3712902.08800815, 3724945.49440144,\n", - " 3737014.27518038, 3749108.45962367, 3761228.07706697,\n", - " 3773373.15690319, 3785543.72858276, 3797739.8216139 ,\n", - " 3809961.46556287, 3822208.69005431, 3834481.52477141,\n", - " 3846779.99945631, 3859104.14391028, 3871453.98799404,\n", - " 3883829.56162802, 3896230.89479267, 3908658.01752868,\n", - " 3921110.95993732, 3933589.7521807 , 3946094.42448202,\n", - " 3958625.0071259 , 3971181.53045863, 3983764.02488847,\n", - " 3996372.5208859 , 4009007.04898394, 4021667.63977844,\n", - " 4034354.32392833, 4047067.13215591, 4059806.0952472 ,\n", - " 4072571.24405211, 4085362.60948484, 4098180.22252412,\n", - " 4111024.11421351, 4123894.31566163, 4136790.85804258,\n", - " 4149713.77259611, 4162663.09062797, 4175638.84351017,\n", - " 4188641.06268134, 4201669.77964694, 4214725.02597962,\n", - " 4227806.83331947, 4240915.23337436, 4254050.25792018,\n", - " 4267211.93880122, 4280400.30793038, 4293615.39728956,\n", - " 4306857.23892988, 4320125.86497203, 4333421.30760654,\n", - " 4346743.59909414, 4360092.771766 , 4373468.85802405,\n", - " 4386871.89034134, 4400301.90126226, 4413758.92340294,\n", - " 4427242.98945147, 4440754.13216829, 4454292.3843864 ,\n", - " 4467857.77901181, 4481450.34902375, 4495070.12747497,\n", - " 4508717.14749214, 4522391.44227612, 4536093.04510224,\n", - " 4549821.98932069, 4563578.30835677, 4577362.03571127,\n", - " 4591173.20496073, 4605011.84975781, 4618878.00383161,\n", - " 4632771.70098794, 4646692.9751097 , 4660641.8601572 ,\n", - " 4674618.39016845, 4688622.59925952, 4702654.52162486,\n", - " 4716714.19153762, 4730801.64335002, 4744916.9114936 ,\n", - " 4759060.03047965, 4773231.03489947, 4787429.95942475,\n", - " 4801656.83880787, 4815911.70788227, 4830194.60156278,\n", - " 4844505.55484595, 4858844.60281038, 4873211.7806171 ,\n", - " 4887607.12350987, 4902030.66681557, 4916482.4459445 ,\n", - " 4930962.49639074, 4945470.85373255, 4960007.55363264,\n", - " 4974572.63183853, 4989166.12418299, 5003788.0665843 ,\n", - " 5018438.49504661, 5033117.44566036, 5047824.95460258,\n", - " 5062561.05813728, 5077325.79261576, 5092119.19447706,\n", - " 5106941.30024822, 5121792.14654471, 5136671.77007079,\n", - " 5151580.20761986, 5166517.49607481, 5181483.67240844,\n", - " 5196478.77368377, 5211502.83705448, 5226555.89976523,\n", - " 5241637.99915204, 5256749.17264269, 5271889.45775709,\n", - " 5287058.89210765, 5302257.51339968, 5317485.35943171,\n", - " 5332742.468096 , 5348028.87737879, 5363344.62536076,\n", - " 5378689.75021741, 5394064.29021943, 5409468.28373312,\n", - " 5424901.76922075, 5440364.785241 , 5455857.3704493 ,\n", - " 5471379.56359827, 5486931.40353811, 5502512.92921701,\n", - " 5518124.17968151, 5533765.19407693, 5549436.01164785,\n", - " 5565136.67173837, 5580867.21379265, 5596627.67735526,\n", - " 5612418.10207159, 5628238.52768828, 5644088.99405367,\n", - " 5659969.54111814, 5675880.20893461, 5691821.03765893,\n", - " 5707792.06755026, 5723793.33897156, 5739824.89239001,\n", - " 5755886.76837742, 5771979.00761065, 5788101.65087208,\n", - " 5804254.73904998, 5820438.31313906, 5836652.4142408 ,\n", - " 5852897.08356392, 5869172.36242487, 5885478.29224823,\n", - " 5901814.91456714, 5918182.2710238 , 5934580.4033699 ,\n", - " 5951009.35346707, 5967469.16328731, 5983959.87491353,\n", - " 6000481.53053986, 6017034.17247231, 6033617.84312905,\n", - " 6050232.58504099, 6066878.44085219, 6083555.45332036,\n", - " 6100263.66531735, 6117003.11982956, 6133773.85995847,\n", - " 6150575.9289211 , 6167409.37005048, 6184274.22679621,\n", - " 6201170.54272481, 6218098.36152031, 6235057.72698474,\n", - " 6252048.68303856, 6269071.27372121, 6286125.54319157,\n", - " 6303211.53572849, 6320329.2957313 , 6337478.86772029,\n", - " 6354660.29633718, 6371873.62634573, 6389118.90263217,\n", - " 6406396.17020573, 6423705.47419919, 6441046.85986938,\n", - " 6458420.37259764, 6475826.05789052, 6493263.96138009,\n", - " 6510734.12882461, 6528236.60610904, 6545771.43924554,\n", - " 6563338.67437403, 6580938.35776276, 6598570.5358088 ,\n", - " 6616235.25503862, 6633932.56210862, 6651662.50380572,\n", - " 6669425.12704788, 6687220.47888463, 6705048.60649772,\n", - " 6722909.55720159, 6740803.37844403, 6758730.11780663,\n", - " 6776689.82300546, 6794682.5418916 , 6812708.32245174,\n", - " 6830767.21280869, 6848859.26122208, 6866984.51608884,\n", - " 6885143.02594388, 6903334.83946062, 6921560.00545161,\n", - " 6939818.57286912, 6958110.59080575, 6976436.10849507,\n", - " 6994795.17531215, 7013187.84077429, 7031614.15454147,\n", - " 7050074.16641716, 7068567.9263488 , 7087095.48442849,\n", - " 7105656.89089361, 7124252.19612744, 7142881.4506598 ,\n", - " 7161544.70516774, 7180242.01047609, 7198973.41755817,\n", - " 7217738.97753644, 7236538.74168313, 7255372.76142092,\n", - " 7274241.08832363, 7293143.77411672, 7312080.87067824,\n", - " 7331052.43003927, 7350058.5043847 , 7369099.14605385,\n", - " 7388174.40754121, 7407284.34149716, 7426429.00072851,\n", - " 7445608.43819939, 7464822.70703179, 7484071.86050636,\n", - " 7503355.95206311, 7522675.03530203, 7542029.16398393,\n", - " 7561418.39203111, 7580842.77352803, 7600302.36272215,\n", - " 7619797.21402453, 7639327.38201071, 7658892.92142132,\n", - " 7678493.8871629 , 7698130.33430864, 7717802.31809913,\n", - " 7737509.8939431 , 7757253.1174182 , 7777032.0442718 ,\n", - " 7796846.73042164, 7816697.23195681, 7836583.60513832,\n", - " 7856505.90640001, 7876464.19234932, 7896458.5197681 ,\n", - " 7916488.94561333, 7936555.52701801, 7956658.32129193,\n", - " 7976797.38592253, 7996972.7785756 , 8017184.55709627,\n", - " 8037432.77950973, 8057717.50402208, 8078038.78902117,\n", - " 8098396.69307748, 8118791.27494496, 8139222.59356177,\n", - " 8159690.70805137, 8180195.67772315, 8200737.56207346,\n", - " 8221316.42078641, 8241932.31373478, 8262585.30098086,\n", - " 8283275.44277744, 8304002.79956859, 8324767.43199067,\n", - " 8345569.40087316, 8366408.76723957, 8387285.59230847,\n", - " 8408199.93749429, 8429151.8644083 , 8450141.43485962,\n", - " 8471168.71085596, 8492233.75460485, 8513336.62851433,\n", - " 8534477.39519411, 8555656.11745645, 8576872.8583171 ,\n", - " 8598127.68099633, 8619420.64892 , 8640751.82572034,\n", - " 8662121.27523714, 8683529.06151869, 8704975.24882279,\n", - " 8726459.90161774, 8747983.08458343, 8769544.86261231,\n", - " 8791145.3008105 , 8812784.46449874, 8834462.41921355,\n", - " 8856179.23070819, 8877934.96495381, 8899729.68814044,\n", - " 8921563.46667818, 8943436.36719817, 8965348.45655374,\n", - " 8987299.80182156, 9009290.47030265, 9031320.52952355,\n", - " 9053390.04723751, 9075499.09142548, 9097647.73029735,\n", - " 9119836.03229305, 9142064.0660838 , 9164331.90057309,\n", - " 9186639.60489805, 9208987.2484305 , 9231374.90077821,\n", - " 9253802.63178598, 9276270.511537 , 9298778.61035397,\n", - " 9321326.99880031, 9343915.74768146, 9366544.92804598,\n", - " 9389214.61118698, 9411924.8686432 , 9434675.77220042,\n", - " 9457467.39389256, 9480299.80600317, 9503173.08106655,\n", - " 9526087.29186909, 9549042.51145064, 9572038.81310573,\n", - " 9595076.27038495, 9618154.95709635, 9641274.94730657,\n", - " 9664436.31534248, 9687639.13579231, 9710883.48350712,\n", - " 9734169.43360221, 9757497.06145844, 9780866.44272368,\n", - " 9804277.65331421, 9827730.76941612, 9851225.86748681,\n", - " 9874763.02425635, 9898342.31672896, 9921963.82218455,\n", - " 9945627.61818006, 9969333.78255101, 9993082.39341309,\n", - " 10016873.52916348, 10040707.26848255, 10064583.69033518,\n", - " 10088502.87397257, 10112464.89893356, 10136469.84504632,\n", - " 10160517.79242983, 10184608.8214956 , 10208743.01294911,\n", - " 10232920.44779158, 10257141.20732145, 10281405.37313609,\n", - " 10305713.02713347, 10330064.25151371, 10354459.12878091,\n", - " 10378897.74174466, 10403380.1735219 , 10427906.5075385 ,\n", - " 10452476.8275311 , 10477091.21754865, 10501749.76195446,\n", - " 10526452.54542768, 10551199.65296523, 10575991.16988349,\n", - " 10600827.18182026, 10625707.7747364 , 10650633.0349178 ,\n", - " 10675603.04897708, 10700617.90385558, 10725677.68682523,\n", - " 10750782.4854903 , 10775932.38778949, 10801127.48199773,\n", - " 10826367.85672808, 10851653.60093384, 10876984.80391033,\n", - " 10902361.55529697, 10927783.94507932, 10953252.06359095,\n", - " 10978766.00151558, 11004325.84988905, 11029931.70010149,\n", - " 11055583.64389925, 11081281.77338714, 11107026.18103035,\n", - " 11132816.95965677, 11158654.20245908, 11184538.00299682,\n", - " 11210468.45519869, 11236445.65336458, 11262469.69216806,\n", - " 11288540.66665827, 11314658.67226249, 11340823.80478814,\n", - " 11367036.16042529, 11393295.83574879, 11419602.92772076,\n", - " 11445957.53369273, 11472359.7514082 , 11498809.67900494,\n", - " 11525307.41501735, 11551853.05837899, 11578446.70842489,\n", - " 11605088.46489419, 11631778.42793244, 11658516.69809419,\n", - " 11685303.37634559, 11712138.56406677, 11739022.36305456,\n", - " 11765954.87552505, 11792936.20411615, 11819966.45189026,\n", - " 11847045.7223369 , 11874174.11937549, 11901351.74735792,\n", - " 11928578.71107136, 11955855.11574109, 11983181.06703303,\n", - " 12010556.6710568 , 12037982.03436837, 12065457.26397305,\n", - " 12092982.46732826, 12120557.75234643, 12148183.227398 ,\n", - " 12175859.00131432, 12203585.18339063, 12231361.88338907,\n", - " 12259189.21154171, 12287067.27855363, 12314996.1956059 ,\n", - " 12342976.07435892, 12371007.0269553 , 12399089.16602314,\n", - " 12427222.6046793 , 12455407.45653249, 12483643.83568667,\n", - " 12511931.85674416, 12540271.63480919, 12568663.28549094,\n", - " 12597106.92490718, 12625602.66968759, 12654150.63697716,\n", - " 12682750.94443969, 12711403.71026126, 12740109.05315391,\n", - " 12768867.09235893, 12797677.94765079, 12826541.73934045,\n", - " 12855458.58827936, 12884428.61586282, 12913451.94403397,\n", - " 12942528.69528754, 12971658.99267349, 13000842.95980102,\n", - " 13030080.7208424 , 13059372.40053694, 13088718.12419476,\n", - " 13118118.01770103, 13147572.20751993, 13177080.8206985 ,\n", - " 13206643.98487113, 13236261.8282634 , 13265934.47969645,\n", - " 13295662.06859113, 13325444.72497226, 13355282.57947306,\n", - " 13385175.76333937, 13415124.40843413, 13445128.64724176,\n", - " 13475188.61287279, 13505304.43906821, 13535476.26020418,\n", - " 13565704.2112966 , 13595988.42800577, 13626329.04664122,\n", - " 13656726.20416624, 13687180.03820293, 13717690.68703696,\n", - " 13748258.28962253, 13778882.98558722, 13809564.91523712,\n", - " 13840304.2195618 , 13871101.04023957, 13901955.51964252,\n", - " 13932867.80084166, 13963838.02761251, 13994866.34444015,\n", - " 14025952.89652461, 14057097.82978651, 14088301.29087239,\n", - " 14119563.42716036, 14150884.38676563, 14182264.31854627,\n", - " 14213703.37210888, 14245201.69781448, 14276759.44678424,\n", - " 14308376.77090551, 14340053.8228378 , 14371790.75601866,\n", - " 14403587.7246701 , 14435444.8838045 , 14467362.38923099,\n", - " 14499340.39756169, 14531379.06621825, 14563478.5534381 ,\n", - " 14595639.0182811 , 14627860.6206361 , 14660143.52122777,\n", - " 14692487.88162293, 14724893.86423788, 14757361.63234492,\n", - " 14789891.35007959, 14822483.18244745, 14855137.29533142,\n", - " 14887853.85549897, 14920633.03060933, 14953474.98922091,\n", - " 14986379.90079877, 15019347.93572218, 15052379.2652922 ,\n", - " 15085474.06173947, 15118632.49823189, 15151854.74888275,\n", - " 15185140.9887585 , 15218491.393887 , 15251906.14126544,\n", - " 15285385.40886907, 15318929.37565911, 15352538.22159152,\n", - " 15386212.12762535, 15419951.27573167, 15453755.84890218,\n", - " 15487626.03115808, 15521562.00755921, 15555563.9642129 ,\n", - " 15589632.08828353, 15623766.56800143, 15657967.59267274,\n", - " 15692235.35268861, 15726570.03953517, 15760971.84580296,\n", - " 15795440.96519716, 15829977.59254751, 15864581.92381838,\n", - " 15899254.15611916, 15933994.4877146 , 15968803.11803535,\n", - " 16003680.24768879, 16038626.07846958, 16073640.81337074,\n", - " 16108724.65659479, 16143877.81356483, 16179100.49093602,\n", - " 16214392.8966071 , 16249755.23973199, 16285187.73073156,\n", - " 16320690.58130581, 16356264.00444571, 16391908.21444573,\n", - " 16427623.42691619, 16463409.85879572, 16499267.72836437,\n", - " 16535197.25525618, 16571198.66047269, 16607272.16639581,\n", - " 16643417.9968016 , 16679636.37687391, 16715927.53321803,\n", - " 16752291.6938749 , 16788729.08833518, 16825239.94755377,\n", - " 16861824.50396449, 16898482.99149464, 16935215.6455803 ,\n", - " 16972022.70318133, 17008904.40279695, 17045860.98448144,\n", - " 17082892.68985974, 17119999.76214393, 17157182.44614917,\n", - " 17194440.98831067, 17231775.63670013, 17269186.64104298,\n", - " 17306674.25273556, 17344238.72486271, 17381880.31221557,\n", - " 17419599.27130956, 17457395.86040277, 17495270.33951452,\n", - " 17533222.97044407, 17571254.01678998, 17609363.74396948,\n", - " 17647552.41923792, 17685820.31170922, 17724167.69237567,\n", - " 17762594.83412901, 17801102.01178102, 17839689.50208497,\n", - " 17878357.58375701, 17917106.53749824, 17955936.64601675,\n", - " 17994848.19405055, 18033841.46839001, 18072916.75790166,\n", - " 18112074.35355147, 18151314.54842905, 18190637.63777208,\n", - " 18230043.91899097, 18269533.69169436, 18309107.25771433,\n", - " 18348764.92113273, 18388506.98830741, 18428333.76789932,\n", - " 18468245.57089958, 18508242.7106573 , 18548325.50290813,\n", - " 18588494.2658022 , 18628749.31993411, 18669090.98837195,\n", - " 18709519.59668797, 18750035.47298865, 18790638.94794646,\n", - " 18831330.35483125, 18872110.02954245, 18912978.31064215,\n", - " 18953935.53938818, 18994982.05976836, 19036118.21853469,\n", - " 19077344.36523888, 19118660.8522678 , 19160068.03488027,\n", - " 19201566.2712437 , 19243155.92247202, 19284837.35266423,\n", - " 19326610.92894308, 19368477.02149536, 19410436.00361206,\n", - " 19452488.2517298 , 19494634.14547295, 19536874.06769619,\n", - " 19579208.4045285 , 19621637.54541717, 19664161.8831734 ,\n", - " 19706781.81401831, 19749497.73762994, 19792310.05719119,\n", - " 19835219.17943849, 19878225.51471194, 19921329.47700561,\n", - " 19964531.4840196 , 20007831.95721268, 20051231.32185599,\n", - " 20094730.00708816, 20138328.44597087, 20182027.0755465 ,\n", - " 20225826.33689559, 20269726.6751973 , 20313728.53978887,\n", - " 20357832.38422865, 20402038.66635835, 20446347.84836806,\n", - " 20490760.39686193, 20535276.78292532, 20579897.48219354,\n", - " 20624622.97492201, 20669453.74605764, 20714390.28531215,\n", - " 20759433.08723692, 20804582.65129898, 20849839.48195946,\n", - " 20895204.08875313, 20940676.98637006, 20986258.69473889,\n", - " 21031949.73911209, 21077750.65015314, 21123661.96402586,\n", - " 21169684.2224853 , 21215817.97297131, 21262063.76870391,\n", - " 21308422.16878101, 21354893.7382784 , 21401479.04835232,\n", - " 21448178.67634413, 21494993.20588748, 21541923.22701882,\n", - " 21588969.33628921, 21636132.13688053, 21683412.23872319,\n", - " 21730810.25861737, 21778326.82035739, 21825962.55485901,\n", - " 21873718.10028983, 21921594.10220332, 21969591.21367617,\n", - " 22017710.09544934, 22065951.41607225, 22114315.85205168,\n", - " 22162804.08800384, 22211416.81681086, 22260154.73978132,\n", - " 22309018.5668154 , 22358009.01657422, 22407126.81665404,\n", - " 22456372.7037654 , 22505747.42391688, 22555251.73260453,\n", - " 22604886.3950062 , 22654652.18618202, 22704549.89127982,\n", - " 22754580.30574762, 22804744.23555151, 22855042.49740017,\n", - " 22905475.91897631, 22956045.3391749 , 23006751.6083488 ,\n", - " 23057595.58856164, 23108578.15384859, 23159700.19048579,\n", - " 23210962.59726714, 23262366.28579102, 23313912.18075562,\n", - " 23365601.22026365, 23417434.35613728, 23469412.55424368,\n", - " 23521536.79483064, 23573808.07287402, 23626227.39843699,\n", - " 23678795.79704093, 23731514.31004985, 23784383.99506781,\n", - " 23837405.92635044, 23890581.19523086, 23943910.91056123,\n", - " 23997396.19916995, 24051038.2063361 , 24104838.09628076,\n", - " 24158797.05267747, 24212916.27918097, 24267196.9999777 ,\n", - " 24321640.46035549, 24376247.92729754, 24431020.69009849,\n", - " 24485960.06100559, 24541067.37588573, 24596343.99491976,\n", - " 24651791.30332506, 24707410.7121092 , 24763203.65885467,\n", - " 24819171.60853741, 24875316.05438136, 24931638.5187493 ,\n", - " 24988140.554075 , 25044823.74383536, 25101689.70356881,\n", - " 25158740.08193894, 25215976.56184923, 25273400.86160998,\n", - " 25331014.73616128, 25388819.97835604, 25446818.42030566,\n", - " 25505011.93479406, 25563402.43676263, 25621991.88487218,\n", - " 25680782.28314673, 25739775.68270434, 25798974.18358129,\n", - " 25858379.93665642, 25917995.14568195, 25977822.06942984,\n", - " 26037863.02396023, 26098120.38502369, 26158596.59060504,\n", - " 26219294.14362109, 26280215.61478364, 26341363.64564282,\n", - " 26402740.95182192, 26464350.32646399, 26526194.64390433,\n", - " 26588276.86359123, 26650600.03427485, 26713167.29848932,\n", - " 26775981.89735501, 26839047.1757302 , 26902366.58774581,\n", - " 26965943.70276096, 27029782.21178122, 27093885.93438558,\n", - " 27158258.82621735, 27222904.98709694, 27287828.66982601,\n", - " 27353034.28976023, 27418526.4352385 , 27484309.87896966,\n", - " 27550389.59049384, 27616770.74985042, 27683458.76260772,\n", - " 27750459.27643505, 27817778.19942374, 27885421.72040468,\n", - " 27953396.33154815, 28021708.85358789, 28090366.46407374,\n", - " 28159376.72913661, 28228747.63934661, 28298487.650369 ,\n", - " 28368605.72927587, 28439111.40756421, 28510014.84218379,\n", - " 28581326.88620012, 28653059.17113926, 28725224.20361896,\n", - " 28797835.47961994, 28870907.62076274, 28944456.53835616,\n", - " 29018499.63294442, 29093056.03988202, 29168146.93555284,\n", - " 29243795.92496318, 29320029.54081883, 29396877.89904942,\n", - " 29474375.58014303, 29552562.84742695, 29631487.38871485,\n", - " 29711206.9120235 , 29791793.22473821, 29873339.10873857,\n", - " 29955971.09223247, 30039876.92026505, 30125381.83609614,\n", - " 30213398.57119887]) Pa" - ] - }, - "execution_count": 8, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "# pressures of vapor spinodal\n", - "spinodal.vapor.pressure" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "id": "debd7cca-8b99-485c-8d25-9de8ea21a02c", - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "
\n", - "\n", - "\n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - "
densitymolar entropymolar enthalpytemperaturespecific entropypressurespecific enthalpymass density
053476.954297-0.060682-38.296278373.150000-3.369185100461.912545-2126.271605963.173424
153461.088499-0.060625-38.274789373.455093-3.365992101563.880437-2125.078481962.887665
253445.215431-0.060567-38.253296373.760186-3.362801102675.897451-2123.885157962.601775
353429.335057-0.060510-38.231799374.065278-3.359612103798.034688-2122.691631962.315754
453413.447342-0.060453-38.210299374.370371-3.356426104930.363581-2121.497903962.029600
\n", - "
" - ], - "text/plain": [ - " density molar entropy molar enthalpy temperature specific entropy \\\n", - "0 53476.954297 -0.060682 -38.296278 373.150000 -3.369185 \n", - "1 53461.088499 -0.060625 -38.274789 373.455093 -3.365992 \n", - "2 53445.215431 -0.060567 -38.253296 373.760186 -3.362801 \n", - "3 53429.335057 -0.060510 -38.231799 374.065278 -3.359612 \n", - "4 53413.447342 -0.060453 -38.210299 374.370371 -3.356426 \n", - "\n", - " pressure specific enthalpy mass density \n", - "0 100461.912545 -2126.271605 963.173424 \n", - "1 101563.880437 -2125.078481 962.887665 \n", - "2 102675.897451 -2123.885157 962.601775 \n", - "3 103798.034688 -2122.691631 962.315754 \n", - "4 104930.363581 -2121.497903 962.029600 " - ] - }, - "execution_count": 9, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "# selected properties of the VLE-liquid branch\n", - "pd.DataFrame(vle.liquid.to_dict()).head()" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "id": "f424fae8-8967-4809-9e40-12e4b5156f44", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "# DataFrames work nicely with seaborn:\n", - "\n", - "plt.figure(figsize=(8,6))\n", - "sns.lineplot(\n", - " data=pd.DataFrame(vle.liquid.to_dict()),\n", - " x=\"specific enthalpy\", \n", - " y=\"pressure\", \n", - " color=colors[0], \n", - " sort=False, \n", - " label=\"vle\"\n", - ")\n", - "sns.lineplot(\n", - " data=pd.DataFrame(spinodal.liquid.to_dict()),\n", - " x=\"specific enthalpy\", \n", - " y=\"pressure\", \n", - " color=colors[1], \n", - " sort=False, \n", - " label=\"spinodal\"\n", - ")\n", - "plt.legend(frameon=False)\n", - "plt.xlabel(r\"$h$ / kJ / kg\")\n", - "plt.ylabel(r\"$p$ / Pa\")\n", - "plt.ylim(0, 3.5e7);" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.13.5" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/pcsaft/Entropy Scaling.ipynb b/examples/pcsaft/Entropy Scaling.ipynb deleted file mode 100644 index ea6dba41b..000000000 --- a/examples/pcsaft/Entropy Scaling.ipynb +++ /dev/null @@ -1,611 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Entropy scaling of pure substances\n", - "\n", - "## Goal\n", - "\n", - "- Learn how to compute dynamic properties (viscosity in this example)\n", - "- Compare substance specific parameters against homo-segmented group contribution\n", - "- Compare viscosity to NIST data (generated in NIST's [webapp](https://webbook.nist.gov/chemistry/fluid/))\n", - "\n", - "## Import needed packages" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "metadata": {}, - "outputs": [], - "source": [ - "from feos.pcsaft import *\n", - "from feos.eos import *\n", - "import matplotlib.pyplot as plt\n", - "import si_units as si\n", - "import seaborn as sns\n", - "import numpy as np\n", - "import pandas as pd\n", - "\n", - "sns.set_context(\"talk\")\n", - "sns.set_palette(\"Dark2\")\n", - "sns.set_style(\"ticks\")" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## PC-SAFT (individual component parameters)\n", - "\n", - "First, we read parameters adjusted to hexane saturation pressure and liquid densities (for the regular SAFT parameters) and to viscosity (for correlation). " - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": {}, - "outputs": [ - { - "data": { - "text/markdown": [ - "|component|molarweight|$m$|$\\sigma$|$\\varepsilon$|$\\mu$|$Q$|$\\kappa_{AB}$|$\\varepsilon_{AB}$|$N_A$|$N_B$|$N_C$|\n", - "|-|-|-|-|-|-|-|-|-|-|-|-|\n", - "|hexane|86.177|3.0576|3.7983|236.77|-|-|-|-|0|0|0|" - ], - "text/plain": [ - "" - ] - }, - "execution_count": 2, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "parameters = PcSaftParameters.from_json(\n", - " [\"hexane\"], \"../../parameters/pcsaft/loetgeringlin2018.json\"\n", - ")\n", - "parameters" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## PC-SAFT homo-GC\n", - "\n", - "For transparency, we build parameters by hand [following the official tutorial](https://feos-org.github.io/feos/examples/eos/pcsaft/pcsaft_working_with_parameters.html#From-Python)." - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": {}, - "outputs": [], - "source": [ - "hexane = ChemicalRecord(\n", - " identifier=Identifier(\n", - " cas=\"110-54-3\",\n", - " name=\"hexane\",\n", - " iupac_name=\"hexane\",\n", - " smiles=\"CCCCCC\",\n", - " inchi=\"InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3\",\n", - " formula=\"C6H14\"\n", - " ),\n", - " segments=['CH3', 'CH2', 'CH2', 'CH2', 'CH2', 'CH3']\n", - ")\n", - "\n", - "ch3 = SegmentRecord(\n", - " 'CH3', \n", - " molarweight=15.0345, \n", - " model_record=PcSaftRecord(\n", - " m=0.61198, sigma=3.7202, epsilon_k=229.90,\n", - " viscosity=[-8.6878e-3, -1.7951e-1, -12.2359e-2, -0.01245]\n", - " )\n", - ")\n", - "\n", - "ch2 = SegmentRecord(\n", - " 'CH2', \n", - " molarweight=14.02658, \n", - " model_record=PcSaftRecord(\n", - " m=0.45606, sigma=3.8900, epsilon_k=239.01,\n", - " viscosity=[-0.9194e-3, -1.3316e-1, -4.2657e-2, -0.01245]\n", - " )\n", - ")\n", - "\n", - "segment_records = {r.identifier: r for r in [ch3, ch2]}\n", - "\n", - "def from_segments(chemical_record, segment_records):\n", - " m = 0\n", - " s3 = 0\n", - " eps = 0\n", - " mw = 0\n", - " viscosity = np.zeros(4)\n", - " for s in chemical_record.segments:\n", - " segment = segment_records[s]\n", - " mw += segment.molarweight\n", - " m += segment.model_record.m\n", - " s3 += segment.model_record.m * segment.model_record.sigma**3\n", - " eps += segment.model_record.m * segment.model_record.epsilon_k\n", - " v = segment.model_record.viscosity\n", - " viscosity += np.array([\n", - " v[0] * segment.model_record.m * segment.model_record.sigma**3, \n", - " v[1] * segment.model_record.m * segment.model_record.sigma**3, \n", - " v[2], \n", - " v[3]\n", - " ])\n", - " viscosity[1] /= s3**0.45\n", - " \n", - " # We have to shift the \"A\" parameter because the implemented reference\n", - " # is eta_CE according to eq. 3 of Loetgerin-Lin (2018)\n", - " # A = A(GC) + log(sqrt(1/m)) = -log(m)/2\n", - " viscosity[0] += np.log(np.sqrt(1/m))\n", - " saft_record = PcSaftRecord(m, np.cbrt(s3 / m), eps / m, viscosity=viscosity)\n", - " return PureRecord(chemical_record.identifier, mw, saft_record)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### Build equations of state\n", - "\n", - "We instantiate an equation of state for each parameter set. `saft` uses substance specific parameters while `saft_gc` uses homo GC parameters both for SAFT as well as correlation parameters." - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": {}, - "outputs": [], - "source": [ - "parameters_gc = PcSaftParameters.new_pure(from_segments(hexane, segment_records))\n", - "saft_gc = EquationOfState.pcsaft(parameters_gc)\n", - "saft = EquationOfState.pcsaft(parameters)\n", - "\n", - "m_gc = parameters_gc.pure_records[0].model_record.m\n", - "m = parameters.pure_records[0].model_record.m" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### Compare parameters" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Substance specific: [-1.2035, -2.5958, -0.4816, -0.0865]\n", - "Segments : [-1.2034921145837285, -2.536713016411593, -0.415346, -0.0747]\n" - ] - } - ], - "source": [ - "print(\"Substance specific: \", parameters.pure_records[0].model_record.viscosity)\n", - "print(\"Segments : \", parameters_gc.pure_records[0].model_record.viscosity)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Compare methods to NIST data (T = 450 K)\n", - "\n", - "We will compute the residual entropy, viscosity and logarithmic reduced viscosity and compare to literature data (for which the entropy is computed with parameters fitted to the component, not GC)." - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "
\n", - "\n", - "\n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - "
Temperature (K)Pressure (MPa)Density (mol/m3)Volume (m3/mol)Internal Energy (kJ/mol)Enthalpy (kJ/mol)Entropy (J/mol*K)Cv (J/mol*K)Cp (J/mol*K)Sound Spd. (m/s)Joule-Thomson (K/MPa)Viscosity (Pa*s)Therm. Cond. (W/m*K)Phase
0450.00.012.67740.37350045.22948.964154.33193.37201.76212.4711.2040.0000090.029374vapor
1450.00.1129.98400.03335145.06548.734134.03193.94203.09209.0411.5100.0000090.029276vapor
2450.00.2158.32900.01714444.89648.496128.27194.53204.55205.4811.8420.0000090.029196vapor
3450.00.3187.82600.01138644.72048.249124.64195.15206.15201.7612.2070.0000090.029136vapor
4450.00.41118.61000.00843144.53647.992121.90195.80207.93197.8712.6080.0000100.029098vapor
\n", - "
" - ], - "text/plain": [ - " Temperature (K) Pressure (MPa) Density (mol/m3) Volume (m3/mol) \\\n", - "0 450.0 0.01 2.6774 0.373500 \n", - "1 450.0 0.11 29.9840 0.033351 \n", - "2 450.0 0.21 58.3290 0.017144 \n", - "3 450.0 0.31 87.8260 0.011386 \n", - "4 450.0 0.41 118.6100 0.008431 \n", - "\n", - " Internal Energy (kJ/mol) Enthalpy (kJ/mol) Entropy (J/mol*K) \\\n", - "0 45.229 48.964 154.33 \n", - "1 45.065 48.734 134.03 \n", - "2 44.896 48.496 128.27 \n", - "3 44.720 48.249 124.64 \n", - "4 44.536 47.992 121.90 \n", - "\n", - " Cv (J/mol*K) Cp (J/mol*K) Sound Spd. (m/s) Joule-Thomson (K/MPa) \\\n", - "0 193.37 201.76 212.47 11.204 \n", - "1 193.94 203.09 209.04 11.510 \n", - "2 194.53 204.55 205.48 11.842 \n", - "3 195.15 206.15 201.76 12.207 \n", - "4 195.80 207.93 197.87 12.608 \n", - "\n", - " Viscosity (Pa*s) Therm. Cond. (W/m*K) Phase \n", - "0 0.000009 0.029374 vapor \n", - "1 0.000009 0.029276 vapor \n", - "2 0.000009 0.029196 vapor \n", - "3 0.000009 0.029136 vapor \n", - "4 0.000010 0.029098 vapor " - ] - }, - "execution_count": 6, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "literature = pd.read_csv(\"hexane_nist.csv\", delimiter=\"\\t\")\n", - "literature.head()" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "
\n", - "\n", - "\n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - "
pressures*_res/mviscosityln_viscosity_reducedsourcerel.dev.
00.01-0.0005260.000009-1.170829literature0.000000
10.01-0.0005260.000009-1.202136saft-3.082130
20.01-0.0005310.000009-1.202146homo-GC-4.154342
30.11-0.0058620.000009-1.172124literature0.000000
40.11-0.0058620.000009-1.188299saft-1.604523
\n", - "
" - ], - "text/plain": [ - " pressure s*_res/m viscosity ln_viscosity_reduced source rel.dev.\n", - "0 0.01 -0.000526 0.000009 -1.170829 literature 0.000000\n", - "1 0.01 -0.000526 0.000009 -1.202136 saft -3.082130\n", - "2 0.01 -0.000531 0.000009 -1.202146 homo-GC -4.154342\n", - "3 0.11 -0.005862 0.000009 -1.172124 literature 0.000000\n", - "4 0.11 -0.005862 0.000009 -1.188299 saft -1.604523" - ] - }, - "execution_count": 7, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "results = []\n", - "for i, row in literature.iterrows():\n", - " t = row['Temperature (K)'] * si.KELVIN\n", - " p = row['Pressure (MPa)'] * si.MEGA * si.PASCAL\n", - " viscosity_lit = row['Viscosity (Pa*s)'] * si.PASCAL * si.SECOND\n", - " \n", - " # literature\n", - " state = State(saft, temperature=t, pressure=p, total_moles=si.MOL, density_initialization=row.Phase)\n", - " s = state.molar_entropy(Contributions.Residual)\n", - " results.append(\n", - " {\n", - " \"pressure\": p / si.MEGA / si.PASCAL,\n", - " \"s*_res/m\": s / si.RGAS / m,\n", - " \"viscosity\": viscosity_lit / (si.PASCAL * si.SECOND),\n", - " \"ln_viscosity_reduced\": np.log(viscosity_lit/ state.viscosity_reference()),\n", - " \"source\": \"literature\",\n", - " \"rel.dev.\": 0.0\n", - " }\n", - " )\n", - " \n", - " # individual parameters\n", - " viscosity = state.viscosity()\n", - " ln_viscosity_reduced = state.ln_viscosity_reduced()\n", - " results.append(\n", - " {\n", - " \"pressure\": p / si.MEGA / si.PASCAL,\n", - " \"s*_res/m\": s / si.RGAS / m,\n", - " \"viscosity\": viscosity / (si.PASCAL * si.SECOND),\n", - " \"ln_viscosity_reduced\": ln_viscosity_reduced,\n", - " \"source\": \"saft\",\n", - " \"rel.dev.\": (viscosity - viscosity_lit) / viscosity_lit * 100\n", - " }\n", - " )\n", - " \n", - " # homo GC\n", - " state = State(saft_gc, temperature=t, pressure=p, total_moles=si.MOL)\n", - " s = state.molar_entropy(Contributions.Residual)\n", - " viscosity = state.viscosity()\n", - " ln_viscosity_reduced = state.ln_viscosity_reduced()\n", - " results.append(\n", - " {\n", - " \"pressure\": p / si.MEGA / si.PASCAL,\n", - " \"s*_res/m\": s / si.RGAS / m_gc,\n", - " \"viscosity\": viscosity / (si.PASCAL * si.SECOND),\n", - " \"ln_viscosity_reduced\": ln_viscosity_reduced,\n", - " \"source\": \"homo-GC\",\n", - " \"rel.dev.\": (viscosity - viscosity_lit) / viscosity_lit * 100\n", - " }\n", - " )\n", - "\n", - "# gather everything in a data frame\n", - "data = pd.DataFrame(results)\n", - "data.head()" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(1, 2, figsize=(15, 4), gridspec_kw={'wspace': 0.35})\n", - "sns.scatterplot(data=data, x='s*_res/m', y='ln_viscosity_reduced', hue='source', ax=ax[0]);\n", - "ax[0].set_xlabel(r\"$\\frac{s_{res}}{R \\cdot m}$\", fontsize=22)\n", - "ax[0].set_ylabel(r\"$\\ln\\left(\\frac{\\eta}{\\eta^{CE}}\\right)$\", fontsize=22);\n", - "ax[0].legend(frameon=False)\n", - "\n", - "sns.lineplot(data=data, x='pressure', y='viscosity', hue='source', ax=ax[1]);\n", - "ax[1].set_xlabel(r\"$p$ / MPa\", fontsize=22)\n", - "ax[1].set_ylabel(r\"$\\eta$ / Pa*s\", fontsize=22);\n", - "ax[1].legend(frameon=False)\n", - "sns.despine()" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Viscosity hexane compared to NIST data at T = 450 K\n", - "MARD (individual): 0.81 %\n", - "MARD (homo-GC) : 3.70 %\n" - ] - } - ], - "source": [ - "# check mean absolute relative deviation in percent\n", - "mard = data.groupby('source')['rel.dev.'].apply(lambda x: np.mean(np.abs(x)))\n", - "print('Viscosity hexane compared to NIST data at T = 450 K')\n", - "print(f'MARD (individual): {mard.saft:.2f} %')\n", - "print(f'MARD (homo-GC) : {mard[\"homo-GC\"]:.2f} %')" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/pcsaft/PhaseDiagramBinary.ipynb b/examples/pcsaft/PhaseDiagramBinary.ipynb deleted file mode 100644 index 608c0a177..000000000 --- a/examples/pcsaft/PhaseDiagramBinary.ipynb +++ /dev/null @@ -1,430 +0,0 @@ -{ - "cells": [ - { - "cell_type": "code", - "execution_count": 1, - "metadata": {}, - "outputs": [], - "source": [ - "from feos.eos import *\n", - "from feos import *\n", - "\n", - "import si_units as si\n", - "import matplotlib.pyplot as plt\n", - "import numpy as np" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Ideal mixture" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "params = Parameters.from_json(['hexane', 'octane'], '../../parameters/pcsaft/gross2001.json')\n", - "saft = EquationOfState.pcsaft(params)\n", - "dia_p = PhaseDiagram.binary_vle(saft, 300*si.KELVIN)\n", - "dia_t = PhaseDiagram.binary_vle(saft, si.BAR)\n", - "\n", - "f, ax = plt.subplots(1,3,figsize=(20,5))\n", - "ax[0].plot(dia_p.liquid.molefracs[:,0], dia_p.liquid.pressure/si.BAR, '-k')\n", - "ax[0].plot(dia_p.vapor.molefracs[:,0], dia_p.vapor.pressure/si.BAR, '-k')\n", - "ax[0].set_xlim(0,1)\n", - "ax[0].set_xlabel('$x_1,y_1$')\n", - "ax[0].set_ylabel('$p$ / bar')\n", - "\n", - "ax[1].plot(dia_t.liquid.molefracs[:,0], dia_t.liquid.temperature/si.KELVIN, '-g')\n", - "ax[1].plot(dia_t.vapor.molefracs[:,0], dia_t.vapor.temperature/si.KELVIN, '-g')\n", - "ax[1].set_xlim(0,1)\n", - "ax[1].set_xlabel('$x_1,y_1$')\n", - "ax[1].set_ylabel('$T$ / K')\n", - "\n", - "ax[2].plot([0,1], [0,1], '--k')\n", - "ax[2].plot(dia_t.liquid.molefracs[:,0], dia_t.vapor.molefracs[:,0], '-g')\n", - "ax[2].plot(dia_p.liquid.molefracs[:,0], dia_p.vapor.molefracs[:,0], '-k')\n", - "ax[2].set_xlim(0,1)\n", - "ax[2].set_ylim(0,1)\n", - "ax[2].set_xlabel('$x_1$')\n", - "ax[2].set_ylabel('$y_1$');" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Azeotropic mixture" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "params = Parameters.from_multiple_json([(['acetone'], '../../parameters/pcsaft/gross2006.json'), (['hexane'], '../../parameters/pcsaft/gross2001.json')])\n", - "saft = EquationOfState.pcsaft(params)\n", - "dia_p = PhaseDiagram.binary_vle(saft, 300*si.KELVIN)\n", - "dia_t = PhaseDiagram.binary_vle(saft, 5*si.BAR)\n", - "\n", - "f, ax = plt.subplots(1,3,figsize=(20,5))\n", - "ax[0].plot(dia_p.liquid.molefracs[:,0], dia_p.liquid.pressure/si.BAR, '-k')\n", - "ax[0].plot(dia_p.vapor.molefracs[:,0], dia_p.vapor.pressure/si.BAR, '-k')\n", - "ax[0].set_xlim(0,1)\n", - "ax[0].set_xlabel('$x_1,y_1$')\n", - "ax[0].set_ylabel('$p$ / bar')\n", - "\n", - "ax[1].plot(dia_t.liquid.molefracs[:,0], dia_t.liquid.temperature/si.KELVIN, '-g')\n", - "ax[1].plot(dia_t.vapor.molefracs[:,0], dia_t.vapor.temperature/si.KELVIN, '-g')\n", - "ax[1].set_xlim(0,1)\n", - "ax[1].set_xlabel('$x_1,y_1$')\n", - "ax[1].set_ylabel('$T$ / K')\n", - "\n", - "ax[2].plot([0,1], [0,1], '--k')\n", - "ax[2].plot(dia_t.liquid.molefracs[:,0], dia_t.vapor.molefracs[:,0], '-g')\n", - "ax[2].plot(dia_p.liquid.molefracs[:,0], dia_p.vapor.molefracs[:,0], '-k')\n", - "ax[2].set_xlim(0,1)\n", - "ax[2].set_ylim(0,1)\n", - "ax[2].set_xlabel('$x_1$')\n", - "ax[2].set_ylabel('$y_1$');" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Supercritical mixture" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "params = Parameters.from_json(['carbon dioxide', 'hexane'], '../../parameters/pcsaft/gross2001.json')\n", - "saft = EquationOfState.pcsaft(params)\n", - "T_vec = [350*si.KELVIN, 450*si.KELVIN, 500*si.KELVIN]\n", - "c_vec = ['k', 'r', 'b']\n", - "dia_p = [PhaseDiagram.binary_vle(saft, T) for T in T_vec]\n", - "dia_t = PhaseDiagram.binary_vle(saft, 50*si.BAR)\n", - "\n", - "f, ax = plt.subplots(1,3,figsize=(20,5))\n", - "for d,c,T in zip(dia_p, c_vec, T_vec):\n", - " ax[0].plot(d.liquid.molefracs[:,0], d.liquid.pressure/si.BAR, color=c, label=f'{T}')\n", - " ax[0].plot(d.vapor.molefracs[:,0], d.vapor.pressure/si.BAR, color=c)\n", - "ax[0].set_xlim(0,1)\n", - "ax[0].set_xlabel('$x_1,y_1$')\n", - "ax[0].set_ylabel('$p$ / bar')\n", - "ax[0].legend()\n", - "\n", - "ax[1].plot(dia_t.liquid.molefracs[:,0], dia_t.liquid.temperature/si.KELVIN, '-g')\n", - "ax[1].plot(dia_t.vapor.molefracs[:,0], dia_t.vapor.temperature/si.KELVIN, '-g')\n", - "ax[1].set_xlim(0,1)\n", - "ax[1].set_xlabel('$x_1,y_1$')\n", - "ax[1].set_ylabel('$T$ / K')\n", - "\n", - "ax[2].plot([0,1], [0,1], '--k')\n", - "for d,c,T in zip(dia_p, c_vec, T_vec):\n", - " ax[2].plot(d.liquid.molefracs[:,0], d.vapor.molefracs[:,0], color=c, label=f'{T}')\n", - "ax[2].plot(dia_t.liquid.molefracs[:,0], dia_t.vapor.molefracs[:,0], '-g', label=f'{50*si.BAR}')\n", - "ax[2].set_xlim(0,1)\n", - "ax[2].set_ylim(0,1)\n", - "ax[2].set_xlabel('$x_1$')\n", - "ax[2].set_ylabel('$y_1$')\n", - "ax[2].legend();" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Liquid-liquid equilibrium" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "params = Parameters.from_multiple_json([(['water'], '../../parameters/pcsaft/gross2002.json'), (['octane'], '../../parameters/pcsaft/gross2001.json')])\n", - "\n", - "saft = EquationOfState.pcsaft(params)\n", - "dia_p = PhaseDiagram.lle(saft, 500*si.KELVIN, np.array([0.5, 0.5])*si.MOL, si.BAR, 5000*si.BAR)\n", - "dia_t = PhaseDiagram.lle(saft, si.BAR, np.array([0.5, 0.5])*si.MOL, 300*si.KELVIN, 364*si.KELVIN)\n", - "\n", - "f, ax = plt.subplots(1,3,figsize=(20,5))\n", - "ax[0].plot(dia_p.liquid.molefracs[:,0], dia_p.liquid.pressure/si.BAR, '-k')\n", - "ax[0].plot(dia_p.vapor.molefracs[:,0], dia_p.vapor.pressure/si.BAR, '-k')\n", - "ax[0].set_xlim(0,1)\n", - "ax[0].set_xlabel('$x_1,y_1$')\n", - "ax[0].set_ylabel('$p$ / bar')\n", - "\n", - "ax[1].plot(dia_t.liquid.molefracs[:,0], dia_t.liquid.temperature/si.KELVIN, '-g')\n", - "ax[1].plot(dia_t.vapor.molefracs[:,0], dia_t.vapor.temperature/si.KELVIN, '-g')\n", - "ax[1].set_xlim(0,1)\n", - "ax[1].set_xlabel('$x_1,y_1$')\n", - "ax[1].set_ylabel('$T$ / K')\n", - "\n", - "ax[2].plot([0,1], [0,1], '--k')\n", - "ax[2].plot(dia_t.liquid.molefracs[:,0], dia_t.vapor.molefracs[:,0], '-g')\n", - "ax[2].plot(dia_p.liquid.molefracs[:,0], dia_p.vapor.molefracs[:,0], '-k')\n", - "ax[2].set_xlim(0,1)\n", - "ax[2].set_ylim(0,1)\n", - "ax[2].set_xlabel('$x_1$')\n", - "ax[2].set_ylabel('$y_1$');" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Heteroazeotropic mixture" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "params = Parameters.from_multiple_json([(['acetone'], '../../parameters/pcsaft/gross2006.json'), (['water'], '../../parameters/pcsaft/gross2002.json')])\n", - "\n", - "saft = EquationOfState.pcsaft(params)\n", - "dia_p = PhaseDiagram.binary_vlle(saft, 450*si.KELVIN, (0.005, 0.9), 50*si.BAR, 25*si.BAR, 101)\n", - "dia_t = PhaseDiagram.binary_vlle(saft, si.BAR, (0.001, 0.99), 0*si.CELSIUS, 50*si.CELSIUS, 101)\n", - "\n", - "f, ax = plt.subplots(1,3,figsize=(20,5))\n", - "ax[0].plot(dia_p.vle.liquid.molefracs[:,0], dia_p.vle.liquid.pressure/si.BAR, '-k')\n", - "ax[0].plot(dia_p.vle.vapor.molefracs[:,0], dia_p.vle.vapor.pressure/si.BAR, '-k')\n", - "ax[0].plot(dia_p.lle.vapor.molefracs[:,0], dia_p.lle.vapor.pressure/si.BAR, '-k')\n", - "ax[0].plot(dia_p.lle.liquid.molefracs[:,0], dia_p.lle.liquid.pressure/si.BAR, '-k')\n", - "ax[0].set_xlim(0,1)\n", - "ax[0].set_xlabel('$x_1,y_1$')\n", - "ax[0].set_ylabel('$p$ / bar')\n", - "\n", - "ax[1].plot(dia_t.vle.liquid.molefracs[:,0], dia_t.vle.liquid.temperature/si.KELVIN, '-g')\n", - "ax[1].plot(dia_t.vle.vapor.molefracs[:,0], dia_t.vle.vapor.temperature/si.KELVIN, '-g')\n", - "ax[1].plot(dia_t.lle.liquid.molefracs[:,0], dia_t.lle.liquid.temperature/si.KELVIN, '-g')\n", - "ax[1].plot(dia_t.lle.vapor.molefracs[:,0], dia_t.lle.vapor.temperature/si.KELVIN, '-g')\n", - "ax[1].set_xlim(0,1)\n", - "ax[1].set_xlabel('$x_1,y_1$')\n", - "ax[1].set_ylabel('$T$ / K')\n", - "\n", - "ax[2].plot([0,1], [0,1], '--k')\n", - "ax[2].plot(dia_t.vle.liquid.molefracs[:,0], dia_t.vle.vapor.molefracs[:,0], '-g')\n", - "ax[2].plot(dia_p.vle.liquid.molefracs[:,0], dia_p.vle.vapor.molefracs[:,0], '-k')\n", - "ax[2].set_xlim(0,1)\n", - "ax[2].set_ylim(0,1)\n", - "ax[2].set_xlabel('$x_1$')\n", - "ax[2].set_ylabel('$y_1$');" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Two associating components" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "params = Parameters.from_json(['water', '1-butanol'], '../../parameters/pcsaft/gross2002.json')\n", - "\n", - "\n", - "saft = EquationOfState.pcsaft(params)\n", - "dia_p = PhaseDiagram.binary_vlle(saft, 350*si.KELVIN, (0.55, 0.98), si.BAR, 0.5*si.BAR, 101)\n", - "dia_t = PhaseDiagram.binary_vlle(saft, si.BAR, (0.5,0.995), 70*si.CELSIUS, 80*si.CELSIUS, 101)\n", - "\n", - "f, ax = plt.subplots(1,3,figsize=(20,5))\n", - "ax[0].plot(dia_p.vle.liquid.molefracs[:,0], dia_p.vle.liquid.pressure/si.BAR, '-k')\n", - "ax[0].plot(dia_p.vle.vapor.molefracs[:,0], dia_p.vle.vapor.pressure/si.BAR, '-k')\n", - "ax[0].plot(dia_p.lle.vapor.molefracs[:,0], dia_p.lle.vapor.pressure/si.BAR, '-k')\n", - "ax[0].plot(dia_p.lle.liquid.molefracs[:,0], dia_p.lle.liquid.pressure/si.BAR, '-k')\n", - "ax[0].set_xlim(0,1)\n", - "ax[0].set_xlabel('$x_1,y_1$')\n", - "ax[0].set_ylabel('$p$ / bar')\n", - "\n", - "ax[1].plot(dia_t.vle.liquid.molefracs[:,0], dia_t.vle.liquid.temperature/si.KELVIN, '-g')\n", - "ax[1].plot(dia_t.vle.vapor.molefracs[:,0], dia_t.vle.vapor.temperature/si.KELVIN, '-g')\n", - "ax[1].plot(dia_t.lle.liquid.molefracs[:,0], dia_t.lle.liquid.temperature/si.KELVIN, '-g')\n", - "ax[1].plot(dia_t.lle.vapor.molefracs[:,0], dia_t.lle.vapor.temperature/si.KELVIN, '-g')\n", - "ax[1].set_xlim(0,1)\n", - "ax[1].set_xlabel('$x_1,y_1$')\n", - "ax[1].set_ylabel('$T$ / K')\n", - "\n", - "ax[2].plot([0,1], [0,1], '--k')\n", - "ax[2].plot(dia_t.vle.liquid.molefracs[:,0], dia_t.vle.vapor.molefracs[:,0], '-g')\n", - "ax[2].plot(dia_p.vle.liquid.molefracs[:,0], dia_p.vle.vapor.molefracs[:,0], '-k')\n", - "ax[2].set_xlim(0,1)\n", - "ax[2].set_ylim(0,1)\n", - "ax[2].set_xlabel('$x_1$')\n", - "ax[2].set_ylabel('$y_1$');" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Binary interaction parameters" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots(1,3,figsize=(20,5))\n", - "\n", - "for binary_path,ls in zip([None, \"../../parameters/pcsaft/rehner2023_binary.json\"], [':', '-']):\n", - " params = Parameters.from_json([\"2-butanone\", \"ethanol\"], \"../../parameters/pcsaft/esper2023.json\", binary_path)\n", - " eos = EquationOfState.pcsaft(params)\n", - " dia_p = PhaseDiagram.binary_vle(eos, 300*si.KELVIN)\n", - " dia_t = PhaseDiagram.binary_vle(eos, 1.013*si.BAR)\n", - "\n", - " ax[0].plot(dia_p.liquid.molefracs[:,0], dia_p.liquid.pressure/si.BAR, 'k', ls=ls)\n", - " ax[0].plot(dia_p.vapor.molefracs[:,0], dia_p.vapor.pressure/si.BAR, 'k', ls=ls)\n", - " ax[0].set_xlim(0,1)\n", - " ax[0].set_xlabel('$x_1,y_1$')\n", - " ax[0].set_ylabel('$p$ / bar')\n", - "\n", - " ax[1].plot(dia_t.liquid.molefracs[:,0], dia_t.liquid.temperature/si.KELVIN, 'g', ls=ls)\n", - " ax[1].plot(dia_t.vapor.molefracs[:,0], dia_t.vapor.temperature/si.KELVIN, 'g', ls=ls)\n", - " ax[1].set_xlim(0,1)\n", - " ax[1].set_xlabel('$x_1,y_1$')\n", - " ax[1].set_ylabel('$T$ / K')\n", - "\n", - " ax[2].plot([0,1], [0,1], '--k')\n", - " ax[2].plot(dia_t.liquid.molefracs[:,0], dia_t.vapor.molefracs[:,0], 'g', ls=ls)\n", - " ax[2].plot(dia_p.liquid.molefracs[:,0], dia_p.vapor.molefracs[:,0], 'k', ls=ls)\n", - " ax[2].set_xlim(0,1)\n", - " ax[2].set_ylim(0,1)\n", - " ax[2].set_xlabel('$x_1$')\n", - " ax[2].set_ylabel('$y_1$');" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 4 -} diff --git a/examples/pcsaft/adsorption_isotherms.ipynb b/examples/pcsaft/adsorption_isotherms.ipynb deleted file mode 100644 index 3e113f944..000000000 --- a/examples/pcsaft/adsorption_isotherms.ipynb +++ /dev/null @@ -1,625 +0,0 @@ -{ - "cells": [ - { - "cell_type": "code", - "execution_count": 1, - "metadata": {}, - "outputs": [], - "source": [ - "from feos.dft import *\n", - "from feos import StateVec, PhaseEquilibrium, State\n", - "from feos.parameters import Parameters\n", - "\n", - "import matplotlib.pyplot as plt\n", - "import si_units as si\n", - "import numpy as np\n", - "from concurrent.futures import ProcessPoolExecutor\n", - "\n", - "# the following is only needed if you processpool executor\n", - "# does not start multiple processes\n", - "#import psutil\n", - "#p = psutil.Process()\n", - "#p.cpu_affinity(list(range(psutil.cpu_count())))" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": {}, - "outputs": [], - "source": [ - "params = Parameters.from_json([\"methanol\"], \"../../parameters/pcsaft/rehner2020.json\")\n", - "func = HelmholtzEnergyFunctional.pcsaft(params)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Phase equilibria in pores" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "CPU times: user 6.55 s, sys: 72.1 ms, total: 6.63 s\n", - "Wall time: 6.62 s\n" - ] - } - ], - "source": [ - "%%time\n", - "potential = ExternalPotential.LJ93(3.0, 100.0, 0.08)\n", - "pore = Pore1D(Geometry.Cartesian, 20*si.ANGSTROM, potential)\n", - "solver = DFTSolver().newton()\n", - "\n", - "pmin = 0.2*si.BAR\n", - "pmax = 2.5*si.BAR\n", - "pressure_vec = si.linspace(pmin, pmax, 151)\n", - "pressures = np.array([0.3, 0.6, 1.0, 1.2, 1.5, 2.0]) * si.BAR\n", - "\n", - "isotherm1 = Adsorption1D.adsorption_isotherm(func, 350*si.KELVIN, pressure_vec, pore, solver=solver)\n", - "points1 = Adsorption1D.adsorption_isotherm(func, 350*si.KELVIN, pressures, pore, solver=solver)\n", - "\n", - "isotherm2 = Adsorption1D.desorption_isotherm(func, 350*si.KELVIN, pressure_vec, pore, solver=solver)\n", - "points2 = Adsorption1D.desorption_isotherm(func, 350*si.KELVIN, pressures, pore, solver=solver)\n", - "\n", - "isotherm3 = Adsorption1D.equilibrium_isotherm(func, 350*si.KELVIN, pressure_vec, pore, solver=solver)\n", - "points3 = Adsorption1D.equilibrium_isotherm(func, 350*si.KELVIN, pressures, pore, solver=solver)\n", - "\n", - "equilibrium = Adsorption1D.phase_equilibrium(func, 350*si.KELVIN, pmin, pmax, pore, solver=solver)" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "plt.plot(isotherm1.pressure/si.BAR, isotherm1.total_adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2))\n", - "plt.plot(isotherm2.pressure/si.BAR, isotherm2.total_adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2))\n", - "plt.plot(isotherm3.pressure/si.BAR, isotherm3.total_adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2))\n", - "plt.plot(equilibrium.pressure/si.BAR, equilibrium.total_adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2), 'xk')\n", - "plt.gca().set_prop_cycle(None)\n", - "plt.plot(points1.pressure/si.BAR, points1.total_adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2), 'x')\n", - "plt.plot(points2.pressure/si.BAR, points2.total_adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2), 'x')\n", - "plt.plot(points3.pressure/si.BAR, points3.total_adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2), 'x')\n", - "plt.xlabel('p / bar')\n", - "plt.ylabel('N / 1e-6 mol/m²')\n", - "plt.legend(['adsorption path', 'desorption path', 'equilibrium path', 'phase equilibrium']);" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots(1,2,figsize=(15,5))\n", - "ax[0].plot(isotherm1.pressure/si.BAR, isotherm1.grand_potential/(si.MILLI*si.NEWTON*si.ANGSTROM**2/si.METER))\n", - "ax[0].plot(isotherm2.pressure/si.BAR, isotherm2.grand_potential/(si.MILLI*si.NEWTON*si.ANGSTROM**2/si.METER))\n", - "ax[0].plot(isotherm3.pressure/si.BAR, isotherm3.grand_potential/(si.MILLI*si.NEWTON*si.ANGSTROM**2/si.METER))\n", - "ax[0].plot(equilibrium.pressure/si.BAR, equilibrium.grand_potential/(si.MILLI*si.NEWTON*si.ANGSTROM**2/si.METER), 'xk')\n", - "ax[0].set_xlabel('p / bar')\n", - "ax[0].set_ylabel('Ω / mN/m')\n", - "ax[0].legend(['adsorption path', 'desorption path', 'equilibrium path', 'phase equilibrium']);\n", - "\n", - "ax[1].plot(StateVec([p.bulk for p in isotherm1.profiles]).density/(si.KILO*si.MOL/si.METER**3), isotherm1.grand_potential/(si.MILLI*si.NEWTON*si.ANGSTROM**2/si.METER))\n", - "ax[1].plot(StateVec([p.bulk for p in isotherm2.profiles]).density/(si.KILO*si.MOL/si.METER**3), isotherm2.grand_potential/(si.MILLI*si.NEWTON*si.ANGSTROM**2/si.METER))\n", - "ax[1].plot(StateVec([p.bulk for p in isotherm3.profiles]).density/(si.KILO*si.MOL/si.METER**3), isotherm3.grand_potential/(si.MILLI*si.NEWTON*si.ANGSTROM**2/si.METER))\n", - "ax[1].plot(StateVec([p.bulk for p in equilibrium.profiles]).density/(si.KILO*si.MOL/si.METER**3), equilibrium.grand_potential/(si.MILLI*si.NEWTON*si.ANGSTROM**2/si.METER), 'xk')\n", - "ax[1].set_xlim(0,0.1)\n", - "ax[1].set_xlabel('ρ / kmol/m³')\n", - "ax[1].set_ylabel('U / mN/m')\n", - "ax[1].legend(['adsorption path', 'desorption path', 'equilibrium path', 'phase equilibrium']);" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Enthalpy of adsorption" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "plt.plot(isotherm3.pressure/si.BAR, isotherm3.enthalpy_of_adsorption/(si.KILO*si.JOULE/si.MOL))\n", - "\n", - "vle = PhaseEquilibrium.pure(func, 350*si.KELVIN)\n", - "#h_vap = (vle.vapor.molar_enthalpy() - vle.liquid.molar_enthalpy())/(si.KILO*si.JOULE/si.MOL)\n", - "#plt.plot([pmin/si.BAR, pmax/si.BAR],[h_vap,h_vap])\n", - "plt.xlabel('p / bar')\n", - "plt.ylabel('Δh_ads,Δh_vap / kJ/mol')\n", - "plt.legend(['Δh_ads', 'Δh_vap']);" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Variation of pore width" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "CPU times: user 6.2 ms, sys: 19.9 ms, total: 26.1 ms\n", - "Wall time: 10.4 s\n" - ] - } - ], - "source": [ - "%%time\n", - "def plt_iso(L):\n", - " isotherm = Adsorption1D.equilibrium_isotherm(func, 350*si.KELVIN, si.linspace(0.5*si.BAR, 1.6*si.BAR, 100), Pore1D(Geometry.Cartesian, L, potential), solver=DFTSolver().newton())\n", - " return isotherm.pressure, isotherm.total_adsorption\n", - "\n", - "L_vec = si.linspace(10*si.ANGSTROM,40*si.ANGSTROM,7)\n", - "with ProcessPoolExecutor(1) as ex:\n", - " isotherms = [i for i in ex.map(plt_iso, L_vec)]" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots(figsize=(20,10))\n", - "for p,a in isotherms:\n", - " ax.plot(p/si.BAR, a/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2))\n", - "plt.xlabel('p / bar')\n", - "plt.ylabel('N / 1e-6 mol/m²')\n", - "plt.legend([f'{w/si.ANGSTROM:g} A' for w in L_vec])\n", - "plt.xlim(1,1.6);" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Variation of $\\varepsilon$-parameter" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "CPU times: user 36.2 ms, sys: 271 ms, total: 307 ms\n", - "Wall time: 2 s\n" - ] - } - ], - "source": [ - "%%time\n", - "def plt_iso(epsilon):\n", - " potential = ExternalPotential.LJ93(3.0, epsilon, 0.08)\n", - " isotherm = Adsorption1D.equilibrium_isotherm(func, 350*si.KELVIN, si.linspace(0.5*si.BAR, 1.6*si.BAR, 100), Pore1D(Geometry.Cartesian, 20*si.ANGSTROM, potential), solver=DFTSolver().newton())\n", - " return isotherm.pressure, isotherm.total_adsorption\n", - "\n", - "eps_vec = np.linspace(70,150,9)\n", - "with ProcessPoolExecutor() as ex:\n", - " isotherms = [i for i in ex.map(plt_iso, eps_vec)]" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots(figsize=(20,10))\n", - "for p,a in isotherms:\n", - " ax.plot(p/si.BAR, a/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2))\n", - "plt.xlabel('p / bar')\n", - "plt.ylabel('N / 1e-6 mol/m²')\n", - "plt.legend([f'{e:g}' for e in eps_vec])\n", - "plt.xlim(1,1.6);" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Variation of temperature" - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "CPU times: user 38.6 ms, sys: 303 ms, total: 341 ms\n", - "Wall time: 10.2 s\n" - ] - } - ], - "source": [ - "%%time\n", - "def plt_iso(T):\n", - " potential = ExternalPotential.LJ93(3.0, 150., 0.08)\n", - " psat = PhaseEquilibrium.pure(func, T).liquid.pressure()\n", - " pmin = psat / 100\n", - " pmax = psat * 2\n", - " isotherm = Adsorption1D.equilibrium_isotherm(func, T, si.linspace(pmin, pmax, 200), Pore1D(Geometry.Cartesian, 20*si.ANGSTROM, potential), solver=DFTSolver().newton())\n", - " return isotherm.pressure, isotherm.total_adsorption\n", - "\n", - "T_vec = si.linspace(290*si.KELVIN,430*si.KELVIN,15)\n", - "with ProcessPoolExecutor() as ex:\n", - " isotherms = [i for i in ex.map(plt_iso, T_vec)]" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots(figsize=(20,10))\n", - "for p,a in isotherms:\n", - " ax.semilogx(p/si.BAR, a/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2))\n", - "plt.xlabel('p / bar')\n", - "plt.ylabel('N / 1e-6 mol/m²')\n", - "plt.legend([f\"{T/si.KELVIN:g} K\" for T in T_vec])\n", - "plt.xlim(0.05,100);" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Binary mixture" - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "metadata": {}, - "outputs": [], - "source": [ - "mix = HelmholtzEnergyFunctional.pcsaft(Parameters.from_json([\"methanol\", \"ethanol\"], \"../../parameters/pcsaft/rehner2020.json\"))\n", - "methanol = HelmholtzEnergyFunctional.pcsaft(Parameters.from_json([\"methanol\"], \"../../parameters/pcsaft/rehner2020.json\"))\n", - "ethanol = HelmholtzEnergyFunctional.pcsaft(Parameters.from_json([\"ethanol\"], \"../../parameters/pcsaft/rehner2020.json\"))" - ] - }, - { - "cell_type": "code", - "execution_count": 14, - "metadata": {}, - "outputs": [], - "source": [ - "potential = ExternalPotential.LJ93(3.0, 100.0, 0.08)\n", - "pmin = 0.2*si.BAR\n", - "pmax = 1.8*si.BAR\n", - "solver = DFTSolver().newton(tol=1e-10)\n", - "\n", - "isotherm_ethanol = Adsorption1D.equilibrium_isotherm(ethanol, 350*si.KELVIN, si.linspace(pmin, pmax, 51), Pore1D(Geometry.Cartesian, 15*si.ANGSTROM, potential), solver=solver)\n", - "isotherm_methanol = Adsorption1D.equilibrium_isotherm(methanol, 350*si.KELVIN, si.linspace(pmin, pmax, 51), Pore1D(Geometry.Cartesian, 15*si.ANGSTROM, potential), solver=solver)\n", - "isotherm_mix = Adsorption1D.equilibrium_isotherm(mix, 350*si.KELVIN, si.linspace(pmin, pmax, 51), Pore1D(Geometry.Cartesian, 15*si.ANGSTROM, potential), np.array([0.5, 0.5]), solver=solver)" - ] - }, - { - "cell_type": "code", - "execution_count": 15, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots(1,2,figsize=(15,5))\n", - "ax[0].plot(isotherm_methanol.pressure/si.BAR, isotherm_methanol.total_adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2))\n", - "ax[0].plot(isotherm_mix.pressure/si.BAR, isotherm_mix.total_adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2))\n", - "ax[0].plot(isotherm_ethanol.pressure/si.BAR, isotherm_ethanol.total_adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2))\n", - "ax[0].legend(['$x_{EtOH}=0.0$', '$x_{EtOH}=0.5$', '$x_{EtOH}=1.0$']);\n", - "\n", - "ax[1].plot(isotherm_mix.pressure/si.BAR, (isotherm_mix.adsorption/(si.MICRO*si.MOL*si.ANGSTROM**2/si.METER**2)).T)\n", - "ax[1].legend(['methanol', 'ethanol']);" - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "metadata": {}, - "outputs": [], - "source": [ - "equilibrium = Adsorption1D.phase_equilibrium(mix, 350*si.KELVIN, pmin, pmax, Pore1D(Geometry.Cartesian, 15*si.ANGSTROM, potential), np.array([0.5, 0.5]), solver=solver)" - ] - }, - { - "cell_type": "code", - "execution_count": 17, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "(0.0, 17.0)" - ] - }, - "execution_count": 17, - "metadata": {}, - "output_type": "execute_result" - }, - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "plt.plot(equilibrium.profiles[1].r/si.ANGSTROM, (equilibrium.profiles[1].density/(si.KILO*si.MOL/si.METER**3)).T)\n", - "plt.legend([\"Methanol\", \"Ethanol\"])\n", - "plt.xlim(0,10)\n", - "plt.ylim(0,17)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# External potentials" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### Lennard-Jones 9-3" - ] - }, - { - "cell_type": "code", - "execution_count": 18, - "metadata": {}, - "outputs": [], - "source": [ - "rho = 3.0e4\n", - "potential = ExternalPotential.LJ93(3.0, 90, 0.08)\n", - "s = State(func, 350*si.KELVIN, density=rho*si.MOL/si.METER**3)\n", - "profile = Pore1D(Geometry.Cartesian, 20*si.ANGSTROM, potential).initialize(s).solve(solver=solver)" - ] - }, - { - "cell_type": "code", - "execution_count": 19, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "[]" - ] - }, - "execution_count": 19, - "metadata": {}, - "output_type": "execute_result" - }, - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "plt.plot(profile.r / si.ANGSTROM, (profile.density / (si.MOL / si.METER**3))[0] / 5000)\n", - "plt.plot(profile.r / si.ANGSTROM, profile.external_potential[0])" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### Double Well" - ] - }, - { - "cell_type": "code", - "execution_count": 20, - "metadata": {}, - "outputs": [], - "source": [ - "potential = ExternalPotential.DoubleWell(3.0, 25, 150, 0.08)\n", - "s = State(func, 350*si.KELVIN, density=rho*si.MOL/si.METER**3)\n", - "profile = Pore1D(Geometry.Cartesian, 40*si.ANGSTROM, potential).initialize(s).solve(solver=solver)" - ] - }, - { - "cell_type": "code", - "execution_count": 21, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "[]" - ] - }, - "execution_count": 21, - "metadata": {}, - "output_type": "execute_result" - }, - { - "data": { - "image/png": "iVBORw0KGgoAAAANSUhEUgAAAh8AAAGdCAYAAACyzRGfAAAAOnRFWHRTb2Z0d2FyZQBNYXRwbG90bGliIHZlcnNpb24zLjEwLjMsIGh0dHBzOi8vbWF0cGxvdGxpYi5vcmcvZiW1igAAAAlwSFlzAAAPYQAAD2EBqD+naQAAOK9JREFUeJzt3Xl8VPW9//H3zCSZhCwTEkJCIGEVgrKoyJK6FAVF2nq1RKt2Q39c+7A3cit0pfdWS3+9l/60v2ptsfbXa/X23qIt9xZbbKvXosTahkWUCiph1QDZ2DLZJ5OZ8/vjZIYMBMgyOYfkvJ6Px3nMcpb5Oj3NvPl8v+d7XIZhGAIAALCI2+4GAAAAZyF8AAAASxE+AACApQgfAADAUoQPAABgKcIHAACwFOEDAABYivABAAAslWB3A84UDodVVVWl9PR0uVwuu5sDAAB6wDAMNTY2Kj8/X273+WsbF134qKqqUkFBgd3NAAAAfXD48GGNGTPmvNtcdOEjPT1dktn4jIwMm1sDAAB6oqGhQQUFBdHf8fO56MJHpKslIyOD8AEAwCDTkyETDDgFAACWInwAAABLET4AAIClCB8AAMBShA8AAGApwgcAALAU4QMAAFiK8AEAACxF+AAAAJbqVfj49re/LZfLFbMUFRVF17e1tam0tFTZ2dlKS0tTSUmJamtr495oAAAwePW68nHZZZepuro6urzxxhvRdStWrNDGjRu1fv16lZWVqaqqSkuWLIlrgwEAwODW63u7JCQkKC8v76z3/X6/nn76aa1bt0433HCDJOmZZ57R1KlTtWXLFs2bN6//rQUAAINer8PHvn37lJ+fr+TkZBUXF2vNmjUqLCzUjh07FAwGtXDhwui2RUVFKiwsVHl5+TnDRyAQUCAQiL5uaGjow38GAKDP/Eel7f8mBVvtbgmskjpCuu4rtn18r8LH3Llz9eyzz2rKlCmqrq7W6tWrde2112r37t2qqalRUlKSMjMzY/bJzc1VTU3NOY+5Zs0arV69uk+NBwDEwZYnpfIf290KWCn7ksETPhYvXhx9PmPGDM2dO1djx47Vr3/9a6WkpPSpAatWrdLKlSujrxsaGlRQUNCnYwEA+qDNbz6OvUYqnGtvW2CNYdm2fnyvu126yszM1OTJk7V//37deOONam9vV319fUz1o7a2ttsxIhFer1der7c/zQAA9IdhmI+XLJSuWWFvW+AI/Zrno6mpSQcOHNCoUaM0a9YsJSYmatOmTdH1FRUVqqysVHFxcb8bCgAYIEbIfHR57G0HHKNXlY+vfOUruuWWWzR27FhVVVXp4Ycflsfj0d133y2fz6dly5Zp5cqVysrKUkZGhpYvX67i4mKudAGAi1k4Ej6YdxLW6FX4OHLkiO6++26dOHFCOTk5uuaaa7Rlyxbl5ORIkh577DG53W6VlJQoEAho0aJFevLJJwek4QCAOIlUPtxUPmCNXoWP559//rzrk5OTtXbtWq1du7ZfjQIAWMgIm490u8Ai1NgAwOmi3S4ue9sBxyB8AIDTRSofdLvAIoQPAHC6MFe7wFqEDwBwOiofsBjhAwCczuBSW1iLMw0AnI5uF1iM8AEATsc8H7AY4QMAnC5ybxcutYVFCB8A4HR0u8BihA8AcDq6XWAxwgcAOB2VD1iM8AEAThe9tws/CbAGZxoAOB3dLrAY4QMAnC5M5QPW4kwDAKej2wUW40wDAKej2wUWI3wAgNNxtQssRvgAAKej8gGLET4AwOkY8wGLcaYBgNNFr3ah8gFrED4AwOmi3S78JMAanGkA4HQMOIXFCB8A4HSM+YDFONMAwOm42gUWI3wAgNPR7QKLET4AwOnodoHFONMAwOki4YOrXWARzjQAcDq6XWAxwgcAOB0DTmExwgcAOF208sFPAqzBmQYATmcwvTqsRfgAACczDEmG+ZxuF1iE8AEAThbpcpHodoFlONMAwMkiXS4S4QOW4UwDACczulQ+6HaBRQgfAOBkMd0uhA9Yg/ABAE5mMOYD1uNMAwAn6zrmg24XWITwAQBOFu464JTwAWsQPgDAyWK6XVz2tQOOQvgAACfrOrU64QMWIXwAgJMxtTpsQPgAACfjjrawAeEDAJyMO9rCBpxtAOBkdLvABoQPAHCySPhw83MA63C2AYCT0e0CG3C2AYCTRQac0u0CCxE+AMDJwlztAusRPgDAyRhwChsQPgDAyQzGfMB6nG0A4GRhrnaB9fp1tn3ve9+Ty+XSgw8+GH2vra1NpaWlys7OVlpamkpKSlRbW9vfdgIABgIDTmGDPoeP7du366c//almzJgR8/6KFSu0ceNGrV+/XmVlZaqqqtKSJUv63VAAwACIzvNB+IB1+hQ+mpqa9JnPfEY/+9nPNHz48Oj7fr9fTz/9tH7wgx/ohhtu0KxZs/TMM8/or3/9q7Zs2RK3RgMA4oR5PmCDPp1tpaWl+vjHP66FCxfGvL9jxw4Fg8GY94uKilRYWKjy8vJujxUIBNTQ0BCzAAAsQrcLbJDQ2x2ef/55vfXWW9q+fftZ62pqapSUlKTMzMyY93Nzc1VTU9Pt8dasWaPVq1f3thkAgHhgng/YoFeVj8OHD+tLX/qSfvnLXyo5OTkuDVi1apX8fn90OXz4cFyOCwDogeg8H3S7wDq9Ott27Nihuro6XXnllUpISFBCQoLKysr0xBNPKCEhQbm5uWpvb1d9fX3MfrW1tcrLy+v2mF6vVxkZGTELAMAiVD5gg151uyxYsEC7du2Kee/ee+9VUVGRvv71r6ugoECJiYnatGmTSkpKJEkVFRWqrKxUcXFx/FoNAIgPxnzABr0KH+np6Zo2bVrMe6mpqcrOzo6+v2zZMq1cuVJZWVnKyMjQ8uXLVVxcrHnz5sWv1QCA+KDyARv0esDphTz22GNyu90qKSlRIBDQokWL9OSTT8b7YwAA8UDlAzbod/jYvHlzzOvk5GStXbtWa9eu7e+hAQADjcoHbMDwZgBwMq52gQ042wDAyaKVj7j3wgPnRPgAACcz6HaB9QgfAOBk4Q7zkQGnsBDhAwCcjAGnsAHhAwCcjAGnsAFnGwA4GZUP2IDwAQBOxiRjsAHhAwCcjMoHbED4AAAno/IBGxA+AMDJopUPfg5gHc42AHCy6NUuVD5gHcIHADgZYz5gA8IHADgZYz5gA8IHADgZN5aDDQgfAOBk3FgONiB8AICTRSofTK8OC3G2AYCTRa52ofIBCxE+AMDJwgw4hfUIHwDgZIz5gA0IHwDgZOEO85HKByxE+AAAJ2N6ddiAsw0AnIzp1WEDwgcAOBnTq8MGhA8AcDKmV4cNCB8A4GRUPmADwgcAOJnBvV1gPcIHADgZ06vDBpxtAOBkTK8OGxA+AMDJmF4dNiB8AICTMb06bED4AAAno/IBGxA+AMDJqHzABoQPAHCycGR6dX4OYB3ONgBwMiofsAHhAwCcjDEfsAHhAwCcLNxhPlL5gIUIHwDgZNxYDjYgfACAk0UGnLr5OYB1ONsAwMm4sRxsQPgAACdjwClsQPgAACfjUlvYgPABAE5G5QM2IHwAgJNR+YANCB8A4GRMrw4bcLYBgJNR+YANCB8A4GSM+YANCB8A4GRUPmADwgcAOFmYScZgPcIHADhZmMoHrEf4AAAni97VlsoHrNOr8PGTn/xEM2bMUEZGhjIyMlRcXKw//vGP0fVtbW0qLS1Vdna20tLSVFJSotra2rg3GgAQJ4QP2KBX4WPMmDH63ve+px07dujNN9/UDTfcoFtvvVXvvvuuJGnFihXauHGj1q9fr7KyMlVVVWnJkiUD0nAAQBwQPmADl2EYRn8OkJWVpUcffVS33367cnJytG7dOt1+++2SpD179mjq1KkqLy/XvHnzenS8hoYG+Xw++f1+ZWRk9KdpAIDzCYel7ww3n3/tkDQsy972YFDrze93n8d8hEIhPf/882publZxcbF27NihYDCohQsXRrcpKipSYWGhysvLz3mcQCCghoaGmAUAYIFI1UNiwCks1evwsWvXLqWlpcnr9er+++/Xhg0bdOmll6qmpkZJSUnKzMyM2T43N1c1NTXnPN6aNWvk8/miS0FBQa//IwAAfRATPuh2gXV6HT6mTJminTt3auvWrfriF7+opUuX6r333utzA1atWiW/3x9dDh8+3OdjAQB6gfABm/T6bEtKStKkSZMkSbNmzdL27dv1wx/+UHfeeafa29tVX18fU/2ora1VXl7eOY/n9Xrl9Xp733IAQP8QPmCTfs/zEQ6HFQgENGvWLCUmJmrTpk3RdRUVFaqsrFRxcXF/PwYAEG+RCcYk7moLS/Uq6q5atUqLFy9WYWGhGhsbtW7dOm3evFkvv/yyfD6fli1bppUrVyorK0sZGRlavny5iouLe3ylCwDAQpHKh8sjuVz2tgWO0qvwUVdXp89//vOqrq6Wz+fTjBkz9PLLL+vGG2+UJD322GNyu90qKSlRIBDQokWL9OSTTw5IwwEA/cQcH7BJv+f5iDfm+QAAi5z6QPrhTCkxVfqnKrtbg0HOknk+AACDHHe0hU0IHwDgVNFuFyYYg7UIHwDgVIz5gE0IHwDgVIQP2ITwAQBORfiATQgfAOBU0QGnjPmAtQgfAOBUVD5gE8IHADgV4QM2IXwAgFNxqS1sQvgAAKdizAdsQvgAAKei2wU2IXwAgFMxvTpsQvgAAKei8gGbED4AwKkYcAqbED4AwKnodoFNCB8A4FR0u8AmhA8AcCrCB2xC+AAAp2LMB2xC+AAAp2LMB2xC+AAAp6LbBTYhfACAUxE+YBPCBwA4VSR8uBjzAWsRPgDAqbixHGxC+AAApzIYcAp7ED4AwKkY8wGbED4AwKkIH7AJ4QMAnIpJxmATwgcAOBWTjMEmhA8AcCoqH7AJ4QMAnCoUNB/difa2A45D+AAApwp3hg8P3S6wFuEDAJwqFOl2ofIBaxE+AMCpopUPwgesRfgAAKeKjvmg2wXWInwAgFNFrnah8gGLET4AwKm42gU2IXwAgFMx5gM2IXwAgFOFuLcL7EH4AACnovIBmxA+AMCpGPMBmxA+AMCpmOEUNiF8AIBTMcMpbEL4AACnYswHbEL4AACnYswHbEL4AACnis5wypgPWIvwAQBOReUDNiF8AIBTMeYDNiF8AIBTMcMpbEL4AACnovIBmxA+AMCpGPMBmxA+AMCJDEMyQuZzKh+wWK/Cx5o1azR79mylp6dr5MiRuu2221RRURGzTVtbm0pLS5Wdna20tDSVlJSotrY2ro0GAPRTpOohMeYDlutV+CgrK1Npaam2bNmiV155RcFgUDfddJOam5uj26xYsUIbN27U+vXrVVZWpqqqKi1ZsiTuDQcA9EO4S/ig8gGLuQzDMPq687FjxzRy5EiVlZXpuuuuk9/vV05OjtatW6fbb79dkrRnzx5NnTpV5eXlmjdv3gWP2dDQIJ/PJ7/fr4yMjL42DQBwPq310v8Zaz7/52NSQpKtzcHg15vf736N+fD7/ZKkrKwsSdKOHTsUDAa1cOHC6DZFRUUqLCxUeXl5t8cIBAJqaGiIWQAAAywyu6lE5QOW63P4CIfDevDBB3X11Vdr2rRpkqSamholJSUpMzMzZtvc3FzV1NR0e5w1a9bI5/NFl4KCgr42CQDQU5ExHy6P5HLZ2xY4Tp/DR2lpqXbv3q3nn3++Xw1YtWqV/H5/dDl8+HC/jgcA6AHm+ICN+jTE+YEHHtCLL76o119/XWPGjIm+n5eXp/b2dtXX18dUP2pra5WXl9ftsbxer7xeb1+aAQDoK+b4gI16VfkwDEMPPPCANmzYoFdffVXjx4+PWT9r1iwlJiZq06ZN0fcqKipUWVmp4uLi+LQYANB/3NEWNurVWVdaWqp169bpt7/9rdLT06PjOHw+n1JSUuTz+bRs2TKtXLlSWVlZysjI0PLly1VcXNyjK10AABah8gEb9Sp8/OQnP5EkzZ8/P+b9Z555Rvfcc48k6bHHHpPb7VZJSYkCgYAWLVqkJ598Mi6NBQDECWM+YKNehY+eTAmSnJystWvXau3atX1uFABggHFHW9iIe7sAgBNR+YCNCB8A4EShdvPRw8ymsB7hAwCcKETlA/YhfACAE0UrH8yzBOsRPgDAiToC5iPdLrAB4QMAnIhuF9iI8AEAThTpdkmg2wXWI3wAgBOFIt0uVD5gPcIHADhRtNuFMR+wHuEDAJwoOuCUbhdYj/ABAE7EgFPYiPABAE7EgFPYiPABAE4UYp4P2IfwAQBORLcLbET4AAAnYnp12IjwAQBO1ME8H7AP4QMAnIh5PmAjwgcAOBFXu8BGhA8AcKLomA+6XWA9wgcAOFE0fNDtAusRPgDAibjaBTYifACAE3XQ7QL7ED4AwInodoGNCB8A4ETRq10IH7Ae4QMAnIjKB2xE+AAAJyJ8wEaEDwBwImY4hY0IHwDgRNF7uxA+YD3CBwA4USR8JCTb2w44EuEDAJyoo8185N4usAHhAwCcxjCkEJUP2IfwAQBOE+lykah8wBaEDwBwmkiXiyQlptjXDjgW4QMAnCZS+XC5JXeCvW2BIxE+AMBpooNNkyWXy962wJEIHwDgNNHLbBnvAXsQPgDAabpWPgAbED4AwGmofMBmhA8AcBoqH7AZ4QMAnIbKB2xG+AAAp6HyAZsRPgDAabivC2xG+AAAp+GOtrAZ4QMAnIbKB2xG+AAAp2HMB2xG+AAAp6HyAZsRPgDAaRjzAZsRPgDAaeh2gc0IHwDgNEwyBpsRPgDAaYIt5mNiir3tgGMRPgDAaYKt5mPiMHvbAccifACA0xA+YLNeh4/XX39dt9xyi/Lz8+VyufTCCy/ErDcMQw899JBGjRqllJQULVy4UPv27YtXewEA53D4ZIt+9vpBbf/g5Pk3bG82HwkfsEmvw0dzc7NmzpyptWvXdrv+kUce0RNPPKGnnnpKW7duVWpqqhYtWqS2trZ+NxYA0L39dY362A//rH/5w/u646ly/c+7NefeOFr5YMwH7JHQ2x0WL16sxYsXd7vOMAw9/vjj+ud//mfdeuutkqRf/OIXys3N1QsvvKC77rqrf60FAJwlHDa04ld/U2OgI/rev/7hfS2YmiuP23X2DtEBp1Q+YI+4jvk4dOiQampqtHDhwuh7Pp9Pc+fOVXl5ebf7BAIBNTQ0xCwAgJ576d0a7TrqV2qSR2Vfna/05AR9cKJFb1We6n4HKh+wWVzDR02NWebLzc2NeT83Nze67kxr1qyRz+eLLgUFBfFsEgAMeT99/aAkadm1EzQ2O1Xzp4yUJG2uqOt+h0j4SKLyAXvYfrXLqlWr5Pf7o8vhw4ftbhIADBp7axv1t8P1SnC79Ll5YyVJ10/JkST9ed/x7nei2wU2i2v4yMvLkyTV1tbGvF9bWxtddyav16uMjIyYBQAuJqea2/X8tkq9tLtaobBhd3NirH/T/Afb9UUjlZNuzlg6e1yWJGlPdaPaO8Jn78QkY7BZXMPH+PHjlZeXp02bNkXfa2ho0NatW1VcXBzPjwIAS7xdeUrzv79Z3/jNLt3/n29p2b9vV0eomx90GwRDYW14+6gk6VNXne6yHjM8RRnJCWoPhbWvrjF2p3D49L1dqHzAJr0OH01NTdq5c6d27twpyRxkunPnTlVWVsrlcunBBx/Ud7/7Xf3ud7/Trl279PnPf175+fm67bbb4tx0ABhYR+tbtfTn2+RvDWpc9jAlJ7q1ueKYnio7YHfTJEmbK47peFO7RqQlaX5nV4skuVwuTRvtkyTtPuqP3amj9fRzKh+wSa/Dx5tvvqkrrrhCV1xxhSRp5cqVuuKKK/TQQw9Jkr72ta9p+fLl+sIXvqDZs2erqalJL730kpKTuXsigMHDMAx9/b/eUUNbh2aO8en3/3it/vWT0yVJT5UdlL8laHMLpV93drksuXKMEj2xf86L8swu7H21TbE7BbuEjwTCB+zR6/Axf/58GYZx1vLss89KMhP3d77zHdXU1KitrU1/+tOfNHny5Hi3GwAG1MZ3qvXG/uNKTnTrsTsvV6o3QbddPlpTctPVFOjQhreP2Nq+Y40BvbbHvJrljlljzlo/foTZpfLBiebYFZHxHgkpktv2aw7gUJx5AHCGQEdIj768R5L0D/MnaUJOmiTJ7Xbp7jnm2Ir/esve8PHC20fVETZ0eUGmLslNP2v9uBGpkqRDx88MH8zxAfsRPgDgDL/cUqnDJ1uVk+7V3187PmbdLTPz5XJJu482qNrfeo4jDCzDMLR+h9nlcsdVZ1c9JGlcthk+Dp9sjb1Ch8tscREgfABAF41tQf3oVfNmmCsWTtawpNi7UGSneXVFQaYk6dU955jEa4C9c8SvvbVN8ia4dcvM/G63yc9MUZLHrfZQWFX1XUJS5KZyTDAGGxE+AKCLn7/xgU61BDVhRKo+dY6qwoKp5izOr9kUPiIDTRdPy1NGcmK323jcLo3KNAf6x4SPQOelt96zu2oAqxA+AKBTfUu7/u3P5lTlD944WQme7v9EXjNphCRp+wenFLZ40rHW9pB+t7NKUuzcHt0Z5TPDR01Dl7uKBzqvfklKG5D2AT1B+ACATv/v9YNqDHSoKC9dn5g+6pzbXZafoWFJHvlbg9p75iReA+wPu6rVGOhQYdYwzZuQfd5t833moNKq+i7ho53KB+xH+AAAScebAnrmLx9IklbeOFnu7m5F3ynB49aVhcMlmdUPK/1qu9nlcufsgvO2UVK02yVmYGyk24XKB2xE+AAASU++dkCtwZBmjvHpxktzL7j9VeM6w8ehkwPdtKgDx5q07YOTcruk27uZ2+NMed1VPiLdLlQ+YCPCBwDHO3S8Wf+x5QNJ0pdvmiKX6/wVBen0zdveqrSu8hGpetxQNFK5GReeNTrf103loz0SPqh8wD6EDwCO9y+/f1/BkKGPTs7RdZNzLryDFL13ypFTrapvaR/I5kmSmgMdem5bpSTp7jmFPdpnVGflo9rftfLRYD7S7QIbJVx4EwCIvw9PNGvroZOq8bfJ43Zp0sg0XT1phNK81v5Z+vO+Y/rT+7XyuF361iem9ng/X0qixmYP04cnWvRuVYOu7rwCZqD891tH1NjWofEjUnX9lJE92idytcvJ5na1BUNKTvTQ7YKLAuEDgGUMw9Bf9p/QD16p0FuV9WetT03y6LPFY1V6/aRzzl8RTy3tHfqnDbslSZ+bN1aTRvbuB3lavk8fnmjRrqP+AQ0f4bARHQx779XjLjjQNCJzWKISPS4FQ4ZONLdrdGZKl24XwgfsQ/gAYInyAyf02Ct7te0Dc4BmgtulKwuHa/yIVAXDYb35wSlVnmzRT8sOauPOKn3/jpn6yABXEx59uUKVJ1uU70vWl2/q/Q0wLxudod/vqj77tvVx9qf3a3XoeLMykhNUcuWFB5pGuFwujUjzqtrfpmONATN8cLULLgKEDwAD6s0PTuoHr+zVXw+ckCQlJbj1mbmF+uJHJ2pkl0GThmFo0/t1+t+/f08fnmjRZ57equU3XKIvLbhEnh7+S783NlfU6dm/fiBJWlMyQ+l9qLRMyzfHfbxb1RDPpsUwDEM/3GRO9/7ZeWOV2stuqZx0M3wcbwyYbwQYcAr7ET6AIcQwDPlbgzpa36q6hoCCobDChiHJpYyUBA0flqTs1CTlpHt7dEVHf2w9eEI/enW/3th/XJKU6HHprtmFKr1+kvJ8Z1+p4XK5tPDSXH1kUra+s/E9Pb/9sJ7YtE/bD53UD++6PCao9Nfhky168Fc7ZRjSZ+cV6qM9HGR6psig00PHm9XQFhyQrqL/ea9W71Y1KDXJo/uundDr/UekeSWZ85hIOj3JWBLdLrAP4QM4D8MwFAwZCnSE1BEy1BE2FAobCobCCoUNdYTD6ggbcsmlRI9LiR63EjofE91uJSW45U1w97iP/kKaAh2qbWhTjb9NVfWtqqpvU7W/VUfrW1VV36pqf5ta2kMXPE5Kokdjs4dpXHaqJo5M1aSRaZqUk66JI1PPupFab7S2h/SHXdVat61SOz40L0FNcLt0x1Vj9MANl5hl/wsYlpSg75XM0LwJ2frmhl0qP3hCH3viz3r8zit0zSX974Y51dyu//XsdtW3BDVzjE/f+sSlfT5WVmqSRvmSVe1v096aRl3VefltvITDhh7/k1n1uOfqcRqemtTrY4xIM/c5Fq18RGY4pfIB+zgmfNQ1tunRlyqir7vejcE449YMRte13T/t3M/odt3Zx+t+n7OOGfNZZ2xndP/8zG2N87b3nJ98zv3O197e/Hee+VmGDPOxy/PoMbqu7zyWEbNvNx/ucsl1+qn5GH3d3TpXdINgKKxAMKxAR0jt0efm60BH+KyP6otEj0veBI+8nWHEm9jleYJH3kS3kjxueRPN1y5Jze0damkPqTnQofrWoGr9bWruQbCQpOzUJOVmJMub6Jbb5VLYMNTQGpS/NaiTze1qDYa0p6ZRe2oapXdj9x2dmWKGka5LTlq3P3xNgQ7tr2vSrqN+/XnvMf31wAk1BTokSUket+64aozu/+hEFWT1/g6qt10xWtPH+FT6y7e0p6ZRn/t5/7th6lvadc8z27Svrkl5Gcl68rOz5E3w9OlYEZNz01Xtb1NFbfzDx2/ePqr3qxuU5k3oU9VDMrtdpC6VD652wUXAMeGjqa1D63ccsbsZGAISPS553C4lut3yeFxKcLtkGFJ7KKyOkFkV6TjjZmPBkKFgqEORv//9ke5N0MgMr/IzU5TvSzEfM5M7H1M0ypdsXlJ5Du0dYR2tb9UHJ5p16FizDhxr0r66Jh2oa9KJ5nYdrTcrKWV7j8Xs50tJ1LAkj5IS3OoImWGmsTNodFWQlaJPzSrQHVcVdNu90hsTc9L0QunVWr3xPT23rVJPbNqnbYdO6Pt3zNSY4b0LNIeON2vZs9t18Hizhg9L1H/+/ZweVWIupCgvXWV7j2lvTXzv8dLYFtT3/rhHkrT8hknKHNb7qofUtdulXeoISOGguYIBp7CRY8JHVmqSvn5zUcx7Xbu8z/x3VOw61znXnalrP/r5j3nu/S60rXr8GT0/5vn2Uw/bfd5jnnVI1+kqRGdlomtVwtVZmDDfO/26u+1jqiY6XXXpWi2JbHH2tp1ViW4qEd6ESLeJuS7R45bbdfb/Vt0xDEPtobDZZRMMdVZSwmrvUlGJVFsiVZb2zm0CQXOcRqo3Qalej4YlJSgjOVG5GV7lZiT3esDhmZIS3Bo/IrVzvojYdaea27X/WJP21TZpf12T9h9r0v7aRlX52+TvrJycKSfdqym56Zo3IUvXTc7RtHxf3LqZJCk50aM1S6Zr3oQsffM3u7Tl4End8P0yLf3IWN133QSNTD9/wAmGwvqP8g/16MsVag2GNDozRT+/Z3avL6s9l8m55nEqauMbPp7YtE/HmwKaMCJV9149vs/HiVQ+jjUGTne5SIQP2Mox4SNzWJK+OH+i3c2AQ7hckW4WWT5pVn8MT03S7NSs6NThEc2BDh051RoNSR63S76URGWneuUbNvDzcUjSrZeP1vTRPv3Tht0qP3hCP/vzIT3zlw9002W5uvHSXM0Zn61RGclyu10KdIS0v65Jr+2p03PbDutovTm9+LwJWXririviOnh1Sl5n+KhplGEYcRnIu/NwvX7eOa/Htz5xqZIS+j4ZdcyA07bOS4ITUyXP4DkvMfRw9gG4oFRvQvRH1k4TctK07r65Ktt7TD96db92fHhKf9hVoz/sqpFkVrGSPG61BkPq2vOVk+7VPy64RJ+ZUxjXqowkTRqZJpdLOtUS1PGm9miloa/agiF9+dc7FQobumVmvq4v6tlspucSCR/HGgNSa7355rD4jk0BeovwAWBQcblcmj9lpOZPGal3q/x68Z1qvb73mCpqGjvH1piDctO8CZo9brgWTxulv7s8/7zjYPojOdGjcdmpOnS8WXtrG/sdPtb84X0dONasnHSv/vetl/W7fZH2NAY61N50XEmSlJLZ7+MC/UH4ADBoXZbv02X5Pn395iJ1hMKqbQyoIxRWSpJHOWkDP5dJxOTcNB063qyKmsZ+TbO+4e0j+vfyDyVJj5TM6PMg064ykhOU5HGrPRRW46ljypaklOH9Pi7QH9zVFsCQkOBxa3RmisZmp2pkerJlwUOSpnQOOt3bj0Gn7xyp1zf+e5ck8+qW/na3RLhcrmj1o8VvTvhG+IDdCB8A0E+TO8fD7Onj5bb765p0zzPbFegIa/6UHD24sPf3mTmfyERjgUbCBy4OhA8A6KdI5WNfbaPC4d7NSnf4ZIs+//RWnWxu14wxPv3401fG/V42kcpHR5M56yzhA3YjfABAP40bkapEj0vN7aHoZb09sbe2Ubc/9VdV+ds0ISdVz9wze0AuzY5c8WK0mncUJnzAboQPAOinRI9bE3PMSbt62vVSfuCE7niqXLUNAV0yMk3r/n6estP6d6XMuUQqH+62evMNwgdsRvgAgDiYOipDklRR03De7QzD0L/9+aA++/RW+VuDurwgU+vvL+73VPTnEwkfCYF68w3CB2zGpbYAEAeRSdjeP0/l41hjQN/csEuvvFcrSfrkFaP1r5+crpSkgZmDJCKns6KS3NEZjAgfsBnhAwDioChyxUv12ZUPwzD04jvVeui3u3WqJahEj0vf/NhU3fORcZZcEjyis/IxLNQZjAgfsBnhAwDiINLtcuh4s9qCoeiMqu9XN+i7v39Pf9l/Irrd/71jpi7Nz7CsbTlpXrkUVrrRaN6hkfABmxE+ACAORqZ7lTksUfUtQe2va1KeL1k/eGWvnt9WqbBh3k34ix+dqNLrJ/XrRnF9kZPu1XA1KcEVNt8Y1vdZWIF4IHwAQBy4XC4V5aVry8GTeuyVvdp26KQaAx2SpI/PGKVv3FykgqxhtrQt1ZugwiSzOyiUnCVPQv+nbQf6g/ABAHFSlJehLQdPatOeOknStNEZeugTl2nOePvvIjsxpVkKSIHkHNkTgYDTuNQWAOJk9jgzZOSke/Xo7TP0u9JrLorgIUnjvOZg05akbJtbAlD5AIC4+dj0PG184BpNyElV6gDMVNofoxPM8OFPyBIjPmA3Kh8AECcul0vTx/guuuAhSXkevyTphLjSBfYjfACAA2Qb5k3lao1MexsCiPABAI6QGTbDR1XQuvlFgHMhfACAA6QFzUnOKtvTbG4JQPgAgKEvHFZKS5Uk6f1Wn82NAQgfADD0NdXKHQooZLi0qylNgY6Q3S2CwxE+AGCoq/9QklSjEQoaCaqqb7O5QXA6wgcADHWnzPBRl5AnSTp8ssXO1gCEDwAY8jorH00poyVJR0612tkagPABAENeZ+WjPb1AknT4FJUP2IvwAQBD3alDkiR31jhJdLvAfoQPABjKDEOqe0+SlDzqUknSoePNdrYIIHwAwJDWWCO1npJcHhVMuVyStLe2kcttYSvCBwAMZXXvmo/ZEzV6xHBlDktUMGRob02Tve2Cow1Y+Fi7dq3GjRun5ORkzZ07V9u2bRuojwIAnEut2eWikZead90dbc5wuvPwKRsbBacbkPDxq1/9SitXrtTDDz+st956SzNnztSiRYtUV1c3EB8HADiXml3mY+5lkqR5E7IlSa+8z99j2MdlGIYR74POnTtXs2fP1o9//GNJUjgcVkFBgZYvX65vfOMb5923oaFBPp9Pfr9fGRncfREA+uWx6ZK/UvrcC9LE63XgWJMW/N8yuVzS00uv0qyxWXK7ut/V5TrHCgx6bpc0LCkhrsfsze93fD9ZUnt7u3bs2KFVq1ZF33O73Vq4cKHKy8vP2j4QCCgQCERfNzQ0xLtJAOBM9YfN4OHySGNmS5Im5qTpEzNG6cV3qvW/nn3T5gbCLhNyUvXql+fb9vlxDx/Hjx9XKBRSbm5uzPu5ubnas2fPWduvWbNGq1evjnczumnYfmnt7M4XnWne5TrP887tuj4/7z7qfp8L7t/DfVwuyeU+z9Ldes8F1l9o/x5s4/ZI7oQujwmnX7s8sa9j1id0s+95tnGdsY0nyVwSOh/diZKb8dNAjMrOf/DlXy5506Jvf69khpITPfrjrmo1t3PVC6wX9/DRW6tWrdLKlSujrxsaGlRQUDAAn2RIRvistzCEuBM7Q0nnY4L39POYJbFzXWRbb+w+CV4pcZiUkCwlpphLzPMUKTG587Hr+mGSx/b/SwGn7fsf83Hs1TFvp3kT9P07ZurR22eoPXT672L8O+GB7sX9L+WIESPk8XhUW1sb835tba3y8vLO2t7r9crr9ca7GWcbPl768l5FE4dhnOe5zNddn59zu/Ps06P9e7iPITM8nXfpDFhG6ALre3KMHm4T7pDCoTMeO2JfGxdYH/O6J9t0SKF287hdhYPmErzAuTCQ3AmnQ0lSqvmvzaT0zse0nr32ZkjJmVKyjzAz2FT/TfqPJWaAHT5eyupcho+XsidKI6aYwdUKwTap4iXz+dS/63YTl8slb4LHmvYAXcT9L1tSUpJmzZqlTZs26bbbbpNkDjjdtGmTHnjggXh/XM95EqT03Atvh8EjHJJCQSkU6HxsN5eO9tPPY5ag1NF12+72C5h/tDtazcdgi9TRJgVbzSXmeevpbaNt6pDaG80lHpNIRoJISmQZ3uV15PlwKXWElDrSfEwZ3qXrDpb62/NSy3HzecNR6cM3Yte7PFL2JClvmpQ7TcqbLo2eJQ3Lin9b9r9inocZo83PAC4iA/LPqpUrV2rp0qW66qqrNGfOHD3++ONqbm7WvffeOxAfB6dye8zFqn9JnothnA4l0XDSIrU3S4Em8wcg0CS1N/XsdaAzvEhSoMFc/JU9b487sTOM5EhpI83HyJKWK/lGSxn55o9SggVVRyf54M/m4w3/LGWOlU4eMu+rcvKgdHyf1HpSOl5hLrv/+/R+OVOlwrlSYbHZRZIZh67n8ifNx+l3MB4KF50BCR933nmnjh07poceekg1NTW6/PLL9dJLL501CBUYElyu02M/4iXUIbX5zWmx2+rNx9b6czw/JTUfM5c2v9n11FhtLheSmmOGEN+Y04HEN+Z0l8FA/It8qGo9JdXsNp9f8fmzK62GYU51XrvbnHujdrdUtVM6eUA69r657HjW3HbEFOmSG6VJC6WxH+l9SDy4War8qxlE597fz/8wIP4GZJ6P/mCeD6AfOgKng0jTMam5rsvzY2YgaagyuwQ62i58vGSflDWhM4xM6FzGSzlFBJMz7fmD9PzdUvYl0vJeXMLadEw6vNW8MqWyXKp6O3ZwfGKqNP46afJN0qQbL1wVaTkp/ex66dQH0uz7pI9/v0//OUBv2TrPBwAbJXjNyoVvzPm3MwzzR6rhiBlG/EfMQNJQZc4NceqQGVTa/OaPYdXbZx8jdaQ0curpJWeqNLLIDCxO9EHn+I5x1/Ruv7QcaeonzEUyKygHN0v7/iTt/5PUVCPt/aO5SNLIS6VLbjKXgjnmlVoRde9Lv7nPDB6+AmnBQ/39rwIGBJUPAN1rbzF/xE4ePD1u4eQh6cSB849BySyU8q+U8q8wl1EzzQGyQ92Txeat60uelqbfHp9jGobZRbPvf6R9r0hHtsVWRTxJ5gDW5Eyp5YQ5lkSShmVL9/zeDIWARXrz+034ANB7gSbpWIU5TqGuy9JY1f32WRPNIFI4zxzDkDN1aA2CrD8sPT7NnHjvqwcGrkuq5aR04NXTYaT15BkbuKSij0uL/8+Fq19AnNHtAmBgedOkMbPMpavWU1L1O6e7aqreluo/NAdVnjwg7f4vc7vkTDOERK7uyL/cvHJpsNr3svk4Zs7AjoUZlmVWVabfLoXDZgXq+H7zSqmkNGnUDPMKJ+AiR/gAED8pw6UJHzWXiJaTZgg58qZ5Bcbh7eaVOhV/MJfoftebV3dMWiClnz0h4UVtb2f4mLzIus90u6Xh48wFGGQIHwAG1rAsM1BMWmC+DgXN6siHfzGv7vjgL2bF5N3fmItkTsA1aaE5M+foKy/uSdNaTkoHXjOfT/mYvW0BBgnCBwBreRJPd9lc/Y/mnCZHd5hXdhzYJB19y5wDo3a39JfHzblHpt5iLoXFF1/3zO7/NudWyZtuXu0D4IIYcArg4tJ8whxUufePZndGe9PpdcNGSJfdJs24Sxpz1cVREfnZAunom9JN/yJ9xMZbSAA242oXAENDsM2c8+L930l7fm+OFYnImijNvEua8Sn7xj0c2SH92w3mDQVXvMf9o+BohA8AQ08oKB0qk975tfT+RvP+ORGFH5FmLZUuvTW+09xfyPp7pHc3SDPvlj75lHWfC1yECB8AhrZAk7TnRelvz0kHyyR1/hlLzpQu/7Q0614pZ/LAtqH2Xempa8xJv+7/i3mnWsDBCB8AnKOhSnr7l9Jb/y75D59+f+zVZgi59O/if/dew5B+catZibn0VulTv4jv8YFBiPABwHnCIWn/JmnHM9Lel05PQ56SZXaLzFoq5UyJz2fteFba+CVzevMHtjPXBiDCBwCn8x+V3v5P6a1fmDfPiygslmbd07+xIUd2SM9+XOpolRaulq55MB4tBgY9wgcASJ3VkD9JO/69sxoSMt9P9pmX6175eSn3sp5fslu5RVp3p3nVzaSF0qfXD6171AD9QPgAgDNFx4b8IvauvFkTzdvZT/m4efO7hKSz922qk8rXSuU/lsId0pjZ0udeMO9xA0AS4QMAzi0clg6+eroaEmo/vc7jNWcqzSw07zcTbJVO7DdnYI1UTS5bIv3djwgewBkIHwDQE20NZrfMnhfNWVVbT51729FXSdd9RZp888UxsypwkenN7zf3dgHgXMkZ0rQl5mIY0smDUs07UkO11OY3L9H1FZj3ocmaYHdrgSGD8AEAklnNyJ5oLgAGFMO0AQCApQgfAADAUoQPAABgKcIHAACwFOEDAABYivABAAAsRfgAAACWInwAAABLET4AAIClCB8AAMBShA8AAGApwgcAALAU4QMAAFjqorurrWEYkqSGhgabWwIAAHoq8rsd+R0/n4sufDQ2NkqSCgoKbG4JAADorcbGRvl8vvNu4zJ6ElEsFA6HVVVVpfT0dLlcrrgeu6GhQQUFBTp8+LAyMjLiemzw/VqB73jg8R0PLL7fgWfXd2wYhhobG5Wfny+3+/yjOi66yofb7daYMWMG9DMyMjI46QcQ3+/A4zseeHzHA4vvd+DZ8R1fqOIRwYBTAABgKcIHAACwlKPCh9fr1cMPPyyv12t3U4Ykvt+Bx3c88PiOBxbf78AbDN/xRTfgFAAADG2OqnwAAAD7ET4AAIClCB8AAMBShA8AAGApx4SPtWvXaty4cUpOTtbcuXO1bds2u5s0ZHz729+Wy+WKWYqKiuxu1qD2+uuv65ZbblF+fr5cLpdeeOGFmPWGYeihhx7SqFGjlJKSooULF2rfvn32NHYQutD3e88995x1Tt988832NHYQWrNmjWbPnq309HSNHDlSt912myoqKmK2aWtrU2lpqbKzs5WWlqaSkhLV1tba1OLBpyff8fz58886j++//36bWhzLEeHjV7/6lVauXKmHH35Yb731lmbOnKlFixaprq7O7qYNGZdddpmqq6ujyxtvvGF3kwa15uZmzZw5U2vXru12/SOPPKInnnhCTz31lLZu3arU1FQtWrRIbW1tFrd0cLrQ9ytJN998c8w5/dxzz1nYwsGtrKxMpaWl2rJli1555RUFg0HddNNNam5ujm6zYsUKbdy4UevXr1dZWZmqqqq0ZMkSG1s9uPTkO5ak++67L+Y8fuSRR2xq8RkMB5gzZ45RWloafR0KhYz8/HxjzZo1NrZq6Hj44YeNmTNn2t2MIUuSsWHDhujrcDhs5OXlGY8++mj0vfr6esPr9RrPPfecDS0c3M78fg3DMJYuXWrceuuttrRnKKqrqzMkGWVlZYZhmOdrYmKisX79+ug277//viHJKC8vt6uZg9qZ37FhGMZHP/pR40tf+pJ9jTqPIV/5aG9v144dO7Rw4cLoe263WwsXLlR5ebmNLRta9u3bp/z8fE2YMEGf+cxnVFlZaXeThqxDhw6ppqYm5pz2+XyaO3cu53Qcbd68WSNHjtSUKVP0xS9+USdOnLC7SYOW3++XJGVlZUmSduzYoWAwGHMOFxUVqbCwkHO4j878jiN++ctfasSIEZo2bZpWrVqllpYWO5p3lovuxnLxdvz4cYVCIeXm5sa8n5ubqz179tjUqqFl7ty5evbZZzVlyhRVV1dr9erVuvbaa7V7926lp6fb3bwhp6amRpK6Pacj69A/N998s5YsWaLx48frwIED+uY3v6nFixervLxcHo/H7uYNKuFwWA8++KCuvvpqTZs2TZJ5DiclJSkzMzNmW87hvunuO5akT3/60xo7dqzy8/P1zjvv6Otf/7oqKir0m9/8xsbWmoZ8+MDAW7x4cfT5jBkzNHfuXI0dO1a//vWvtWzZMhtbBvTNXXfdFX0+ffp0zZgxQxMnTtTmzZu1YMECG1s2+JSWlmr37t2MAxtA5/qOv/CFL0SfT58+XaNGjdKCBQt04MABTZw40epmxhjy3S4jRoyQx+M5axR1bW2t8vLybGrV0JaZmanJkydr//79djdlSIqct5zT1pkwYYJGjBjBOd1LDzzwgF588UW99tprGjNmTPT9vLw8tbe3q76+PmZ7zuHeO9d33J25c+dK0kVxHg/58JGUlKRZs2Zp06ZN0ffC4bA2bdqk4uJiG1s2dDU1NenAgQMaNWqU3U0ZksaPH6+8vLyYc7qhoUFbt27lnB4gR44c0YkTJzine8gwDD3wwAPasGGDXn31VY0fPz5m/axZs5SYmBhzDldUVKiyspJzuIcu9B13Z+fOnZJ0UZzHjuh2WblypZYuXaqrrrpKc+bM0eOPP67m5mbde++9djdtSPjKV76iW265RWPHjlVVVZUefvhheTwe3X333XY3bdBqamqK+dfJoUOHtHPnTmVlZamwsFAPPvigvvvd7+qSSy7R+PHj9a1vfUv5+fm67bbb7Gv0IHK+7zcrK0urV69WSUmJ8vLydODAAX3ta1/TpEmTtGjRIhtbPXiUlpZq3bp1+u1vf6v09PToOA6fz6eUlBT5fD4tW7ZMK1euVFZWljIyMrR8+XIVFxdr3rx5Nrd+cLjQd3zgwAGtW7dOH/vYx5Sdna133nlHK1as0HXXXacZM2bY3Ho541JbwzCMH/3oR0ZhYaGRlJRkzJkzx9iyZYvdTRoy7rzzTmPUqFFGUlKSMXr0aOPOO+809u/fb3ezBrXXXnvNkHTWsnTpUsMwzMttv/Wtbxm5ubmG1+s1FixYYFRUVNjb6EHkfN9vS0uLcdNNNxk5OTlGYmKiMXbsWOO+++4zampq7G72oNHddyvJeOaZZ6LbtLa2Gv/wD/9gDB8+3Bg2bJjxyU9+0qiurrav0YPMhb7jyspK47rrrjOysrIMr9drTJo0yfjqV79q+P1+exveyWUYhmFl2AEAAM425Md8AACAiwvhAwAAWIrwAQAALEX4AAAAliJ8AAAASxE+AACApQgfAADAUoQPAABgKcIHAACwFOEDAABYivABAAAsRfgAAACW+v9Gj0M70LX4EwAAAABJRU5ErkJggg==", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "plt.plot(profile.r / si.ANGSTROM, (profile.density / (si.MOL / si.METER**3))[0] / 5000)\n", - "plt.plot(profile.r / si.ANGSTROM, profile.external_potential[0])" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# DFTSolver options" - ] - }, - { - "cell_type": "code", - "execution_count": 22, - "metadata": {}, - "outputs": [ - { - "data": { - "text/markdown": [ - "|solver|max_iter|tol|\n", - "|-|-:|-:|\n", - "|Newton (max_iter_gmres=200)|50|1e-11|" - ], - "text/plain": [ - "DFTSolver(\n", - " Newton { log: false, max_iter: 50, max_iter_gmres: 200, tol: 1e-11 }\n", - ")" - ] - }, - "execution_count": 22, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "# create a list of solvers that are called consecutively\n", - "solver = DFTSolver().newton()\n", - "solver" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.13.5" - } - }, - "nbformat": 4, - "nbformat_minor": 4 -} diff --git a/examples/pcsaft/fea_adsorption.ipynb b/examples/pcsaft/fea_adsorption.ipynb deleted file mode 100644 index e19ae4add..000000000 --- a/examples/pcsaft/fea_adsorption.ipynb +++ /dev/null @@ -1,230 +0,0 @@ -{ - "cells": [ - { - "cell_type": "code", - "execution_count": 1, - "metadata": {}, - "outputs": [], - "source": [ - "from feos.dft import ExternalPotential, HelmholtzEnergyFunctional, Adsorption1D, Geometry, Pore1D, State\n", - "from feos.pcsaft import PcSaftParameters\n", - "from si_units import ANGSTROM, KELVIN, BAR, NAV, KILO, METER, MOL, linspace\n", - "\n", - "import pandas as pd\n", - "import numpy as np\n", - "import os\n", - "import json\n", - "from scipy.spatial import Voronoi, distance\n", - "from itertools import permutations" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": {}, - "outputs": [], - "source": [ - "class SolidStructure:\n", - "\n", - " N_atom = 0\n", - " dimensions = {\n", - " \"Lx\": 0.0,\n", - " \"Ly\": 0.0,\n", - " \"Lz\": 0.0\n", - " }\n", - " forcefield = ''\n", - " total_mass = 0.0\n", - "\n", - " def __init__(self,structure):\n", - " \n", - " self.name = structure\n", - "\n", - " database = os.path.join(os.getcwd(),'structure_parameters','solid_database.json')\n", - " \n", - " with open(database) as f:\n", - " data = json.load(f)\n", - "\n", - " for i in range(len(data)):\n", - " if data[i]['Name']==self.name:\n", - " self.N_atom = data[i]['N_atom']\n", - " self.dimensions = data[i]['Dimensions']\n", - " self.forcefield = data[i]['Forcefield']\n", - " \n", - " \n", - " def read_structure(self):\n", - " struct_param = os.path.join(os.getcwd(),'structure_parameters')\n", - " structure_df = pd.read_csv(os.path.join(struct_param,'{}.dat'.format(self.name)),names=['x','y','z','Type'], delim_whitespace=True)\n", - " \n", - " filename = os.path.join(struct_param,'{}.dat'.format(self.forcefield))\n", - " forcefield_df = pd.read_csv(filename,names=['Type','sigma','epsilon','mass'], delim_whitespace=True)\n", - "\n", - " coordinates = np.array([structure_df[\"x\"], structure_df[\"y\"], structure_df[\"z\"]])\n", - " \n", - " sigma_ss = np.zeros(len(structure_df[\"x\"]))\n", - " epsilon_k_ss = np.zeros_like(sigma_ss)\n", - " \n", - " for i in range(len(sigma_ss)):\n", - " sigma_ss[i] = forcefield_df.sigma[forcefield_df.Type==structure_df[\"Type\"][i]]\n", - " epsilon_k_ss[i] = forcefield_df.epsilon[forcefield_df.Type==structure_df[\"Type\"][i]]\n", - " \n", - " self.total_mass = np.sum(np.array([forcefield_df.mass[forcefield_df.Type==t]for t in structure_df.Type])) * 1.66054e-27\n", - "\n", - " return coordinates, sigma_ss, epsilon_k_ss " - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "/tmp/ipykernel_2498554/267063123.py:30: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\\s+'`` instead\n", - " structure_df = pd.read_csv(os.path.join(struct_param,'{}.dat'.format(self.name)),names=['x','y','z','Type'], delim_whitespace=True)\n", - "/tmp/ipykernel_2498554/267063123.py:33: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\\s+'`` instead\n", - " forcefield_df = pd.read_csv(filename,names=['Type','sigma','epsilon','mass'], delim_whitespace=True)\n", - "/tmp/ipykernel_2498554/267063123.py:41: FutureWarning: Calling float on a single element Series is deprecated and will raise a TypeError in the future. Use float(ser.iloc[0]) instead\n", - " sigma_ss[i] = forcefield_df.sigma[forcefield_df.Type==structure_df[\"Type\"][i]]\n", - "/tmp/ipykernel_2498554/267063123.py:42: FutureWarning: Calling float on a single element Series is deprecated and will raise a TypeError in the future. Use float(ser.iloc[0]) instead\n", - " epsilon_k_ss[i] = forcefield_df.epsilon[forcefield_df.Type==structure_df[\"Type\"][i]]\n" - ] - } - ], - "source": [ - "structure = SolidStructure('LTA')\n", - "coordinates, sigma_ss, epsilon_ss = structure.read_structure()\n", - "system_size = [structure.dimensions[\"Lx\"] * ANGSTROM, structure.dimensions[\"Lx\"] * ANGSTROM, structure.dimensions[\"Lx\"] * ANGSTROM]" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "6.84534814234455 3220\n", - "[5.9595, 5.9594999999999985, 5.9595]\n", - "CPU times: user 410 ms, sys: 8.46 ms, total: 419 ms\n", - "Wall time: 418 ms\n" - ] - } - ], - "source": [ - "%%time\n", - "vor = Voronoi(coordinates.T)\n", - "\n", - "minimum_distance = 0.0\n", - "dist = np.zeros(int(vor.vertices.size / 2))\n", - "for i,point in enumerate(vor.vertices):\n", - " if(point[0] >= 0.0 and point[0] <= structure.dimensions[\"Lx\"] and point[1] >= 0.0 and point[1] <= structure.dimensions[\"Ly\"]):\n", - " dist[i] = np.min(distance.cdist(np.array([point]),coordinates.T))\n", - "pore_radius = np.max(dist)\n", - "print(pore_radius,np.argmax(dist))\n", - "pore_center = [vor.vertices[np.argmax(dist)][0], vor.vertices[np.argmax(dist)][1], vor.vertices[np.argmax(dist)][2]]\n", - "print(pore_center)" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": {}, - "outputs": [], - "source": [ - "params = PcSaftParameters.from_json(['argon'],'structure_parameters/noble_gases.json')\n", - "func = HelmholtzEnergyFunctional.pcsaft(params)" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [], - "source": [ - "potential = ExternalPotential.FreeEnergyAveraged(coordinates * ANGSTROM, sigma_ss, epsilon_ss, pore_center, system_size, [51, 51])\n", - "pore = Pore1D(Geometry.Spherical, 5.9595 * ANGSTROM, potential, 128)" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [], - "source": [ - "isotherm = Adsorption1D.adsorption_isotherm(func, 298.0 * KELVIN, linspace(1.0e-3 * BAR, 5.0 * BAR, 51), pore)" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "" - ] - }, - "execution_count": 8, - "metadata": {}, - "output_type": "execute_result" - }, - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "import matplotlib.pyplot as plt\n", - "\n", - "f, ax = plt.subplots(1,2,figsize=(15,5))\n", - "ax[0].plot(isotherm.pressure/BAR, isotherm.total_adsorption*NAV)\n", - "ax[0].set_xlabel('$p~~/~~\\\\mathrm{bar}$')\n", - "ax[0].set_ylabel('$N$')\n", - "ax[0].set_xlim(0,5)\n", - "ax[0].set_ylim(0,1)\n", - "\n", - "for profile in isotherm.profiles[::10]:\n", - " ax[1].plot(profile.r/ANGSTROM, (profile.density/(KILO*MOL/METER**3)).T, label=f'{profile.bulk.pressure()/BAR:.2} bar')\n", - "ax[1].set_xlabel('$r~~/~~\\\\mathrm{\\AA}$')\n", - "ax[1].set_ylabel('$\\\\rho~~/~~\\\\mathrm{kmol/m³}$')\n", - "ax[1].set_xlim(0,6)\n", - "ax[1].set_ylim(0,8)\n", - "ax[1].legend()" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/pcsaft/hexane_nist.csv b/examples/pcsaft/hexane_nist.csv deleted file mode 100644 index 2e4b73acc..000000000 --- a/examples/pcsaft/hexane_nist.csv +++ /dev/null @@ -1,104 +0,0 @@ -Temperature (K) Pressure (MPa) Density (mol/m3) Volume (m3/mol) Internal Energy (kJ/mol) Enthalpy (kJ/mol) Entropy (J/mol*K) Cv (J/mol*K) Cp (J/mol*K) Sound Spd. (m/s) Joule-Thomson (K/MPa) Viscosity (Pa*s) Therm. Cond. (W/m*K) Phase -450.00 0.010000 2.6774 0.37350 45.229 48.964 154.33 193.37 201.76 212.47 11.204 9.4340e-06 0.029374 vapor -450.00 0.11000 29.984 0.033351 45.065 48.734 134.03 193.94 203.09 209.04 11.510 9.4218e-06 0.029276 vapor -450.00 0.21000 58.329 0.017144 44.896 48.496 128.27 194.53 204.55 205.48 11.842 9.4339e-06 0.029196 vapor -450.00 0.31000 87.826 0.011386 44.720 48.249 124.64 195.15 206.15 201.76 12.207 9.4759e-06 0.029136 vapor -450.00 0.41000 118.61 0.0084312 44.536 47.992 121.90 195.80 207.93 197.87 12.608 9.5515e-06 0.029098 vapor -450.00 0.51000 150.84 0.0066297 44.343 47.724 119.64 196.49 209.93 193.78 13.053 9.6600e-06 0.029086 vapor -450.00 0.61000 184.71 0.0054138 44.141 47.444 117.69 197.21 212.19 189.48 13.550 9.7984e-06 0.029103 vapor -450.00 0.71000 220.48 0.0045355 43.929 47.149 115.93 197.98 214.78 184.92 14.112 9.9619e-06 0.029156 vapor -450.00 0.81000 258.46 0.0038690 43.703 46.837 114.31 198.80 217.79 180.06 14.755 1.0146e-05 0.029250 vapor -450.00 0.91000 299.06 0.0033438 43.462 46.505 112.77 199.67 221.34 174.84 15.501 1.0348e-05 0.029397 vapor -450.00 1.0100 342.84 0.0029168 43.203 46.149 111.29 200.60 225.65 169.19 16.381 1.0565e-05 0.029609 vapor -450.00 1.1100 390.57 0.0025603 42.921 45.763 109.82 201.61 231.03 163.00 17.447 1.0798e-05 0.029907 vapor -450.00 1.2100 443.42 0.0022552 42.611 45.339 108.34 202.71 238.04 156.09 18.779 1.1050e-05 0.030324 vapor -450.00 1.2329 456.42 0.0021910 42.534 45.236 108.00 202.97 239.97 154.38 19.134 1.1111e-05 0.030442 vapor -450.00 1.2329 5569.7 0.00017954 25.744 25.965 65.177 204.59 276.67 409.02 0.48292 8.2036e-05 0.084655 liquid -450.00 1.3100 5576.9 0.00017931 25.720 25.955 65.123 204.56 276.12 411.64 0.47103 8.2329e-05 0.084750 liquid -450.00 1.4100 5586.1 0.00017902 25.690 25.942 65.055 204.52 275.45 414.98 0.45614 8.2705e-05 0.084872 liquid -450.00 1.5100 5595.1 0.00017873 25.660 25.930 64.988 204.49 274.79 418.27 0.44183 8.3076e-05 0.084993 liquid -450.00 1.6100 5603.9 0.00017845 25.630 25.918 64.922 204.45 274.17 421.51 0.42804 8.3443e-05 0.085113 liquid -450.00 1.7100 5612.6 0.00017817 25.601 25.906 64.856 204.41 273.56 424.70 0.41477 8.3805e-05 0.085231 liquid -450.00 1.8100 5621.1 0.00017790 25.573 25.895 64.792 204.38 272.98 427.84 0.40196 8.4163e-05 0.085348 liquid -450.00 1.9100 5629.5 0.00017763 25.545 25.884 64.729 204.34 272.42 430.93 0.38960 8.4518e-05 0.085464 liquid -450.00 2.0100 5637.8 0.00017737 25.517 25.874 64.666 204.31 271.88 433.98 0.37767 8.4868e-05 0.085579 liquid -450.00 2.1100 5645.9 0.00017712 25.490 25.864 64.604 204.28 271.35 436.99 0.36612 8.5215e-05 0.085693 liquid -450.00 2.2100 5653.9 0.00017687 25.463 25.854 64.543 204.25 270.85 439.96 0.35496 8.5558e-05 0.085806 liquid -450.00 2.3100 5661.8 0.00017662 25.436 25.844 64.483 204.22 270.36 442.88 0.34415 8.5897e-05 0.085918 liquid -450.00 2.4100 5669.6 0.00017638 25.410 25.835 64.423 204.19 269.88 445.77 0.33368 8.6233e-05 0.086029 liquid -450.00 2.5100 5677.3 0.00017614 25.384 25.826 64.364 204.16 269.42 448.62 0.32353 8.6566e-05 0.086139 liquid -450.00 2.6100 5684.8 0.00017591 25.359 25.818 64.306 204.13 268.98 451.44 0.31368 8.6896e-05 0.086248 liquid -450.00 2.7100 5692.3 0.00017568 25.333 25.809 64.249 204.11 268.55 454.22 0.30413 8.7223e-05 0.086356 liquid -450.00 2.8100 5699.6 0.00017545 25.308 25.801 64.192 204.08 268.13 456.97 0.29485 8.7547e-05 0.086464 liquid -450.00 2.9100 5706.9 0.00017523 25.284 25.794 64.136 204.05 267.72 459.69 0.28583 8.7868e-05 0.086570 liquid -450.00 3.0100 5714.0 0.00017501 25.259 25.786 64.080 204.03 267.32 462.37 0.27707 8.8187e-05 0.086676 liquid -450.00 3.1100 5721.1 0.00017479 25.235 25.779 64.025 204.00 266.93 465.03 0.26854 8.8502e-05 0.086781 liquid -450.00 3.2100 5728.1 0.00017458 25.211 25.772 63.970 203.98 266.56 467.65 0.26025 8.8815e-05 0.086885 liquid -450.00 3.3100 5735.0 0.00017437 25.188 25.765 63.916 203.96 266.19 470.25 0.25217 8.9126e-05 0.086988 liquid -450.00 3.4100 5741.8 0.00017416 25.164 25.758 63.863 203.94 265.84 472.82 0.24430 8.9434e-05 0.087091 liquid -450.00 3.5100 5748.5 0.00017396 25.141 25.752 63.810 203.91 265.49 475.36 0.23664 8.9740e-05 0.087193 liquid -450.00 3.6100 5755.1 0.00017376 25.119 25.746 63.758 203.89 265.15 477.87 0.22916 9.0043e-05 0.087294 liquid -450.00 3.7100 5761.7 0.00017356 25.096 25.740 63.706 203.87 264.82 480.36 0.22188 9.0344e-05 0.087395 liquid -450.00 3.8100 5768.2 0.00017336 25.074 25.734 63.655 203.85 264.50 482.83 0.21477 9.0643e-05 0.087494 liquid -450.00 3.9100 5774.6 0.00017317 25.051 25.728 63.604 203.83 264.19 485.27 0.20783 9.0940e-05 0.087594 liquid -450.00 4.0100 5781.0 0.00017298 25.029 25.723 63.553 203.81 263.88 487.69 0.20105 9.1235e-05 0.087692 liquid -450.00 4.1100 5787.3 0.00017279 25.008 25.718 63.503 203.79 263.58 490.08 0.19444 9.1528e-05 0.087790 liquid -450.00 4.2100 5793.5 0.00017261 24.986 25.713 63.454 203.78 263.29 492.46 0.18797 9.1818e-05 0.087887 liquid -450.00 4.3100 5799.6 0.00017242 24.965 25.708 63.404 203.76 263.00 494.81 0.18165 9.2107e-05 0.087984 liquid -450.00 4.4100 5805.7 0.00017224 24.944 25.703 63.356 203.74 262.72 497.14 0.17547 9.2394e-05 0.088080 liquid -450.00 4.5100 5811.7 0.00017207 24.923 25.699 63.307 203.72 262.45 499.44 0.16943 9.2679e-05 0.088176 liquid -450.00 4.6100 5817.7 0.00017189 24.902 25.694 63.259 203.71 262.18 501.73 0.16352 9.2962e-05 0.088271 liquid -450.00 4.7100 5823.6 0.00017171 24.881 25.690 63.212 203.69 261.92 504.00 0.15774 9.3244e-05 0.088365 liquid -450.00 4.8100 5829.5 0.00017154 24.861 25.686 63.165 203.68 261.66 506.25 0.15207 9.3524e-05 0.088459 liquid -450.00 4.9100 5835.2 0.00017137 24.841 25.682 63.118 203.66 261.41 508.48 0.14653 9.3802e-05 0.088553 liquid -450.00 5.0100 5841.0 0.00017120 24.821 25.678 63.072 203.65 261.16 510.69 0.14110 9.4078e-05 0.088645 liquid -450.00 5.1100 5846.7 0.00017104 24.801 25.675 63.026 203.63 260.92 512.89 0.13578 9.4353e-05 0.088738 liquid -450.00 5.2100 5852.3 0.00017087 24.781 25.671 62.980 203.62 260.68 515.06 0.13057 9.4626e-05 0.088830 liquid -450.00 5.3100 5857.9 0.00017071 24.762 25.668 62.934 203.60 260.45 517.22 0.12546 9.4898e-05 0.088921 liquid -450.00 5.4100 5863.4 0.00017055 24.742 25.665 62.889 203.59 260.22 519.36 0.12045 9.5168e-05 0.089012 liquid -450.00 5.5100 5868.9 0.00017039 24.723 25.662 62.845 203.58 260.00 521.49 0.11553 9.5437e-05 0.089102 liquid -450.00 5.6100 5874.3 0.00017023 24.704 25.659 62.800 203.56 259.78 523.60 0.11071 9.5704e-05 0.089192 liquid -450.00 5.7100 5879.7 0.00017008 24.685 25.656 62.756 203.55 259.56 525.69 0.10599 9.5970e-05 0.089281 liquid -450.00 5.8100 5885.0 0.00016992 24.666 25.653 62.713 203.54 259.35 527.77 0.10135 9.6234e-05 0.089370 liquid -450.00 5.9100 5890.3 0.00016977 24.647 25.651 62.669 203.53 259.14 529.83 0.096793 9.6497e-05 0.089459 liquid -450.00 6.0100 5895.5 0.00016962 24.629 25.648 62.626 203.51 258.94 531.87 0.092322 9.6759e-05 0.089547 liquid -450.00 6.1100 5900.7 0.00016947 24.610 25.646 62.583 203.50 258.74 533.91 0.087931 9.7020e-05 0.089635 liquid -450.00 6.2100 5905.9 0.00016932 24.592 25.644 62.540 203.49 258.54 535.92 0.083620 9.7279e-05 0.089722 liquid -450.00 6.3100 5911.0 0.00016918 24.574 25.642 62.498 203.48 258.35 537.93 0.079384 9.7537e-05 0.089809 liquid -450.00 6.4100 5916.1 0.00016903 24.556 25.640 62.456 203.47 258.16 539.92 0.075222 9.7793e-05 0.089895 liquid -450.00 6.5100 5921.1 0.00016889 24.538 25.638 62.414 203.46 257.97 541.89 0.071132 9.8049e-05 0.089982 liquid -450.00 6.6100 5926.1 0.00016875 24.521 25.636 62.373 203.45 257.79 543.85 0.067112 9.8303e-05 0.090067 liquid -450.00 6.7100 5931.0 0.00016860 24.503 25.634 62.332 203.44 257.61 545.80 0.063160 9.8556e-05 0.090153 liquid -450.00 6.8100 5935.9 0.00016847 24.485 25.633 62.291 203.43 257.43 547.74 0.059274 9.8808e-05 0.090237 liquid -450.00 6.9100 5940.8 0.00016833 24.468 25.631 62.250 203.42 257.25 549.66 0.055453 9.9059e-05 0.090322 liquid -450.00 7.0100 5945.7 0.00016819 24.451 25.630 62.210 203.41 257.08 551.57 0.051694 9.9308e-05 0.090406 liquid -450.00 7.1100 5950.5 0.00016805 24.434 25.629 62.169 203.40 256.91 553.47 0.047997 9.9557e-05 0.090490 liquid -450.00 7.2100 5955.2 0.00016792 24.417 25.627 62.129 203.39 256.74 555.36 0.044359 9.9804e-05 0.090573 liquid -450.00 7.3100 5960.0 0.00016779 24.400 25.626 62.090 203.38 256.58 557.23 0.040779 0.00010005 0.090656 liquid -450.00 7.4100 5964.7 0.00016765 24.383 25.625 62.050 203.38 256.42 559.10 0.037255 0.00010030 0.090739 liquid -450.00 7.5100 5969.3 0.00016752 24.366 25.624 62.011 203.37 256.26 560.95 0.033787 0.00010054 0.090822 liquid -450.00 7.6100 5973.9 0.00016739 24.350 25.624 61.972 203.36 256.10 562.79 0.030372 0.00010078 0.090904 liquid -450.00 7.7100 5978.5 0.00016726 24.333 25.623 61.933 203.35 255.95 564.62 0.027010 0.00010103 0.090985 liquid -450.00 7.8100 5983.1 0.00016714 24.317 25.622 61.895 203.34 255.80 566.44 0.023698 0.00010127 0.091067 liquid -450.00 7.9100 5987.6 0.00016701 24.301 25.622 61.856 203.34 255.65 568.24 0.020437 0.00010151 0.091148 liquid -450.00 8.0100 5992.1 0.00016689 24.284 25.621 61.818 203.33 255.50 570.04 0.017224 0.00010175 0.091229 liquid -450.00 8.1100 5996.6 0.00016676 24.268 25.621 61.780 203.32 255.35 571.83 0.014059 0.00010199 0.091309 liquid -450.00 8.2100 6001.1 0.00016664 24.252 25.620 61.742 203.32 255.21 573.60 0.010941 0.00010222 0.091389 liquid -450.00 8.3100 6005.5 0.00016651 24.236 25.620 61.705 203.31 255.07 575.37 0.0078672 0.00010246 0.091469 liquid -450.00 8.4100 6009.9 0.00016639 24.221 25.620 61.667 203.30 254.93 577.13 0.0048381 0.00010270 0.091548 liquid -450.00 8.5100 6014.2 0.00016627 24.205 25.620 61.630 203.30 254.79 578.87 0.0018523 0.00010293 0.091628 liquid -450.00 8.6100 6018.5 0.00016615 24.189 25.620 61.593 203.29 254.65 580.61 -0.0010911 0.00010317 0.091707 liquid -450.00 8.7100 6022.8 0.00016603 24.174 25.620 61.556 203.28 254.52 582.34 -0.0039933 0.00010340 0.091785 liquid -450.00 8.8100 6027.1 0.00016592 24.158 25.620 61.520 203.28 254.39 584.05 -0.0068549 0.00010363 0.091864 liquid -450.00 8.9100 6031.4 0.00016580 24.143 25.620 61.484 203.27 254.26 585.76 -0.0096771 0.00010386 0.091942 liquid -450.00 9.0100 6035.6 0.00016568 24.128 25.621 61.447 203.27 254.13 587.46 -0.012461 0.00010409 0.092019 liquid -450.00 9.1100 6039.8 0.00016557 24.113 25.621 61.411 203.26 254.00 589.15 -0.015206 0.00010432 0.092097 liquid -450.00 9.2100 6043.9 0.00016546 24.098 25.621 61.375 203.26 253.87 590.83 -0.017915 0.00010455 0.092174 liquid -450.00 9.3100 6048.1 0.00016534 24.083 25.622 61.340 203.25 253.75 592.50 -0.020587 0.00010478 0.092251 liquid -450.00 9.4100 6052.2 0.00016523 24.068 25.622 61.304 203.24 253.63 594.17 -0.023224 0.00010501 0.092328 liquid -450.00 9.5100 6056.3 0.00016512 24.053 25.623 61.269 203.24 253.51 595.82 -0.025826 0.00010524 0.092404 liquid -450.00 9.6100 6060.3 0.00016501 24.038 25.624 61.234 203.24 253.39 597.47 -0.028394 0.00010546 0.092481 liquid -450.00 9.7100 6064.4 0.00016490 24.023 25.624 61.199 203.23 253.27 599.11 -0.030929 0.00010569 0.092557 liquid -450.00 9.8100 6068.4 0.00016479 24.009 25.625 61.164 203.23 253.15 600.74 -0.033431 0.00010591 0.092632 liquid -450.00 9.9100 6072.4 0.00016468 23.994 25.626 61.129 203.22 253.04 602.36 -0.035902 0.00010614 0.092708 liquid -450.00 10.010 6076.4 0.00016457 23.980 25.627 61.095 203.22 252.93 603.98 -0.038341 0.00010636 0.092783 liquid diff --git a/examples/pcsaft/parameter_adjustment/README.md b/examples/pcsaft/parameter_adjustment/README.md deleted file mode 100644 index 18911cd70..000000000 --- a/examples/pcsaft/parameter_adjustment/README.md +++ /dev/null @@ -1,5 +0,0 @@ -# Example notebooks for adjusting PC-SAFT parameters to experimental data - -- Adjust **PC-SAFT parameters** $m$, $\sigma$ and $\epsilon_k$ for a pure substance. [🠒 Notebook](adjust_non_polar_non_asssociating.ipynb) -- Adjust **binary PC-SAFT parameter** $k_{ij}$ to VLE data. [🠒 Notebook](adjust_kij.ipynb) -- Adjust **entropy scaling** correlation parameters for the viscosity of a pure substance using PC-SAFT. [🠒 Notebook](adjust_viscosity_correlation.ipynb) \ No newline at end of file diff --git a/examples/pcsaft/parameter_adjustment/adjust_kij.ipynb b/examples/pcsaft/parameter_adjustment/adjust_kij.ipynb deleted file mode 100644 index e45a5976e..000000000 --- a/examples/pcsaft/parameter_adjustment/adjust_kij.ipynb +++ /dev/null @@ -1,633 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "2a6eb367-6205-4244-a6cd-da994342e3d5", - "metadata": {}, - "source": [ - "# Adjusting PC-SAFT binary $k_{ij}$ parameter " - ] - }, - { - "cell_type": "markdown", - "id": "eb4e4769-2ea1-4241-a64f-742cd9147b82", - "metadata": {}, - "source": [ - "## Goal\n", - "\n", - "- Read in experimental data for binary VLEs\n", - "- Use the `DataSet`, `Loss` and `Estimator` objects to store and work with experimental data.\n", - "- Define a `cost` function that will be used with `scipy.optimize.least_squares`.\n", - "- Run the optimization." - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "5bbffc77-9ab5-4996-8980-a464c75959b9", - "metadata": {}, - "outputs": [], - "source": [ - "import numpy as np\n", - "import pandas as pd\n", - "from scipy.optimize import least_squares\n", - "import matplotlib.pyplot as plt\n", - "import seaborn as sns\n", - "from si_units import BAR, KELVIN, KILOGRAM, METER\n", - "\n", - "from feos.eos import EquationOfState, PhaseDiagram\n", - "from feos.pcsaft import Identifier, IdentifierOption, PcSaftParameters, PcSaftRecord, PureRecord\n", - "from feos.eos.estimator import Estimator, Loss, DataSet, Phase\n", - "\n", - "sns.set_context('talk')\n", - "sns.set_palette('Dark2')\n", - "sns.set_style('ticks')\n", - "colors = sns.palettes.color_palette('Dark2', 5)\n", - "plt.rcParams['figure.figsize'] = [12,7]" - ] - }, - { - "cell_type": "markdown", - "id": "ec15860d-6c4f-4fbc-bf8f-7243beee6226", - "metadata": {}, - "source": [ - "## Defining a cost function\n", - "\n", - "We will solve the fitting-problem using `scipy`'s `least_squares` solver, which requires a function to calculate the cost or residuals. The first argument of this function must be the parameter vector that's being optimized. Therefore, it is necessary to define this function in Python before working with `least_squares`.\n", - "\n", - "To simplify the process, we create two functions:\n", - "\n", - "- `eos_from_kij`: This function constructs the equation of state based on the current $k_{ij}$ value. Since FeO$_\\text{s}$ does not allow mutation of an existing `EquationOfState` object, generating a new equation of state is necessary. We can use this function later to generate the equation of state for the final parameter.\n", - "- `cost`: Taking the parameter and estimator (discussed below) as inputs, this function builds the equation of state, calculates the cost of the current model, and returns the result." - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "7d84054b-62d4-44eb-a548-e6d5e92cfb86", - "metadata": {}, - "outputs": [], - "source": [ - "def eos_from_kij(kij):\n", - " \"\"\"Returns equation of state (PC-SAFT) for current kij.\"\"\"\n", - " global parameters\n", - " p = PcSaftParameters.new_binary(parameters.pure_records, kij)\n", - " return EquationOfState.pcsaft(p)\n", - "\n", - "def cost(kij, estimator):\n", - " \"\"\"Calculates cost function for current parameters.\"\"\"\n", - " return estimator.cost(eos_from_kij(kij))" - ] - }, - { - "cell_type": "markdown", - "id": "0bd26bc1-5d56-4a55-a266-c5679e8e97bd", - "metadata": {}, - "source": [ - "### Utility function - plot experiment and prediciton\n", - "\n", - "The following function takes experimental data and a $k_{ij}$ value as input and produces a phase diagram depicting both experiment and prediction from the equation of state." - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "b809b90b-7ff4-44ca-9d2b-9b78fdf59a01", - "metadata": {}, - "outputs": [], - "source": [ - "def plot_comparison(data, kij):\n", - " \"\"\"Generates a plot for each experimental isotherm and PC-SAFT estimate\"\"\"\n", - " for i, (temperature, isotherm) in enumerate(data.groupby('t')):\n", - " # plot experiment\n", - " plt.plot(\n", - " isotherm.x1, isotherm.p, \n", - " color=colors[i], marker='s', linestyle=\"\",\n", - " label=f\"T = {temperature} K\"\n", - " )\n", - " plt.plot(\n", - " isotherm.y1, isotherm.p, \n", - " color=colors[i], marker='s', linestyle=\"\",\n", - " )\n", - "\n", - " # plot PC-SAFT\n", - " vle = PhaseDiagram.binary_vle(\n", - " eos_from_kij(kij), \n", - " temperature*KELVIN, \n", - " npoints=25\n", - " )\n", - " plt.plot(\n", - " vle.liquid.molefracs[:, 0], vle.liquid.pressure / BAR,\n", - " color=colors[i]\n", - " )\n", - " plt.plot(\n", - " vle.vapor.molefracs[:, 0], vle.vapor.pressure / BAR,\n", - " color=colors[i]\n", - " )\n", - "\n", - " plt.xlim(0, 1)\n", - " plt.ylim(0.1, 0.8)\n", - " plt.xlabel(r\"$x_1, y_1$\")\n", - " plt.ylabel(r\"$p$ / bar\")\n", - " plt.legend(\n", - " frameon=False, \n", - " title=r\"$k_{ij} = $\" + f\"{kij:8.4f}\",\n", - " bbox_to_anchor=[1,1]\n", - " );" - ] - }, - { - "cell_type": "markdown", - "id": "728613b1-fa04-4867-8237-4186faed328a", - "metadata": {}, - "source": [ - "## Experimental data\n", - "\n", - "We are using experimental data extracted from the openly available supplementary information of the work of [Jaubert et al.](https://doi.org/10.1021/acs.iecr.0c01734). We will be using the binary mixture of 2-propanol and 2,2,4-trimethylpentane as example." - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "28a94d65-5509-4104-bf0c-818988504e34", - "metadata": {}, - "outputs": [], - "source": [ - "data = pd.read_csv(\"data/binary_vle.csv\", delimiter=\"\\t\")" - ] - }, - { - "cell_type": "markdown", - "id": "c53e97dc-95db-485d-bf99-cb60e7e9658d", - "metadata": {}, - "source": [ - "## Compare to PC-SAFT prediction ($k_{ij} = 0.0$)\n", - "\n", - "Before we start, let's inspect how well PC-SAFT predicts this binary mixture. We will use the parameters by Esper et al." - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "23b05a20-63c8-47da-9915-3b9eef0b7cda", - "metadata": {}, - "outputs": [ - { - "data": { - "text/markdown": [ - "|component|molarweight|$m$|$\\sigma$|$\\varepsilon$|$\\mu$|$Q$|$\\kappa_{AB}$|$\\varepsilon_{AB}$|$N_A$|$N_B$|$N_C$|\n", - "|-|-|-|-|-|-|-|-|-|-|-|-|\n", - "|2-propanol|60.058|3.95902|2.93004|198.97045|-|-|0.03508|1898.4667|1|1|0|\n", - "|2,2,4-trimethylpentane|114.141|3.13984|4.08786|249.78239|-|-|-|-|0|0|0|" - ], - "text/plain": [ - "" - ] - }, - "execution_count": 5, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "parameters = PcSaftParameters.from_json([\"2-propanol\", \"2,2,4-trimethylpentane\"], \"../../../parameters/pcsaft/esper2023.json\")\n", - "pcsaft = EquationOfState.pcsaft(parameters)\n", - "parameters" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "aad85cf6-5a0a-4ce8-acb9-c3c9a8ab374e", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plot_comparison(data, 0.0)" - ] - }, - { - "cell_type": "markdown", - "id": "38ec44ea-f71d-4557-bc25-6e9d96983442", - "metadata": {}, - "source": [ - "## Build `DataSet` objects\n", - "\n", - "There is definitely room for improvement. Let's start with the `DataSet` object available in FeO$_\\text{s}$.\n", - "A `DataSet` serves as a storage unit for experimental data and also defines a cost function for that specific data set.\n", - "Below, we will use the `DataSet.binary_phase_diagram` constructor and provide temperature, pressures, as well as liquid and vapor mole fractions.\n", - "The `binary_phase_diagram` data set is one of three options - the others will be discussed below.\n", - "Importantly, this data set will use a *distance* criterion as cost function. I.e. the length of the vector that is orthogonal to the phase envelope and that connects to the experimental datum. \n", - "\n", - "Each `DataSet` with this constructor has to contain data for a *single* pressure or temperature. Here, we group the experimental data according to temperatures and end up with 3 `DataSet` objects - one for each temperature." - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "fea4598b-7d10-4256-9e71-56ea9844921b", - "metadata": {}, - "outputs": [], - "source": [ - "isotherms = [\n", - " DataSet.binary_phase_diagram(\n", - " temperature*KELVIN, \n", - " isotherm.p.values * BAR, \n", - " isotherm.x1.values,\n", - " isotherm.y1.values,\n", - " npoints=40\n", - " ) \n", - " for temperature, isotherm in data.groupby('t')\n", - "]" - ] - }, - { - "cell_type": "markdown", - "id": "d741aab4-cb51-4a91-8da2-76483e0cabc2", - "metadata": {}, - "source": [ - "## Build `Estimator` object\n", - "\n", - "Next, we use the `Estimator` object. The `Estimator` is a wrapper around multiple `DataSet`s and provides a convenient way to calculate the cost function of multiple `DataSet`s in one function call. Furthermore, we can use the `Estimator` to define weights between `DataSet`s and `Loss` objects for robust regression. In this example, all isotherms have the same weights (each weight is unity) and we perform a simple least squares optimization an thus use `Loss.linear`." - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "cec22449-afab-429a-aee0-a587f7c61570", - "metadata": {}, - "outputs": [], - "source": [ - "estimator = Estimator(isotherms, weights=[1]*3, losses=[Loss.linear()]*3)" - ] - }, - { - "cell_type": "markdown", - "id": "fb107c4c-a35d-423c-8e22-11983b23da3a", - "metadata": {}, - "source": [ - "## Run the optimization\n", - "\n", - "With that, we can perform the optimization. We set the initial $k_{ij}$ value to zero, the bounds to `[-0.5, 0.5]` and we provide the estimator as additional argument to the `cost` function defined on top of this notebook. Once the optimization successfully finished, we can inspect the results." - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "id": "e1e6ffea-0eb4-4fdd-995a-6a465326be57", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - " Iteration Total nfev Cost Cost reduction Step norm Optimality \n", - " 0 1 5.2773e-05 9.16e-04 \n", - " 1 2 2.5544e-06 5.02e-05 4.13e-02 1.85e-04 \n", - " 2 3 6.8459e-07 1.87e-06 8.62e-03 1.62e-05 \n", - " 3 4 6.6847e-07 1.61e-08 8.77e-04 4.85e-07 \n", - " 4 5 6.6846e-07 1.54e-11 2.79e-05 4.18e-08 \n", - " 5 6 6.6846e-07 1.11e-13 2.41e-06 4.95e-10 \n", - "`gtol` termination condition is satisfied.\n", - "Function evaluations 6, initial cost 5.2773e-05, final cost 6.6846e-07, first-order optimality 4.95e-10.\n", - "CPU times: user 470 ms, sys: 1.99 ms, total: 472 ms\n", - "Wall time: 474 ms\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "/tmp/ipykernel_2500868/2373019003.py:4: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", - " p = PcSaftParameters.new_binary(parameters.pure_records, kij)\n" - ] - } - ], - "source": [ - "%%time\n", - "initial_kij = [0.0]\n", - "fitted_kij = least_squares(cost, initial_kij, bounds=[-0.5, 0.5], args=(estimator,), verbose=2).x" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "id": "0f7e8b0f-3bb5-4038-807c-f44194a9c040", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plot_comparison(data, fitted_kij[0])" - ] - }, - { - "cell_type": "markdown", - "id": "f5c38595-ff70-43e5-bb03-f135cf223bdf", - "metadata": {}, - "source": [ - "# Using other target functions\n", - "\n", - "In the above example, we used `DataSet.binary_phase_diagram` which used the distance criterion as cost. In FeO$_{s}$, we provide two additional cost functions: difference in chemical potentials and difference in pressures." - ] - }, - { - "cell_type": "markdown", - "id": "e9707d8a-f5a0-457a-acc6-1886833477a5", - "metadata": {}, - "source": [ - "## Difference in chemical potentials given $T, p, x_1, y_1$\n", - "\n", - "The cost function of `DataSet.binary_vle_chemical_potential` is defined as difference of the chemical potentials of the vapor and liquid phase (for each substance) for given $\\{T, p, \\bar{y}\\}$ and $\\{T, p, \\bar{x}\\}$, respectively. " - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "id": "c068dd2d-b261-4fd3-87ef-11ef937ce989", - "metadata": {}, - "outputs": [], - "source": [ - "isotherms = [\n", - " DataSet.binary_vle_chemical_potential(\n", - " np.array([temperature]*len(isotherm)) *KELVIN, \n", - " isotherm.p.values * BAR, \n", - " isotherm.x1.values,\n", - " isotherm.y1.values,\n", - " ) \n", - " for temperature, isotherm in data.groupby('t')\n", - "]\n", - "estimator_mu = Estimator(isotherms, weights=[1]*3, losses=[Loss.linear()]*3)" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "id": "8a349ab6-b51c-487d-ae48-ca34b252089d", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - " Iteration Total nfev Cost Cost reduction Step norm Optimality \n", - " 0 1 1.2674e-03 2.39e-02 \n", - " 1 2 7.9041e-05 1.19e-03 4.56e-02 2.07e-03 \n", - " 2 3 6.7858e-05 1.12e-05 4.85e-03 2.37e-05 \n", - " 3 4 6.7856e-05 1.49e-09 5.67e-05 9.92e-09 \n", - "`gtol` termination condition is satisfied.\n", - "Function evaluations 4, initial cost 1.2674e-03, final cost 6.7856e-05, first-order optimality 9.92e-09.\n", - "CPU times: user 21.9 ms, sys: 0 ns, total: 21.9 ms\n", - "Wall time: 21.1 ms\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "/tmp/ipykernel_2500868/2373019003.py:4: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", - " p = PcSaftParameters.new_binary(parameters.pure_records, kij)\n" - ] - } - ], - "source": [ - "%%time\n", - "initial_kij = [0.0] # \n", - "fitted_kij_mu = least_squares(cost, initial_kij, bounds=[-0.5, 0.5], args=(estimator_mu,), verbose=2).x" - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "id": "c04615cb-807c-4fa2-9dfe-279d18f24983", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plot_comparison(data, fitted_kij_mu[0])" - ] - }, - { - "cell_type": "markdown", - "id": "5dce7aeb-26f9-43fb-b49d-4bd7ae5e2a2c", - "metadata": {}, - "source": [ - "## Difference in pressure given $\\{T, p, x_i\\}$ or $\\{T, p, y_i\\}$\n", - "\n", - "`DataSet.binary_vle_pressure` uses temperatures, pressures, mole fractions and a flag for the phase (`Phase.Liquid` or `Phase.Vapor`) as input. Depending on the phase it calculates the dew or bubble pressure for each data point. The cost is the difference between the dew/bubble pressure and the provided (input) pressure.\n", - "\n", - "Since we have information about both phases in our experimental data, we can construct 6 `DataSet`s (3 isotherms for 2 phases). Alternatively, we could have splitted the data into two `DataSet`s, one for each phase." - ] - }, - { - "cell_type": "code", - "execution_count": 14, - "id": "4e6f9a43-cd47-4996-81de-78147b8af713", - "metadata": {}, - "outputs": [], - "source": [ - "isotherms = [\n", - " [\n", - " DataSet.binary_vle_pressure(\n", - " np.array([temperature]*len(isotherm)) *KELVIN, \n", - " isotherm.p.values * BAR, \n", - " isotherm.x1.values,\n", - " Phase.Liquid\n", - " ),\n", - " DataSet.binary_vle_pressure(\n", - " np.array([temperature]*len(isotherm)) *KELVIN, \n", - " isotherm.p.values * BAR, \n", - " isotherm.y1.values,\n", - " Phase.Vapor\n", - " ),\n", - " ]\n", - " for temperature, isotherm in data.groupby('t')\n", - "]\n", - "\n", - "from itertools import chain\n", - "estimator_p = Estimator(list(chain.from_iterable(isotherms)), weights=[1]*6, losses=[Loss.linear()]*6)" - ] - }, - { - "cell_type": "code", - "execution_count": 15, - "id": "157a03af-7d98-479d-b44c-a79f6d737c2d", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "/tmp/ipykernel_2500868/2373019003.py:4: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", - " p = PcSaftParameters.new_binary(parameters.pure_records, kij)\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - " Iteration Total nfev Cost Cost reduction Step norm Optimality \n", - " 0 1 2.2123e-04 3.56e-03 \n", - " 1 2 8.2940e-06 2.13e-04 5.17e-02 1.51e-04 \n", - " 2 3 8.1416e-06 1.52e-07 1.13e-03 1.64e-06 \n", - " 3 4 8.1416e-06 2.73e-11 1.54e-05 4.11e-08 \n", - " 4 5 8.1416e-06 1.27e-14 3.15e-07 1.09e-09 \n", - "`gtol` termination condition is satisfied.\n", - "Function evaluations 5, initial cost 2.2123e-04, final cost 8.1416e-06, first-order optimality 1.09e-09.\n", - "CPU times: user 875 ms, sys: 7.91 ms, total: 883 ms\n", - "Wall time: 880 ms\n" - ] - } - ], - "source": [ - "%%time\n", - "initial_kij = [0.0] # \n", - "fitted_kij_p = least_squares(cost, initial_kij, bounds=[-0.5, 0.5], args=(estimator_p,), verbose=2).x" - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "id": "8833ef48-c0aa-420c-8f2a-a7e920946d7f", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plot_comparison(data, fitted_kij_p[0])" - ] - }, - { - "cell_type": "markdown", - "id": "1512c6fb-1727-48a3-a8e2-c724978c7662", - "metadata": {}, - "source": [ - "# Evaluating the results\n", - "\n", - "We end up with 3 slightly different values for $k_{ij}$.\n", - "Note that comparing the MARD values of the three different ways we created `DataSet`s is not very informative since each contains a different property that is predicted. E.g. the MARD of the chemical potential cost function contains the differences of chemical potentials of both phases and compares these values to zero. Finally, note that the MARD is not the metric that is minimized." - ] - }, - { - "cell_type": "code", - "execution_count": 17, - "id": "815c48a9-702d-4dc8-8ee0-4cd4b27a92f2", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Adjusted k_ij parameters and MARDs\n", - "MARD (distance, k_ij = 0.05082) = 1.302 %\n", - "MARD (chem. pot., k_ij = 0.05048) = 6.181 %\n", - "MARD (pressure, k_ij = 0.05056) = 3.092 %\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "/tmp/ipykernel_2500868/2373019003.py:4: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", - " p = PcSaftParameters.new_binary(parameters.pure_records, kij)\n" - ] - } - ], - "source": [ - "print(\"Adjusted k_ij parameters and MARDs\")\n", - "\n", - "mard_distance = estimator.mean_absolute_relative_difference(eos_from_kij(fitted_kij)) * 100\n", - "mard_mu = estimator_mu.mean_absolute_relative_difference(eos_from_kij(fitted_kij_mu)) * 100\n", - "mard_p = estimator_p.mean_absolute_relative_difference(eos_from_kij(fitted_kij_p)) * 100\n", - "print(f\"MARD (distance, k_ij = {fitted_kij[0]:>6.4}) = {mard_distance.mean():>8.4} %\")\n", - "print(f\"MARD (chem. pot., k_ij = {fitted_kij_mu[0]:>6.4}) = {mard_mu.mean():>8.4} %\")\n", - "print(f\"MARD (pressure, k_ij = {fitted_kij_p[0]:>6.4}) = {mard_p.mean():>8.4} %\")" - ] - }, - { - "cell_type": "markdown", - "id": "20d1f5b9-fc65-49c2-8eac-bbd07c662e70", - "metadata": {}, - "source": [ - "# Summary\n", - "\n", - "- The `Estimator` object in FeO$_\\text{s}$ allows the collection of `DataSet` objects for adjusting parameters.\n", - " - The `Estimator` takes a list of `DataSet` objects, weights, and `Loss` objects as inputs.\n", - " - It calculates the cost of a model where the cost function can be different for each `DataSet`.\n", - "- To work with `scipy`'s `least_squares` solver, a cost function is required.\n", - " - Two functions, `eos_from_kij` and `cost`, are built for this purpose.\n", - " - `eos_from_kij` constructs the parameters and equation of state for the current $k_{ij}$ value.\n", - " - `cost` calculates and returns the cost of the current model based on the parameters and estimator.\n", - "- An initial parameter guess and bounds are necessary for parameter adjustment.\n", - "- The `Estimator.mean_absolute_relative_difference` is probably is not the most instructive metric to judge the quality of the adjusted parameter. It's straight forward to calculate MARDs of composition or pressure/temperature with FeO$_\\text{s}$ which can be used to get an idea of the quality of the adjustment." - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/pcsaft/parameter_adjustment/adjust_non_polar_non_asssociating.ipynb b/examples/pcsaft/parameter_adjustment/adjust_non_polar_non_asssociating.ipynb deleted file mode 100644 index 04c48a32f..000000000 --- a/examples/pcsaft/parameter_adjustment/adjust_non_polar_non_asssociating.ipynb +++ /dev/null @@ -1,434 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "d2e9adfb-9962-40f7-8265-4861621e757e", - "metadata": {}, - "source": [ - "# Adjusting PC-SAFT parameters for a non-associating, non-polar substance" - ] - }, - { - "cell_type": "markdown", - "id": "4b54ad7f-d2ee-478c-8dd3-aebb2addec81", - "metadata": {}, - "source": [ - "## Goal\n", - "\n", - "- Read in experimental data for vapor pressure and liquid density of a pure substance.\n", - "- Use the `DataSet`, `Loss` and `Estimator` objects to store and work with experimental data.\n", - "- Define a `cost` function that will be used with `scipy.optimize.least_squares`.\n", - "- Run the optimization." - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "805bdfdb-d397-45a3-8354-082a8d13e4c1", - "metadata": {}, - "outputs": [], - "source": [ - "import numpy as np\n", - "import pandas as pd\n", - "from scipy.optimize import least_squares\n", - "import matplotlib.pyplot as plt\n", - "import seaborn as sns\n", - "from si_units import BAR, KELVIN, KILOGRAM, METER\n", - "\n", - "from feos.eos import EquationOfState, PhaseDiagram\n", - "from feos.pcsaft import Identifier, PcSaftParameters, PcSaftRecord, PureRecord\n", - "from feos.eos.estimator import Estimator, Loss, DataSet\n", - "\n", - "sns.set_context('talk')\n", - "sns.set_palette('Dark2')\n", - "sns.set_style('ticks')\n", - "colors = sns.palettes.color_palette('Dark2', 5)" - ] - }, - { - "cell_type": "markdown", - "id": "46c5a891-be8b-44d9-8f42-c84adf0cadb4", - "metadata": {}, - "source": [ - "# `DataSet` objects\n", - "\n", - "FeO$_\\text{s}$ provides a range of data structures that facilitate the adjustment of parameters. One such structure is the `DataSet`, which serves as a storage unit for experimental data. When working with a specific model, a `DataSet` enables the evaluation of a `cost` function. How this cost function is defined, depends on the property that you want to predict with your equation of state. In this notebook, we use vapor pressures and liquid densities and the cost functions are defined as the relative difference between the experimental data and the model prediction.\n", - "\n", - "A DataSet encompasses the following components:\n", - "\n", - "- The `target`: This refers to the experimental data associated with the property for which we intend to adjust parameters. In our case, these properties include vapor pressures and liquid densities. Additional options consist of dynamic properties used to adjust correlation parameters for entropy scaling or VLE (Vapor-Liquid Equilibrium) data of mixtures to fine-tune binary interaction parameters.\n", - "- Other properties: These are necessary for determining the thermodynamic conditions. For instance, temperature is required for vapor pressure calculations, while liquid density computations necessitate temperature and pressure.\n", - "- Each property available in FeO$_\\text{s}$ is accompanied by a corresponding DataSet constructor.\n", - "\n", - "Below, we load (pseudo) experimental data for hexane's vapor pressures and liquid densities. The data, taken from the NIST WebBook, incorporates simulated statistical uncertainties (e.g., measurement errors) by introducing Gaussian noise." - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "3c80cd76-4868-4b92-a654-287c7d65b875", - "metadata": {}, - "outputs": [], - "source": [ - "# read data from file into DataFrame\n", - "data_psat = pd.read_csv(\"data/hexane_vapor_pressure.csv\")\n", - "# construct a `DataSet` for vapor pressure\n", - "dataset_psat = DataSet.vapor_pressure(\n", - " target=data_psat[\"vapor_pressure / bar\"].values * BAR,\n", - " temperature=data_psat[\"temperature / K\"].values * KELVIN,\n", - " extrapolate=True\n", - ")" - ] - }, - { - "cell_type": "markdown", - "id": "30f51ce6-a910-4e6f-93d2-7c02d070143e", - "metadata": {}, - "source": [ - "For `DataSet.vapor_pressure` we have to supply the experimental data for vapor pressures and temperatures as input.\n", - "\n", - "Optional parameters are\n", - "- `extrapolate` which allows an extrapolation for experimental data above the model's critical temperature (using an Antoine-like equation),\n", - "- `critical_temperature` when the experimental critical temperature is known,\n", - "- `max_iter` to set the maximum number of iterations for the VLE solver, and\n", - "- `verbosity` to print the solver iterations to the terminal." - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "981aab8f-bd41-4939-a27a-02223c5a5ff0", - "metadata": {}, - "outputs": [], - "source": [ - "# read data from file into DataFrame\n", - "data_rhol = pd.read_csv(\"data/hexane_liquid_density.csv\")\n", - "# construct a `DataSet` for liquid density\n", - "dataset_rhol = DataSet.liquid_density(\n", - " target=data_rhol[\"density / kg/m3\"].values * KILOGRAM / METER**3,\n", - " temperature=data_rhol[\"temperature / K\"].values * KELVIN,\n", - " pressure=data_rhol[\"pressure / bar\"].values * BAR\n", - ")" - ] - }, - { - "cell_type": "markdown", - "id": "53e754f2-6a6f-415b-87f7-8a35e0c7d61b", - "metadata": {}, - "source": [ - "For `DataSet.liquid_density` we have to supply the experimental data for liquid mass densities, temperatures and pressures as input." - ] - }, - { - "cell_type": "markdown", - "id": "65c565d7-30a4-446a-8e22-0c225edeb88f", - "metadata": {}, - "source": [ - "# `Estimator` and `Loss` objects" - ] - }, - { - "cell_type": "markdown", - "id": "89312d88-4eba-4649-af06-a11d673a88b9", - "metadata": {}, - "source": [ - "To collect the `DataSet` objects for the properties we wish to adjust parameters for, we can assemble them into an `Estimator` object. The `Estimator` requires the following inputs:\n", - "\n", - "- A list of `DataSet` objects.\n", - "- A corresponding list of `weights`, with each weight assigned to a specific `DataSet`.\n", - "- A list of `losses`, where each `DataSet` has an associated loss function.\n", - "\n", - "The `Estimator` facilitates the calculation of the model's `cost`, which involves the following steps:\n", - "\n", - "1. Iterating through all `DataSets`: For each `DataSet`, the relative difference between the model's prediction and the experimental data is evaluated.\n", - "2. Application of a `Loss` function: The available `Loss` functions in FeO$_\\text{s}$ are identical to those found in [`scipy.optimize.least_squares`](https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.least_squares.html). Each property can have a different `Loss`. If `Loss.linear()` is used, the optimization simplifies to a regular least-squares problem.\n", - "3. Normalization: The relative differences (with the applied loss functions) are divided by the number of data points in each corresponding `DataSet`.\n", - "4. Weighted cost calculation: The costs of each `DataSet` are weighted based on the provided (normalized) `weights`.\n", - "\n", - "The following example demonstrates the construction of an estimator using vapor pressure and liquid density data. We utilize `weights = [3, 2]` (normalized `weights = [0.6, 0.4]`) and a `Loss.huber(0.05)` loss function, which treats predictions above 5% linearly in the cost function instead of squaring them (outlier treatment).\n" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "2e4c20fb-2415-43ac-87c4-68279dcb4e7d", - "metadata": {}, - "outputs": [], - "source": [ - "estimator = Estimator(\n", - " data=[dataset_psat, dataset_rhol],\n", - " weights=[3, 2],\n", - " losses=[Loss.huber(0.05), Loss.huber(0.05)]\n", - ")" - ] - }, - { - "cell_type": "markdown", - "id": "c49e1f8a-93f5-4981-b7ea-410b651058c8", - "metadata": {}, - "source": [ - "# Defining a cost function\n", - "\n", - "When using `scipy`'s `least_squares` solver, it requires a function to calculate the cost or residuals. The first argument of this function must be the parameter vector that's being optimized. Therefore, it is necessary to define this function in Python before working with `least_squares`.\n", - "\n", - "To simplify the process, we create two functions:\n", - "\n", - "- `eos_from_parameters`: This function constructs the parameters and equation of state based on the current parameter vector. Since FeO$_\\text{s}$ does not allow mutation of an existing `EquationOfState` object, generating a new equation of state is necessary. We can use this function later to generate the equation of state for the final parameters.\n", - "- `cost`: Taking the parameters and estimator as inputs, this function builds the equation of state, calculates the cost of the current model, and returns the result.\n", - "\n", - "These functions aid in the seamless integration of the solver, allowing for the generation of the equation of state and the calculation of the model's cost." - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "a61f8330-e31c-4d97-943d-6abe9fad9f1b", - "metadata": {}, - "outputs": [], - "source": [ - "# define things that are constant during optimization\n", - "identifier = Identifier(\n", - " cas=\"110-54-3\", \n", - " name=\"hexane\", \n", - " iupac_name=\"hexane\", \n", - " smiles=\"CCCCCC\", \n", - " inchi=\"InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3\", \n", - " formula=\"C6H14\"\n", - ")\n", - "molarweight = 86.177 # g / mol\n", - "\n", - "def eos_from_parameters(p):\n", - " \"\"\"Returns equation of state (PC-SAFT) for current parameters.\"\"\"\n", - " global identifier, molarweight\n", - " m, sigma, epsilon_k = p\n", - " model_record = PcSaftRecord(m, sigma, epsilon_k)\n", - " pure_record = PureRecord(identifier, molarweight, model_record)\n", - " parameters = PcSaftParameters.new_pure(pure_record)\n", - " return EquationOfState.pcsaft(parameters)\n", - "\n", - "def cost(p, estimator):\n", - " \"\"\"Calculates cost function for current parameters.\"\"\"\n", - " return estimator.cost(eos_from_parameters(p))" - ] - }, - { - "cell_type": "markdown", - "id": "b3d9f5f9-77ff-4523-a3ec-d7a3c05b829a", - "metadata": {}, - "source": [ - "# Adjust parameters\n", - "\n", - "To begin parameter adjustment, there are two additional requirements:\n", - "\n", - "1. An initial guess for the parameters.\n", - "2. Bounds for the parameters.\n", - "\n", - "It is crucial to note that trying multiple combinations of initial parameters is recommended to avoid getting stuck in a local minimum.\n", - "\n", - "Once these prerequisites are fulfilled, we can invoke `least_squares` with `args=(estimator, )` as an argument for the `cost` function. Please note that the tuple syntax is necessary in this case." - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "1309b82d-dd20-4e9c-987c-03167cf4a7b8", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - " Iteration Total nfev Cost Cost reduction Step norm Optimality \n", - " 0 1 9.6023e-05 1.11e-04 \n", - " 1 2 4.1622e-05 5.44e-05 5.08e+01 1.34e-03 \n", - " 2 3 6.2580e-06 3.54e-05 3.32e+00 1.84e-04 \n", - " 3 4 3.4028e-06 2.86e-06 1.40e+00 6.00e-06 \n", - " 4 5 3.2495e-06 1.53e-07 4.42e+00 5.86e-05 \n", - " 5 6 3.2206e-06 2.88e-08 1.05e+00 1.94e-05 \n", - " 6 7 3.2167e-06 3.91e-09 4.65e-01 5.20e-06 \n", - " 7 8 3.2164e-06 3.01e-10 1.33e-01 1.28e-06 \n", - " 8 9 3.2164e-06 1.82e-11 3.21e-02 3.01e-07 \n", - " 9 10 3.2164e-06 1.02e-12 7.61e-03 6.80e-08 \n", - " 10 11 3.2164e-06 5.45e-14 1.78e-03 1.54e-08 \n", - " 11 12 3.2164e-06 2.93e-15 4.12e-04 3.49e-09 \n", - "`gtol` termination condition is satisfied.\n", - "Function evaluations 12, initial cost 9.6023e-05, final cost 3.2164e-06, first-order optimality 3.49e-09.\n", - "CPU times: user 1.25 s, sys: 2.23 ms, total: 1.25 s\n", - "Wall time: 1.26 s\n" - ] - } - ], - "source": [ - "%%time\n", - "initial_parameters = [3.0, 3.0, 300.0] # m, sigma, epsilon_k\n", - "bounds = ([2.0, 2.0, 150.0], [8.0, 5.0, 500.0]) # ([lower bounds], [upper bounds])\n", - "fitted_parameters = least_squares(cost, initial_parameters, bounds=bounds, args=(estimator,), verbose=2).x" - ] - }, - { - "cell_type": "markdown", - "id": "c7810262-d26d-4a5a-8d3b-5b1d217a9eb5", - "metadata": {}, - "source": [ - "To provide statistics during the adjustment process, we can utilize the `verbose=2` option, which prints relevant information. However, our primary interest lies in obtaining the optimal parameters. These parameters can be accessed from the `x` field of the `OptimizeResult` object generated by the `least_squares` function.\n", - "\n", - "Once the adjustment is complete, we can investigate the results. A quick and straightforward method for analyzing the optimization results is to use the `Estimator.mean_absolute_relative_difference` method. This method returns the mean absolute relative difference (MARD) for each `DataSet`, without applying losses or weights. It is important to exercise caution when dealing with `NaN` values, as any predictions resulting in `NaN` are filtered out and thus not immediately visible in the reported values.\n", - "\n", - "It's essential to note that the resulting MARD **does not include** an evaluation of the loss functions or weights. Therefore, it does not equal the property that is minimized in the optimization process." - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "b266f557-40f5-43d6-82eb-f5c393a3b464", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Adjusted parameters\n", - "m = 3.024\n", - "sigma = 3.811 A\n", - "epsilon_k = 238.333 K\n", - "\n", - "MARD (including outliers)\n", - "p_sat = 6.3 %\n", - "rho_l = 0.93 %\n" - ] - } - ], - "source": [ - "print(\"Adjusted parameters\")\n", - "print(\"m = {:>8.4}\".format(fitted_parameters[0]))\n", - "print(\"sigma = {:>8.4} A\".format(fitted_parameters[1]))\n", - "print(\"epsilon_k = {:>8.6} K\".format(fitted_parameters[2]))\n", - "print(\"\")\n", - "\n", - "mard = estimator.mean_absolute_relative_difference(eos_from_parameters(fitted_parameters)) * 100\n", - "print(\"MARD (including outliers)\")\n", - "print(\"p_sat = {:<4.2} %\".format(mard[0]))\n", - "print(\"rho_l = {:<4.2} %\".format(mard[1]))" - ] - }, - { - "cell_type": "markdown", - "id": "342179f3-ca31-4ecf-8fa6-b58680ffd697", - "metadata": {}, - "source": [ - "# Plot resuts\n", - "\n", - "We can now use our results and calcuate the phase diagram and have a visual inspection of our parameters." - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "9a75d38a-8f73-402a-9558-e5f3582e982d", - "metadata": {}, - "outputs": [], - "source": [ - "phase_diagram = PhaseDiagram.pure(eos_from_parameters(fitted_parameters), 250.0 * KELVIN, 201)" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "id": "f8444e44-ca81-42f5-be85-543640490d89", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(1, 2, figsize=(15, 6))\n", - "ax[0].set_title(\"saturation pressure of hexane\")\n", - "\n", - "sns.lineplot(\n", - " y=phase_diagram.vapor.pressure / BAR,\n", - " x=1.0/phase_diagram.vapor.temperature * KELVIN,\n", - " ax=ax[0]\n", - ")\n", - "sns.scatterplot(\n", - " x=1.0 / data_psat[\"temperature / K\"], \n", - " y=data_psat[\"vapor_pressure / bar\"], \n", - " ax=ax[0],\n", - " color=colors[1]\n", - ")\n", - "ax[0].set_yscale('log')\n", - "ax[0].set_xlabel(r'$\\frac{1}{T}$ / K$^{-1}$');\n", - "ax[0].set_ylabel(r'$p$ / bar');\n", - "#ax[0].set_xlim()\n", - "#ax[0].set_ylim()\n", - "\n", - "ax[1].set_title(r\"$T$-$\\rho$-diagram of hexane\")\n", - "sns.lineplot(\n", - " y=phase_diagram.vapor.temperature / KELVIN,\n", - " x=phase_diagram.vapor.mass_density / KILOGRAM * METER**3,\n", - " ax=ax[1],\n", - " color=colors[0]\n", - ")\n", - "sns.lineplot(\n", - " y=phase_diagram.liquid.temperature / KELVIN,\n", - " x=phase_diagram.liquid.mass_density / KILOGRAM * METER**3,\n", - " ax=ax[1],\n", - " color=colors[0]\n", - ")\n", - "\n", - "ax[1].set_ylabel(r'$T$ / K');\n", - "ax[1].set_xlabel(r'$\\rho$ / kg m$^{-3}$');" - ] - }, - { - "cell_type": "markdown", - "id": "96c715a3-dd27-4afd-a146-c5c516e43ce7", - "metadata": {}, - "source": [ - "# Summary\n", - "\n", - "- The `Estimator` object in FeO$_\\text{s}$ allows the collection of `DataSet` objects for adjusting parameters.\n", - " - The `Estimator` takes a list of `DataSet` objects, weights, and `Loss` objects as inputs.\n", - " - In our example, it calculates the cost of a model by evaluating the relative difference between the model's prediction and experimental data in each `DataSet`.\n", - "- To work with `scipy`'s `least_squares` solver, a cost function is required.\n", - " - Two functions, `eos_from_parameters` and `cost`, are built for this purpose.\n", - " - `eos_from_parameters` constructs the parameters and equation of state for the current parameter vector.\n", - " - `cost` calculates and returns the cost of the current model based on the parameters and estimator.\n", - "- Initial parameter guesses and parameter bounds are necessary for parameter adjustment.\n", - " - Checking multiple combinations of initial parameters is recommended to avoid local minima (not shown in this notebook).\n", - "- In this example, the `Estimator.mean_absolute_relative_difference` method provides the mean absolute relative difference (MARD) for each `DataSet`, without applying losses or weights.\n", - " - The resulting MARD does not include the effects of loss functions or weights and does not represent the minimized property." - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/pcsaft/parameter_adjustment/adjust_viscosity_correlation.ipynb b/examples/pcsaft/parameter_adjustment/adjust_viscosity_correlation.ipynb deleted file mode 100644 index d61159e0e..000000000 --- a/examples/pcsaft/parameter_adjustment/adjust_viscosity_correlation.ipynb +++ /dev/null @@ -1,363 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "d2e9adfb-9962-40f7-8265-4861621e757e", - "metadata": {}, - "source": [ - "# Adjusting correlation parameters for entropy scaling of viscosity" - ] - }, - { - "cell_type": "markdown", - "id": "4b54ad7f-d2ee-478c-8dd3-aebb2addec81", - "metadata": {}, - "source": [ - "## Goal\n", - "\n", - "- Read in experimental data for viscosity of a pure substance.\n", - "- Use the `DataSet`, `Loss` and `Estimator` objects to store and work with experimental data.\n", - "- Define a `cost` function that will be used with `scipy.optimize.least_squares`.\n", - "- Run the optimization." - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "805bdfdb-d397-45a3-8354-082a8d13e4c1", - "metadata": {}, - "outputs": [], - "source": [ - "import numpy as np\n", - "import pandas as pd\n", - "from scipy.optimize import least_squares\n", - "import matplotlib.pyplot as plt\n", - "import seaborn as sns\n", - "from si_units import BAR, KELVIN, KILOGRAM, METER, MILLI, PASCAL, SECOND, RGAS\n", - "\n", - "from feos.eos import EquationOfState, State, Contributions\n", - "from feos.pcsaft import Identifier, PcSaftParameters, PcSaftRecord, PureRecord\n", - "from feos.eos.estimator import Estimator, Loss, DataSet, Phase\n", - "\n", - "sns.set_context('talk')\n", - "sns.set_palette('Dark2')\n", - "sns.set_style('ticks')\n", - "colors = sns.palettes.color_palette('Dark2', 5)\n", - "plt.rcParams['figure.figsize'] = [12,7]" - ] - }, - { - "cell_type": "markdown", - "id": "46c5a891-be8b-44d9-8f42-c84adf0cadb4", - "metadata": {}, - "source": [ - "# `DataSet` objects\n", - "\n", - "FeO$_\\text{s}$ provides a range of data structures that facilitate the adjustment of parameters. One such structure is the `DataSet`, which serves as a storage unit for experimental data. When working with a specific model, a `DataSet` enables the evaluation of a `cost` function. How this cost function is defined depends on the property that you want to predict with your equation of state. In this notebook, we use the viscosity where the cost function is the relative difference between the experimental data and the model prediction.\n", - "\n", - "A DataSet encompasses the following components:\n", - "\n", - "- The `target`: This refers to the experimental data associated with the property for which we intend to adjust parameters. In our case, this is the viscosity.\n", - "- Other properties: These are necessary for determining the thermodynamic conditions. For instance, temperature is required for vapor pressure calculations, while liquid density computations necessitate temperature and pressure. For the viscosity, we use pressure, temperature and the phase (liquid or vapor) as input.\n", - "- Each property available in FeO$_\\text{s}$ is accompanied by a corresponding DataSet constructor." - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "3c80cd76-4868-4b92-a654-287c7d65b875", - "metadata": {}, - "outputs": [], - "source": [ - "# read data from file into DataFrame\n", - "data = pd.read_csv(\"data/hexane_viscosity.csv\")\n", - "# map strings for phase to Phase objects\n", - "phase = [Phase.Vapor if p == 'vapor' else Phase.Liquid for p in data.phase]\n", - "\n", - "# construct a `DataSet` for vapor pressure\n", - "dataset = DataSet.viscosity(\n", - " target=data[\"viscosity / mPas\"].values * MILLI * PASCAL * SECOND,\n", - " temperature=data[\"temperature / K\"].values * KELVIN,\n", - " pressure=data[\"pressure / bar\"].values * BAR,\n", - " phase=phase\n", - ")" - ] - }, - { - "cell_type": "markdown", - "id": "30f51ce6-a910-4e6f-93d2-7c02d070143e", - "metadata": {}, - "source": [ - "For `DataSet.viscosity` we have to supply the experimental data for viscosity, temperature, and pressure.\n", - "\n", - "Optionally, a list of `Phase` objects can be supplied (via the `phase` argument) in which case not the stable phase is calculated for given temperature and pressure but the possibly instable phase according to the input phase." - ] - }, - { - "cell_type": "markdown", - "id": "65c565d7-30a4-446a-8e22-0c225edeb88f", - "metadata": {}, - "source": [ - "# `Estimator` and `Loss` objects" - ] - }, - { - "cell_type": "markdown", - "id": "89312d88-4eba-4649-af06-a11d673a88b9", - "metadata": {}, - "source": [ - "To collect the `DataSet` objects for the properties we wish to adjust parameters for, we can assemble them into an `Estimator` object. The `Estimator` requires the following inputs:\n", - "\n", - "- A list of `DataSet` objects.\n", - "- A corresponding list of `weights`, with each weight assigned to a specific `DataSet`.\n", - "- A list of `losses`, where each `DataSet` has an associated loss function.\n", - "\n", - "In our case, there is only a single `DataSet` so we can ignore the `weights`. Since our data comes from a correlation (from the NIST WebBook), we don't need a loss function." - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "2e4c20fb-2415-43ac-87c4-68279dcb4e7d", - "metadata": {}, - "outputs": [], - "source": [ - "estimator = Estimator(data=[dataset],weights=[1],losses=[Loss.linear()])" - ] - }, - { - "cell_type": "markdown", - "id": "c49e1f8a-93f5-4981-b7ea-410b651058c8", - "metadata": {}, - "source": [ - "# Defining a cost function\n", - "\n", - "When using `scipy`'s `least_squares` solver, it requires a function to calculate the cost or residuals. The first argument of this function must be the parameter vector that's being optimized. Therefore, it is necessary to define this function in Python before working with `least_squares`.\n", - "\n", - "To simplify the process, we create two functions:\n", - "\n", - "- `eos_from_parameters`: This function constructs the parameters and equation of state based on the current parameter vector. Since FeO$_\\text{s}$ does not allow mutation of an existing `EquationOfState` object, generating a new equation of state is necessary. We can use this function later to generate the equation of state for the final parameters.\n", - "- `cost`: Taking the parameters and estimator as inputs, this function builds the equation of state, calculates the cost of the current model, and returns the result.\n", - "\n", - "These functions aid in the seamless integration of the solver, allowing for the generation of the equation of state and the calculation of the model's cost." - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "8002fc42-49dd-4166-b85e-7c96f567fa8d", - "metadata": {}, - "outputs": [], - "source": [ - "# extract PC-SAFT parameters, identifier and molarweight, which are kept constant during optimization\n", - "hexane = PcSaftParameters.from_json([\"hexane\"], \"../../../parameters/pcsaft/esper2023.json\").pure_records[0]\n", - "identifier = hexane.identifier\n", - "saft = hexane.model_record\n", - "mw = hexane.molarweight\n", - "m, sigma, epsilon_k = saft.m, saft.sigma, saft.epsilon_k\n", - "\n", - "def eos_from_parameters(c):\n", - " \"\"\"Returns equation of state (PC-SAFT) for current parameters.\"\"\"\n", - " global m, sigma, epsilon_k, identifier, mw\n", - " model_record = PcSaftRecord(m, sigma, epsilon_k, viscosity=c)\n", - " pure_record = PureRecord(identifier, mw, model_record)\n", - " parameters = PcSaftParameters.from_records([pure_record])\n", - " return EquationOfState.pcsaft(parameters)\n", - "\n", - "def cost(p, estimator):\n", - " \"\"\"Calculates cost function for current parameters.\"\"\"\n", - " return estimator.cost(eos_from_parameters(p))" - ] - }, - { - "cell_type": "markdown", - "id": "b3d9f5f9-77ff-4523-a3ec-d7a3c05b829a", - "metadata": {}, - "source": [ - "# Adjust parameters\n", - "\n", - "To begin parameter adjustment, there are two additional requirements:\n", - "\n", - "1. An initial guess for the parameters.\n", - "2. Bounds for the parameters.\n", - "\n", - "It is crucial to note that trying multiple combinations of initial parameters is recommended to avoid getting stuck in a local minimum.\n", - "\n", - "Once these prerequisites are fulfilled, we can invoke `least_squares` with `args=(estimator, )` as an argument for the `cost` function. Please note that the tuple syntax is necessary in this case." - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "1309b82d-dd20-4e9c-987c-03167cf4a7b8", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - " Iteration Total nfev Cost Cost reduction Step norm Optimality \n", - " 0 1 4.7163e-03 6.45e-03 \n", - " 1 2 4.5509e-04 4.26e-03 1.00e+00 2.23e-03 \n", - " 2 3 1.6840e-05 4.38e-04 1.75e+00 2.57e-04 \n", - " 3 4 1.6086e-07 1.67e-05 1.21e+00 1.39e-05 \n", - " 4 5 8.4360e-08 7.65e-08 2.34e-01 7.53e-08 \n", - " 5 6 8.4357e-08 3.66e-12 4.59e-03 2.37e-11 \n", - "`gtol` termination condition is satisfied.\n", - "Function evaluations 6, initial cost 4.7163e-03, final cost 8.4357e-08, first-order optimality 2.37e-11.\n", - "CPU times: user 59.3 ms, sys: 6.51 ms, total: 65.8 ms\n", - "Wall time: 64.5 ms\n" - ] - } - ], - "source": [ - "%%time\n", - "initial_parameters = [0.0]*4 \n", - "fitted_parameters = least_squares(cost, initial_parameters, args=(estimator,), verbose=2).x" - ] - }, - { - "cell_type": "markdown", - "id": "c7810262-d26d-4a5a-8d3b-5b1d217a9eb5", - "metadata": {}, - "source": [ - "To provide statistics during the adjustment process, we can utilize the `verbose=2` option, which prints relevant information. However, our primary interest lies in obtaining the optimal parameters. These parameters can be accessed from the `x` field of the `OptimizeResult` object generated by the `least_squares` function.\n", - "\n", - "Once the adjustment is complete, we can investigate the results. A quick and straightforward method for analyzing the optimization results is to use the `Estimator.mean_absolute_relative_difference` method. This method returns the mean absolute relative difference (MARD) for each `DataSet`, without applying losses or weights. It is important to exercise caution when dealing with `NaN` values, as any predictions resulting in `NaN` are filtered out and thus not immediately visible in the reported values.\n", - "\n", - "It's essential to note that the resulting MARD **does not include** an evaluation of the loss functions or weights. Therefore, it may not equal the property that is minimized in the optimization process." - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "b266f557-40f5-43d6-82eb-f5c393a3b464", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Adjusted correlation parameters\n", - "c = [-1.20010418 -2.15742133 0.24509729 0.21828778]\n", - "MARD = 0.2038 %\n" - ] - } - ], - "source": [ - "print(\"Adjusted correlation parameters\")\n", - "print(\"c = {}\".format(fitted_parameters))\n", - "\n", - "mard = estimator.mean_absolute_relative_difference(eos_from_parameters(fitted_parameters)) * 100\n", - "print(\"MARD = {:<5.4} %\".format(mard[0]))" - ] - }, - { - "cell_type": "markdown", - "id": "342179f3-ca31-4ecf-8fa6-b58680ffd697", - "metadata": {}, - "source": [ - "# Plot resuts\n", - "\n", - "We can now use our results and calcuate the phase diagram and have a visual inspection of our parameters. Here, we calculate the reduced logarithmic viscosity to use the entropy scaled depiction." - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "4569e7a0-54ec-4fb7-b735-1dbb4dca268a", - "metadata": {}, - "outputs": [], - "source": [ - "fitted_eos = eos_from_parameters(fitted_parameters)\n", - "results = []\n", - "for _, (t, p, viscosity, phase) in data.iterrows():\n", - " s = State(fitted_eos, temperature=t*KELVIN, pressure=p*BAR, density_initialization=phase)\n", - " results.append({\n", - " 's_res': s.molar_entropy(Contributions.Residual) / RGAS / m,\n", - " 'ln_eta_nist': np.log(viscosity * MILLI * PASCAL * SECOND / s.viscosity_reference()),\n", - " 'ln_eta_saft': s.ln_viscosity_reduced(),\n", - " 'temperature': t,\n", - " 'pressure': p,\n", - " })\n", - " \n", - "# collect into DataFrame\n", - "results_df = pd.DataFrame(results)" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "90dca269-a213-4b2b-aff2-f006b4f522e2", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "iVBORw0KGgoAAAANSUhEUgAAAbYAAAEhCAYAAAATaoWLAAAAOXRFWHRTb2Z0d2FyZQBNYXRwbG90bGliIHZlcnNpb24zLjkuMywgaHR0cHM6Ly9tYXRwbG90bGliLm9yZy/GU6VOAAAACXBIWXMAAAsTAAALEwEAmpwYAABPaUlEQVR4nO3deZxN9f/A8dedfd/MGDOYGaRP9m2EoqSoLEVKyRctSvFL+0YoUWmRb6lvCyKiJJUlJSRtSFlTHwkzxmzMvq/398e5M11jxuxzZ3k/Hw+PM875nHPe98yd+76f5XyOyWw2I4QQQjQWdrYOQAghhKhJktiEEEI0KpLYhBBCNCqS2IQQQjQqktiEEEI0Kg62DqCpUUrlY3yhSLV1LEII0YB4AYVa63LzliS2umcHmDw9Pb1tHYgQQjQUaWlpUMFWRklsdS/V09PTe+/evbaOQwghGozw8HDS0tIq1NIlfWxCCCEaFUlsQgghGhVJbEIIIRoVSWxCCCEaFRk80kCk52STkJPB15F/oJPiUL6BXBfSiWbO7ng4u9g6PCGEqDcksTUA6TnZ7I4/wT3bV5JbWFC8fv5v3/DeoP/Q1S8YNwdnSXBCCIE0RTYICTkZxUnNZPWYodzCAu7dvpKsgnzis1OJz0ghJz/PhpEKIYTtSWJrAL6O/IPcwgIuSY1m44//5Y19H9Ex5TRgJLfNkX/g7eRGVkE+cVlpJGVl2DhiIYSwHUlsDYBOigPAuTAf18I8OqdGs2j/Kp45soHA7BT+ToonOSeLlNws3B2cSMnLIj4jhZTsTBtHLoQQdU/62BqAi30CATjgE8JD3W5jyj/fcXF6HIPO/MXlCceIIYOEkEvw8mxGck4WdiYThUB0ZjI5BXk42zvi7eJm2xchhBB1RGpsDcB1oR1xsrMH4KBPa+7vOZ6X1PWcdfLAuTCfsN0f4fHK1RTsWk1CZipO9vYk52QR5OZDVkE+CTnp0v8mhGgyJLE1AC72jrx71X+Kk5vZZGJLi87c3fdeUgbeB44uOKSfxXHN4zi/eQNZ+gdyC/JJyc3mVHoSzVw8yCrI53RGCnGS4IQQjZw0RTYAvs5uhHj4snXkQ2yJ/JO/k+No7xPIkJAOpOfmkH7ZODy/WYD5t89xjfmLwjdHQefriLruMcy+rUjOySYlN4tQTz+ScjJJSk3A19kVH2c3nB0cbf3yhBCiRkmNrQFwdnAkzKsZjnb2dPNvxci23enkF0RuQQF+Lu4EtexI1m0LyZi6FlNoDwBcDn+N3+vX4/HtQiLPRuJkZ09yTjYZebl4ObmQVZDHidQEGWAihGh0pMbWQDg7ONLa049AVy/yzYUUFBaQmpvN8dSzBLh64ufijumSgcS26ob7oa8o2DAXx7QzuO94B4e9a8kfMYOIjtfS3N2L1NxsknIyjRpcbiY5BXl4S+1N2MC6det4+umncXFxYevWrQQEBJyz/cYbb8TLy4sVK1YAoJRiwoQJzJgxo7hMVFQUb731Fr/++itxcXF4eXkRFhZGnz59mDZtWvE5ynPppZcWn0c0bJLYGhgnBwecgMzcHJq5uuPl5Epidga/nYmkm38rgjz9+O2iAbg9uImWu1fCd+/inH4WVj+Ma1BH8m5+EXNId/ItiTEpJ5Mwr2aczkjB18kVX1d3W79E0QRlZ2ezZMkSnnrqqUrtFxERwc0334yzszOjR4+mVatWxMfHc+TIEd5//32mTZtG7969efnll88516xZsxg8eDCDBw8uXu/v719jr0fYliS2BsrNydn4wZxLC3cvBjhdxOHEaI4kxnBdaCec7Oz5rd8deHQdTqttb2LevwHvmCPw5o1k9RyF3eCHyXVyJb+wgJScLAJcPUjKzSSvMF+m5xJ1rkOHDnz88cfcc889NGvWrML7LVu2jKysLL744gtatmx5zraEhAQAWrduTevWrYvXp6amMmvWLJRS3HjjjTXzAkS9In1sDZyLoxPODo642DvQJzCMWy7qRWRaIutPHKSrfys6tA3nrxueI+7uZRDcEQDX3z/Hf+H15G97E/JzybWMmMzMz6UQOJWRKLcHiDo1efJkcnNzWbJkSaX2i4yMJDg4+LykBlQqQYrGRRJbI+Hm5IyzgyOuDg70a9GGsRf3JiItkS+OH6CrfytCuw4l7YEvKLz5RczufphyMvD4+lWaL7qR7ENf809KPA4mO6LSkwly8yFTbg8QdSgsLIxhw4axevVqEhMTK7xfy5YtOX36NHv27KnF6ERDI4mtkXFzdCYnPx8wo3wCuTK4PfvPRlFogiBPPxwvv4P0x7ZSOOAuzHb2mM6cwOfDyQSunEpe7DESstNJyc0mKj0JbycXMvJzZfRkI5STn8fp9CQ+OPIzj/64lg+O/Mzp9CSbfom5//77yc7O5oMPPqjwPuPHj8fBwYEJEyYwatQoXnjhBbZt20Z2dnYtRirqO0lsjZCHswvezm54O7kQ5t2My1q0JT4zlV/jI7G3tycoIATHm+aR+eBGzO37A+B/YjdOrw3G85sFRJ6NwGw2FzdPejm5kJCTQVxGCuk58oHR0OXk57Er7gQDPnuVmbvX88nfe5m5ez0DPnuVXXEnbJbc2rZty9ChQ1m5ciXJyckV2qd9+/Z88cUXjBgxgqioKJYvX86UKVO47LLLWLt2be0GLOotSWyNmIujE64OTng6OtPFv+V5Ca55u95sG/YsZ257HfxaYyrIw//nZfi8di0uBzbwT3IcDiY7ojNSiM1Mlf63RuJsdjp3bl1+zrP9wHhSxJ1bl3M223ZPh5gyZUqla21t2rThlVdeYdeuXaxfv55HHnkEe3t7ZsyYwS+//FKL0Yr6qkmMilRKBQEPAn2AcMADuEprvaOC+3cAXgf6A7nABuBRrfXZWgm4hrk4OgFgLjTTxb8lLbN82RN/grjMNIa17YqpTVdOdRiE149LcfzuXZwzEnBe8zjmll3IG/MyCT4tcXNw4nR6MmGefqTn55KYmkCQm5dMrtwAbYn887ykViS3sIAtkUe4s+NldRyVoV27dlx//fWsXLmSu+66q1L72tvbo5RCKUX37t2ZMGEC69evp1+/frUUraivmkqNTQFPAq2Ag5XaUalWwE6gHTAdeBUYAWxRSjWoO5rdnJyxw4SXkzOXB7XjyuD27DsTSWZBHqF+LTnZbyIx09Zj7joUAJ/Th3BaOAzvDc9jykwmITud6MxUotKT8HdxJyEnQ2pvDdDhxOgLbj9SzvbaNmXKFDIzM1m+fHmVj9G5c2cA4uPjayos0YA0lcT2G+CvtW4PvFLJfacDrsBArfUbWusXgDFAD2B8zYZZ+5wdHPF0dsXDwZlQLz/6tWhHfFYaG08eoot/Ky5u25NtVz9K3B3vQ2B7TOZC/PZ+SsDCobj8+in/JMdiNpuJzkwlNjOVApDBJQ1MZ7/gC27vWM722nbRRRdx7bXX8uGHH5KWlnbBsnv37iUv7/wvVt9//z1gNFOKpqdJNEVqrS/813Fho4H1WuvTVsfbqpQ6ipHgllY3Plv49wZv6B0YSjuvgH+bJ9t0wRTWhVPt+uG5axXOW9/AlJFI0Mbncd/7Kfmjnucf/zb4u3gUN08m5GRQaDbLzCUNwJCQDjz/66ZSmyOd7OwZEtLBBlGda8qUKXz99dekpaWVeo9akffff58//viDwYMHo5QC4MiRI3zxxRf4+PgwceLEugpZ1CNNpcZWJUqplkBzYG8pm/dg1NoatAs2T/oE4n7NAyQ+vJm8niMB8Ir9C793xuD7xWxMGUnFzZOxmalkF+bLqMkGwN/Fgw+umVj8GKQiTnb2fHDNRPxdPGwU2b8uvvhihgwZUm65yZMnM2TIEPbu3curr77K3Llz+eGHHxg2bBhr1649Z8YR0XSYzGazrWOoU0qpkcDnVGDwiFIqHPgVuF1rvbrEtpeBxwEHrXWB1frkckLw9vT0ZO/e0nKlbeXm55NbmE+a5Tlu0RnJXOIbhJujExuPH6RL6mmab34JU/QRAMyu3sReNZXEniPxd/XC1cGJtt7++LlIra2+y8nP42x2Blsij3AkMZqOfsEMCemIv4u7TIYt6qXw8HDS0tJStNY+5ZVtEk2R1eBqWeaUsi3bqkx63YRTu4wJlh2ww4SHnwv+Lh4cSIgiLjONoW264GjXjfUeLejx93f4bn8LU1YKQV+9gOv+9eSPeZkE31Y42ztIYmsAnB0caenhY7PRj0LUJklsF5ZlWTqXss2lRBkAyvs2YanReVc3sNpU1P9mj4kgj04kZmUW979d364bBWFdiOs2HO8tC3D87TN8og9jXjSKgoH3cazP7XTxL7tPRAghapv0sV1YjGUZVMq2ICDeuhmysSnqf3NzdKS7f2t6BrRm/5lT5JkLaRV8Md9fMYW4ie9T6NsKU34OgVv/S+slE8k5/YetQxdCNGGS2C7AMhLyDMZN3SVdCuyv04BswNnBEV8XdwJcPOjgF0SXZq34MymGr04eZmibzgR3H07CtPXk9jPufPCK/YvI2eEkrH8Bs9zfJoSwAUlsVpRS7ZRS7Uqs/gy4wTJCsqjc1cDFwKd1GZ8teTi74GRnj5+L23m1t9b+rdnZ9w7i716OfUBbzPm5JKybSeTz/ciO2G/r0IUQTUyT6WNTSj1j+bHoJp3xSqn+QLLWepFl3TbLMsxq1xeAW4DvlFJvYkzH9ThwAPiwVoOuZ5wdHI1/dg4EuHoUDy6Jz0pjeNuu+Dn1xe3Sm0hYN4ukLQvJidhH5Jw++A17imY3zMDk4GTrlyCEaAKaTGIDni/x/6KJ6CKARZRBa31KKXUlsAB4CWOuyI3AI1rr3NoItL4rGlzi4eRCW5+A87YHjH0Vj96jiVsyidyYv0hcP5f037+gxd1LcGlTWquuEELUnCZ3H5utKaWSPT09vevjfWw1rTA3m4Qv55D01StgLgSTHb7XP0azkbOxc3Ip/wBCCGFRmfvYpI9N1Bo7JxcCbnmBkFm/4NSqM5gLSfrqZSJn9yLrmDxORAhROySxiVrn0iac0Gd/xe/GmWDvQG7MX5yaN4D41Y9SmCOTJwshapYkNlEnTA5O+I96lpBZu3EO7QFmM8nfLCRiZncy//re1uEJIRoRSWyiTrmEdidk5i80u+l5TA5O5MX/Q9RLg4hb8QCF2Y1iZjIhGpSnnnqKQYMGFf8/KioKpRTr1q2zYVTVI4lN1DmTgyPNbphOyHN7cWl7KQAp297m5IyuZPyx1cbRiYZu9erVDfpDWVSfJDZhM84tO9F6xg/4j5mPycGZ/IQITr9yLXEfTKYgM8XW4YkG6uOPP+bzzz+3dRgNVsuWLTl48CA33nijrUOpMklswqZM9g74DX2M0Of34dL+cgBSvl9MxDNdyTi42cbRicYuM1MGL5VkMplwdnbG3t6+/ML1lCQ2US84BSlaP/0dAeMWYnJyIz8xitMLhhP7/h0UZCTZOjxRi2JiYnjiiSfo168fnTt3ZsSIEWzcuPGcMuvWrUMpxf79+5k3bx59+/ale/fuTJ06lcTExOJygwYN4q+//mLPnj0opVBKMX78+HOOsXfvXmbNmkWfPn0YPnx48b4rV67k+uuvp3PnzlxxxRW89NJLZGWd8/AOBg0axJQpU/j++++54YYb6NKlCyNGjOD77/8dALVr1y6UUnz77bfnvdY1a9aglOLYsWNlXo+8vDwWLVrEkCFD6NKlC3369GHs2LH89NNP55Tbt28fkyZNIjw8nB49ejBy5Eg+/fTfWf727t3LtGnTGDhwIJ07d+bKK6/khRdeIDv7wg8DLq2P7amnniI8PJyYmBjuu+8+evToQd++fZk/fz4FBefOA5+UlMTjjz9Oz549CQ8P58knn+Svv/6q0367pjTziKjnTHb2+A5+APduQ4lbei9Zf+0g9acVZBz+lsCJb+PRs+E2jYjSxcfHM2bMGBwdHZkwYQLe3t5s27aNRx99lNzcXG666aZzyj/33HP4+PjwwAMPEBUVxfLly5kzZw4LFy4EYPr06cybNw8XFxfuu+8+APz9/c85xuzZswkICGDatGnk5RkTdb/55pssWrSI/v37M27cOI4ePcqyZcs4evQoS5YswWQyFe9//PhxHn/8ccaOHcuoUaP49NNPmTJlCitWrKBnz5706dOHoKAgNmzYwODBg88594YNG+jYsSMXXXRRmddk0aJFLFmyhNtvv5327duTlpbGoUOH+OOPP7j8cqNVY+fOnUyZMoXAwEDuuOMOmjVrhtaaHTt2cMsttwDw9ddfk52dzdixY/Hx8eHgwYOsXLmS2NhY3njjjUr/rvLz87nrrrvo2bMnTzzxBD///DNLly6ldevW3H777QAUFhZy//33c/DgQW6//XbatGnDtm3bePLJJyt9vuqQxCbqHafm7Wj1xLek7HiPM2uepCAllug3bsKzz600/88b2Hv6l3+QJsCcn0d+0mlbh4GDb0tMVXzq9sKFC7Gzs+OLL77Ay8sLgNtvv51JkyaxYMECRo4ciZ3dvw1Lfn5+LF68uDjRFBYWsmLFCtLS0vD09OSaa67hzTffxMvLq8w+Ij8/P5YuXVp83MTERN59912uvPJK3n333eJjt2rVitdee43vvvvunFGDJ06c4H//+1/xuptuuokhQ4bw+uuvs2LFCkwmEyNGjGD58uWkp6fj4eEBGDXTX3/9tdwP+aLkNH369FK3FxQU8Oyzz9KiRQs+//xzPD09i7dZzyT12GOP4eLy7ww/t956K6GhoSxYsIDo6GiCg4MvGEdJWVlZjBw5ksmTJwMUJ/a1a9cWJ7atW7eyb98+Zs2axbhx44rL3XnnnZU6V3VJYhP1ksnODp9B9+He9Xrilk0m8/C3pO3+hMwj22k+/g08et9yzrfopsacn8fJ6Z3Ii//H1qHg2LwdYS/8UenkZjab+fbbbxk+fDj5+fnnNCkOGDCAH374gRMnTtCu3b8P3LjtttvO+b2Hh4ezbNkyTp8+zSWXXFKh844ZM+acZPnzzz+Tl5fHxIkTzzn2uHHjeOONN9ixY8c5iS04OPic/3t7ezN8+HBWrVpFZmYmbm5ujBw5kvfee48tW7YU1zo3btyIyWRi2LBhF4zPy8uLAwcOEBsbS4sWLc7b/scff3D69Glmzpx5TlIDzonfOqllZmaSnZ1Njx49MJvNHDlypNKJDYzkaK1Xr16sX7+++P8//PADTk5O3HzzzcXr7OzsGDduHLt27ar0+apKEpuo1xz9Q2n56GZSf/iAM6sfoyDtDDFvj8Wj1xqaT3gLB+9AW4coqigxMZHU1FRWrVrFqlWrSi2TlHRu/2pQ0LnP/C2q5aWmplb4vK1atTrn/9HR0QC0adPmnPXu7u40b968eHuRkJCQ844ZGhpKYWEhMTExtGvXjnbt2tGpUyc2btxYnNg2bNhA3759ad68+QXjmzZtGlOmTGHgwIF07NiRAQMGMGLEiOLmy6ioKADat29/weNER0fzxhtvsH37dlJSzh1lnJ5e+XtG3dzc8PHxOWedt7f3OceOjo4mMDAQZ2fnc8qVds1qkyQ2Ue+ZTCa8r7gLty7XEr/sPjIOfEX6b5+T+df3NB/3Op79xjW52pvJwZGwF/5o0E2RhYWFgNGUN2LEiFLLlPzwLmukXmUmc7euydSmkSNH8tJLL3H27FkSExPRWvPSSy+Vu1/v3r359ttv2b59Oz/99BOrV69m8eLFzJkzh9GjR1fo3AUFBdx5552kpKQwadIk2rZti5ubG3FxcTz11FPF174yGtIoSUlsosFw9G1J8EPrSfvlI+I/eojCjERi35tI2u41NL/jfzj6tiz/II2IycERx4AwW4dRZX5+fri7u2M2m7nssstq7LiV/ZJT1CR34sSJc5rnMjMziY+Pp3///ueUj4yMPO8YERER2NnZnVOjHD58OPPnz2fTpk2cPXsWFxeX8waTlMXHx4ebbrqJm266iczMTMaPH88bb7zB6NGjad26NQB///03ffr0KXX/o0ePcvLkSebPn8/IkSOL15ccWVnTgoOD2bNnDzk5OefU2kq7ZrVJhvuLBsVkMuF12X8Im3cYj16jAMg4sImI6V1I2bm0Ut/chW3Z29szePBgvvrqK44fP37edus+t8pwdXWtVNPkZZddhqOjIytWrDjn/bNq1Sry8vIYOHDgOeWjo6PZvn178f9TUlLYuHEj4eHhuLm5Fa/38/NjwIABbNiwgU2bNjFo0KDigSQXUrL51c3NjbCwMHJycgDo2LEjLVu2ZNmyZaSlpZ1Ttij+oj5E69djNpv58MPafTZy//79yc3NZe3atcXrCgsL+eijj2r1vCVJjU00SA4+LQj6v09J//VT4lc8QEHaWeKW3kPanjUE3vkejs3qtk1fVM2jjz7K7t27GT16NLfeeitt27YlKSmJQ4cOceTIkXMSSEV16tSJlStX8vbbbxMaGoqfnx/9+vUrs7yfnx+TJ09m0aJF3HvvvQwcOJCjR4+yZs0aLr/8cq666qpzyrdp04annnqKsWPH4uvry5o1a0hPT+fBBx8879g33HADDz/8MAAzZ86sUPzDhg2jd+/edO7cGR8fHw4fPsxXX31VPMrQ3t6e2bNnM2XKFEaOHMmoUaPw9/fn2LFjxMbGsmjRItq2bUtISAjz588nLi4ODw8Pvvnmm0ol/Kq45ppr6Nq1K/PmzePEiRO0adPmnD6+uuoykMQmGiyTyYTnpWNwveQqznz0oDFq8vC3nJzRhYAx8/EeeC8mO2mUqM+aN2/Op59+yqJFi9i8eTMJCQn4+PiglCo1UVTE/fffT1RUFIsXLyYjI4NLL730gokN4IEHHsDHx4ePPvqIF198EV9fXyZMmMCDDz543odx27Ztefrpp3n11Vc5efIkoaGhLFq0iPDw858Of/XVV+Pp6YmDgwMDBgyoUPzjx49n+/bt/Pzzz+Tm5hIcHMyDDz7I3XffXVzmyiuvZNmyZcX3vAGEhYUVJz9HR0feeecd5s6dy7vvvouzszODBw9m3LhxtTpVlr29Pe+++y7z5s1j3bp12NnZMXjwYKZOncrYsWPPG1RSW+QJ2nWsKT1Bu66l//YFcR9OpSAlFgDXDlcReOd7ODVva+PIRGMxaNAgLrnkEt5+++0Klc/Ly6N///4MGzaMWbNm1XJ09dfWrVuZOnUqq1atolevXlU6hjxBWzRJHr1GEjbvEF6XG1MoZf35HRHPdCPp2zcxV2EUmBDVtWXLFpKTkxv0hMKVVXLKroKCAlasWIGHhwedOnWqkxikKVI0KvYefrS4Zxkel44hftl95Ced5sxHD5G251Na3L0YpxYX2zpE0QQcOHAArTWLFi2ie/fudOvWzdYh1ZnnnnuOvLw8unfvTm5uLlu2bGHfvn088sgjdXarhdTYRKPk0W0oofMO4X3lJACy//6JiJk9SPzqVcyFBeXsLUT1rF69mmeffZaAgABeeOEFW4dTp/r27cs///zD66+/zoIFC0hLS2PWrFnFU3HVBeljq2PSx1b3Mv7YStzSe8lPiADApe2lBN69BOeWHW0cmRCioqSPTQgr7p2uIWzuAbyvngJA9vE9RM7uRcKGFzHn59k4OiFETZPEJpoEO1dPAse/SauntuPYvB3m/FwSPnuGyOf7kRN5wNbhCSFqkCQ20aS4XXIloc/vx+fah8BkIidiHxHPXcrZz5/FnJ9r6/CEEDVAEptocuyc3Wg+9jVaT9+JYwsFBfkkfvk8Ec/2JvuE9H0K0dBJYhNNlmv7ywid8zu+Q58Akx25UYeJfP4yznw6ncLc7PIPIISol5rEfWxKKWdgDjAe8AUOADO01tvK2e9ZYHYpm+K01uc/AVA0OHZOLgSMeRHP8JuIXTqJ3KjDJG2aT8bvXxJ492JcL7rwVExCiPqnqdTYlgEPAyuBB4FCYLNSqqKfWpMxkmLRv6m1EKOwIZe2vQmZvQe/G54BewdyY/7i1LwBnFn9GIU5mbYOTwhRCY2+xqaUuhS4DXhYa73Qsu5D4DAwH7iiAodZo7VOrq0YRf1g5+iM/03P4dFrFHFL7iYncj9J37xO+v4NBN71Pm6qIm8VIYStNYUa281AHrC4aIXWOhtYAvRXSgWVtaMVk1LKSynVtB7T3ES5hHYnZNYumt30PNg7khd3jKgXryJ+xTQKs9NtHZ4QohxNIbH1AP7SWpf8RNoDmIDuFThGJJACpCilliql/Go2RFHfmBwcaXbDdELn/IZzm94AJG97i5PPdCPjj602jk4IcSGNvikSCAJOl7I+xrIMLmVbkSTgTWAXkAsMwuhv66mU6qO1zim5g1IquZx4vMsLWNQfzi07EfLMjyR98zoJ62aTf/Ykp1+5Fu8rJ+F/68vYu8mvU4j6pikkNlfgvAQEZFttL5XW+r8lVq1VSh0G3gImAO/XSISiXjPZO+A39HE8etxA7JJJZB/7mZTvF5Nx6GsC73gH967X2zpEIYSVppDYsoDSHtvqYrW9Mt4BXgGuppTEVt4EnZYanXzNb4CcghStp+8geetbnF07nfzEKE4vGI7X5RMIuH0B9u6+tg5RCEHT6GOLwWiOLKloXXRlDqa1LsRo2pR+tibIZGeP75BphM49gKu6EoDUnz7k5PTOpP/+pY2jE0JA00hs+4FLlFIeJdb3sSwrNQOuUsoRaA2cqX5ooqFyat6OVk9upfmERZhcPChIiSX6jZuIeWccBWlnbR2eEE1aU0hsawFHYFLRCstMJHcCP2mtoy3rQpRSl1jvqJQKKOV4j2M0Y35TaxGLBsFkZ4fPoPsJm3sQt07XAJC262NOTu9M2p5PbRydEE1Xo+9j01rvVkp9CrxsuWftH2AiEArcYVX0Q+BKjFsAikQopT7GuJk7B7gKGA38CKyq/ehFQ+DoH0rLx74mdedSznz8GAVpZ4h5+zbS9qyh+fhFOHgH2jpEIZqUplBjA2ME438tyzcwanBDtdY/lbPfR0Bf4DlgAdAFeB4YorXOr71wRUNjMpnwvvJuQucdKh4lmb53HSendyb154+QJ9ULUXdM8gdXt5RSyZ6ent5798rjURors9lM2s8riV/1MIUZSQC4dx9O84lv4+jb0sbRCdEwhYeHk5aWllLeyHNoOjU2IeqMyWTC6/LxhM07jEevkQBk7N9IxPQupPzwgdTehKhlktiEqCUOPi0I+r+1BN2/CntPfwqzUohbMonTrw0lLyHS1uEJ0WhJYhOiFplMJjz73ErovMN4XjoGgMzDW4iY0ZXk797FXFho4wiFaHwksQlRBxy8AgiaspqgB9Zi7xVIYXYa8cunEPXKEHLjj9s6PCEaFUlsQtQhz16jCHvhMJ6X/QeArD+/I+KZbiR9+6bU3oSoIZLYhKhj9h5+BN27nOCH1uPg2xJzbiZnPnqIUy8OJDf2qK3DE6LBk8QmhI14dB9G6LxDeF1xNwDZf/9ExMweJG5+DXNhgY2jE6LhksQmhA3Zu3nT4q73aPnY1zg0C8Gcl83ZT57g1Nz+5Jw+YuvwhGiQJLEJUQ+4dx5M2NyDeA+6H4Ds43uInN2LhA0vYs7Ps3F0QjQsktiEqCfsXD0JnLCIVk9uwzGgLeb8XBI+e4bI5y8jJ7JSD6EQokmrlcSmlJIOAiGqyK3DQELn7sdnyINgMpET8TsRz13K2c+fw5yfa+vwhKj3aqvGZiq/iBCiLHbO7jS/fQGtp3+PY4uLoSCfxC/nEPHspWSf/M3W4QlRr9VWYqvQZHhKKUmAQlyAa/vLCZ3zO75DHweTHblRh4ic048zn06nMDfb1uEJUS/VSR+bUmq91c//s9q0rS7OL0RDZufkSsCYlwiZ+TNOLTtBYQFJm+YT+Ww4Wcd22To8Ieqduho84mn1s/VTqqXGJkQFubTtTcizv+I3YgbY2ZMb/Sen5vXnzOrHKMzJtHV4QtQbdZXYzBX4WQhRDjtHZ/xHzyFk9m6cQ7qD2UzSN68TMasHmXqnrcMTol6oq8TWTSn1lVJqc4mfu9bR+YVoVFxCexAyaxfNbpoD9o7kxR0j6sWriF8xjcLsdFuHJ4RNOdTReXrW0XmEaDJMDo40u2EGHj1vJHbJ3eSc2EvytrdIP7CJFne9h1vHq20dohA2UW5iU0q5AtcCTsAJ4KDWOqeS5xkCHNdaFw8WUUpdDbQBFlfyWEIIK86tOhPyzE8kffM6Cetmk3/2JFEvD8F74D34j5mPvZu3rUMUok5VpMb2KdAHI6m1BbyUUkeBfcD+oqXWOvECx5iote5vvUJrvU0p9SOS2ISoNpO9A35DH8ej+whil04i+9gvpOx4n4yDmwm8413cu15n6xCFqDMV6WO7Euistb5Ua+0PtAOeAjTQD3gPiC/nGGVNlyDTKAhRg5yCL6H19O8JGLsAk5Mr+YlRnF4wjNjFd1GQkWTr8ISoExWpsf0DFPdGa61PAaeAjUXrlFIe5RwjRykVorWOtNonFElsQtQ4k509vtc+iHv3YcQtvZcs/T2pPy4n4/AWAie+jUePG2wdohC1qiKJ7Q1gNvBEWQW01uUNw3oa2KCU+hIjKYYCI4AJFYxTCFFJToEX0erJraR89y5n1jxJQXIM0f8dhWff22g+7r/Ye/rbOkQhakVFmiLfAx5TSh1USr2olLpFKXVRZU6itd4PDAD+AnyBI8AArbVMWS5ELTLZ2eFz9f2EzT2IWydjlGTaro85OaMLab+utXF0QtSOitTYvIBuQA/LvyeBzkqpbK21z4V2LGVE5WdVGFEphKgmx4AwWj72Dak7l3Dm48cpSI0n5q1bSQu/iebjF+HgHWjrEIWoMeUmNq11JvCL5R8ASikHoGMFjl8TIyqFEDXAZDLhfeUk3LpcR/yy+8g4uJn0vevI/HMHzcctxLPf7ZhMMsudaPiqdIO21jofOFiBolcCF2mt4wCUUq0xan/dMUZU3g+EVTWOilJKOQNzgPEYTaEHgBnW99VdYN+WwOsY9+LZAduBh7XWJ2ovYiFqj6NfK4If3kDazyuJX/UwhRmJxL43gbQ9awic+D8cfINtHaIQ1VLbM4/UxIjKmrAMGA0sBI4BdwCblVJXaq1/KWsnS2zfYUziPA/IBx4GdiilumutZfy0aJBMJhNel4/HrdM1xH04lYzfvyRj/0ZO6h8IuP01vPrfIbU30WDV9lyRRSMqy1SBEZXVopS6FLgNeEJr/YTW+j1gEBAJzC9n9ynARcBQrfUrWuuimltLjAQnRIPm4BNE8AOfEXT/Kuw9/SnMSiFuySROvzaUvITI8g8gRD1U24mt2iMqa8DNQB5WM5xorbOBJUB/pVRQOfvu0lrvs9r3L4znyI2pnXCFqFsmkwnPPrcSOu8wnpcab+vMw1uImNGV5O/exWyWh3CIhqW2E5sXcDnwDuCPMaLysFIquZbPa60H8FcpNcM9GM+D617aTkopO4ynD+wtZfMe4GKllFsNximETTl4BRA0ZTVBD6zF3iuQwuw04pdPIerlIeTGH7d1eEJUWG31sZmg2iMqa0oQcLqU9TGWZVk95X6As1W5kvuaLMf+x3pDBZK2zEgr6jXPXqNwU1cQv+oR0n5eSdaf24l4phv+t7yIz9VTMNnV1dOuhKiaWnmHaq3LPK7WOl9rXZERlTXFFSjt3rlsq+1l7UcV9xWiQbP3aEbQvcsJfuhL7H2CMedmcuajB4l66SpyY4/aOjwhLqiunsdmS1kYNa+SXKy2l7Ufld23AjetJyO1NtFAeHQfjuu8/pz55HFSdy4l6+iPRMzsQbOb5uB77UOY7OxtHaIQ52kKbQoxGE2GJRWtiy5jv0SM2lpZ+5opvZlSiEbF3t2HFne9T8vHNuPQLARzXjZnP3mCU3MHkHP6iK3DE+I8TSGx7QcuKeV+uT6WZanzVWqtC4FDQHgpm/sAf1v6EIVoEtw7DyFs7kG8B90HQPbx3UTO7kXChhcx5+fZODoh/lXtpkilVD/g/4D2QDMsA0esmLXW7ap7nmpYCzwGTMK4QbtoJpI7gZ+01tGWdSGAm2U4v/W+LyqlehQN+VdKKYz74F6qs1cgRD1h5+pJ4IS38Ox9C3FL7yHvzHESPnuG9L3raDFpCc6tu9o6RCGqV2NTSk0AfsSY1cMF46bniBL/bHqXp9Z6N8aclS8rpeYrpe7FmBYrFOP2gyIfAn+W2P1t4DjwlVLqMaXUQ8C3GE2Qr9d27ELUV24dBhI6dz8+g6eByUROxO9EPNubs58/hzlfHrMobKu6NbYZGE/Svqao5lNPTQCetyx9Mea5HKq1/ulCO2mt05RSAzGS2EyMLwLfAQ9prRNqNWIh6jk7Z3eaj3sdz0tvJnbJJPJij5L45RzSf/ucFpOW4BLWy9YhiibKVJ1ZBZRS2cDjWus3ay6kxk0plezp6em9d29p930L0TAV5maR8MVzJG1+DcyFYGeP39DH8bthJnZOLuUfQIhyhIeHk5aWllLeyHOo/uCRKEofDi+EaELsnFwJGPMSrWf+hFNwRygsIHHjS0Q+G07WsV22Dk80MdVNbO8A45RScjOLEALXtpcS8txe/EbMADt7cqP/5NS8AZz5+HEKc2QQsagb1e1j+w1j4MgepdRbGA8ULShZSGu9s5rnEUI0EHaOzviPnoNH+CjiFt9NzqkDJH29gPR96wm8azFuaoCtQxSNXHUTm/WDOhdj3LRszWRZJzU6IZoYl9AehMzeTeKm+SSsn0te3DGiXhyIz9VT8b/lBexc6uJRjKIpqm5iu7NGohBCNEomB0ea3fgMHj1vJHbpJHJO7CV521tkHPyKwDvfw63jIFuHKBqhao2KFJUnoyJFU2UuyCfp6wUkfP4s5nxjbnHvgffgf+vL2Lt62Tg6Ud/V5ahIIYSoEJO9A37DniB0zu+4tOsLQMqO94mY0YWMg1/bODrRmFSqKdIy00ilaa0/rMp+QojGxyn4ElrP2Enyt29y9rNnyE+M4vSCYXj1n0jA2Newd/e1dYiigatsH9syjMEgJeeDvBAzxnRVQggBgMnOHt9rH8K9+3Dilt5Dlt5J6o/LyTi8hcCJb+PR4wZbhygasMomtqtqJQohRJPkFHgRrZ7cRsp373JmzZMUJMcQ/d9RePYdS/NxC7H39Ld1iKIBqlRi01p/X1uBCCGaJpOdHT5X34971+uJW3YvmX9sI23XajKPbKP5+Dfx7H2zrUMUDYwMHhFC1AuOAWG0fOwbAu98FztXLwpS44l561aiF40hPyXO1uGJBkQSmxCi3jCZTHhfOYnQuQdx63odAOl7P+PkjC6k/rIKuT1JVIQkNiFEvePYrDUtH95Ii3s+wM7Nh8L0BGLfHU/0f0eSn1Sfn5Al6gNJbEKIeslkMuF1+QTCXjiMu2WUZMb+jZyc3pmUHz6Q2psokyQ2IUS95uATRPC0dbS47yPsPJpRmJVC3JJJnF4wjLyESFuHJ+ohSWxCiHrPZDLh1fc2wl44jIdllGTmoW+ImNGV5O/eldqbOIckNiFEg+Hg1ZzgqZ8QNHUN9l7NKcxOI375FKJeHkLemRO2Dk/UE5LYhBANjmfv0YS9cBjPfuMAyPpzOydndCXp20WYCwttHJ2wNUlsQogGyd6jGUGTPyT4oS+x9wnGnJvJmY8eJOqlq8iN/dvW4QkbksQmhGjQPLoPJ2zeIbwGGI+HzDr6IxEzu5O4eQHmwgIbRydsQRKbEKLBs3f3ocXdi2n52GYcmoVgzsvm7CePc2ruAHJOH7F1eKKOSWITQjQa7p2HEDr3AN6D7gMg+/huImf3InHjS5gL8m0cnagrktiEEI2KvasXgRPeotWTW3EMaIM5P5eza2cQOacfOacO2jo8UQcksQkhGiW3DlcROvcAPoMfAJOJnIjfiXi2N2c/fw5zfq6twxO1SBKbEKLRsnN2p/m4hbR+egeOLS6GgnwSv5xDxHN9yD75m63DE7Wksg8abZCUUj7Ay8AowA3YDTyitd5fgX2XARNL2bRba9235qIUQtQW14v7EzrndxLWzSbpm9fJPXWQyDn98Bv6OH43zMTOycXWIYoa1OhrbEopO2ATcBvwJvAEEAjsUEq1q+BhMoHxJf7NrvlohRC1xc7JlYDbXqb1Mz/iFNwRCgtI3PgSkc+Gk3Vsl63DEzWoKdTYbgYuA0Zprb8AUEqtAY5iJKcJFThGntZ6Za1FKISoM67t+hDy3F4S188lcdN8cqP/5NS8Afhe+xDNbpqDnZOrrUMU1dToa2wYiS0a+LJohdb6DLAGGKmUcqzIQZRS9kopz9oJUQhRl+wcnfEf/Twhs3bh1LormAtJ+noBETN7kKl/sHV4opqaQmLrAfymtS45/fcewBO4qALH8ARSgVSl1Fml1AKllDTKC9HAuYT1JHT2bpqNehbsHcmL+5uol64ifuWDFGan2zo8UUVNoSkyCNheyvoYyzIY+PMC+8dgDDzZB9gDI4CHgQ7A9SULK6WSy4nHu5ztQog6ZHJwotmNM/HoOZLYJXeTc/I3krcuIuPAJgLvfA+3joNsHaKopAaV2CwDQZwqUlZrnW350RXIKaWI9fYLHefpEqtWK6WigMeVUoO11t9WJB4hRP3m3LoLITN/JmnzayR88Rx5Z04Q9fJgvAfei/+t87F39bJ1iKKCGlRiA64AvqtIQaVUgNb6LJAFOJdSpKgpMasKcbwGPA5cDZyT2LTWPuXElYzU2oSol0z2DvgNfxL3njcQt2QS2f/sImXHe2Qc3EzgHe/g3vU6W4coKqChJba/gDsrWDbNsozBaI4sqWhddGWD0FrHKaVyAb/K7iuEqP+cgzvQesZOkre8wdnPniE/8RSnFwzDq/9EAsa+hr27r61DFBfQoBKb1joWWFbJ3fYDlymlTCUGkPQB0oFjlY1DKdUKo0n0TGX3FUI0DCY7e3yvexj37sOJ++BesvROUn9cTsbhLQRO/B8ePUbYOkRRhqYwKnItxgCRG4tWKKX8gVuAL7XWeVbr21nftK2UciljiP9My/Kb2glZCFFfOLVoT6sntxHwnzcwObtTkBxD9H9HEvPOfyhIT7B1eKIUDarGVkVrgV3Ah0qpV4GzwBSMpP5sibLbLMswy7IFsE8ptQqjGdQOY1Tk1cAnWuudtRq5EKJeMNnZ4XvNVDy6DSXug8lkHtlG2q7VZB7ZRvPxb+LZ+2ZbhyisNPoam9a6ABiKcUP2NOAVjCbEq7TW5TVDJgMbgSHAS5Z/AcCjwLhaClkIUU85BrSh5ePf0PyOd7Bz8aQgNZ6Yt24letEY8lPjbR2esDCZzSXvWxa1SSmV7Onp6b13715bhyKEqIa8hFPELZtM5iGjR8LOoxnNxy3Es+9YTCaTjaNrfMLDw0lLS0spb+Q5NIEamxBC1AbHZq1p+cgmAictxc7Nh8L0BGLfHU/0G6PIT6r0YGtRgySxCSFEFZlMJrz7TyRs3iHcLaMkM/Zt4OSMLqT8sAxpEbMNSWxCCFFNDr7BBE/7nBb3rcTOoxmFmcnELbmb0wuGkZdwytbhNTmS2IQQogaYTCa8+o4l7IXDeFhGSWYe+oaIGV1I3vGe1N7qkCQ2IYSoQQ5ezQme+glBU9dg79Wcwuw04pfdT9TLQ8g7c8LW4TUJktiEEKIWePYeTdgLh/HsdzsAWX9u5+Qz3Uja+hbmwkIbR9e4SWITQohaYu/RjKDJKwh+8AvsfYIx52RwZuU0ol4aRG7s37YOr9GSxCaEELXMo8cIwuYdwmvAHQBkHf2BiJndSdy8AHNhgW2Da4QksQkhRB2wd/ehxd1LaPnoVzj4tcacl83ZTx7n1NwB5Jw+YuvwGhVJbEIIUYfcu1xL6LyDeA+8F4Ds47uJnN2LxI0vYS7It3F0jYMkNiGEqGP2rl4E3vE/Wj3xLY4BbTDn53J27Qwin7+MnFMHbR1egyeJTQghbMSt4yBCn9+Pz+AHwGQi5+RvRDx7KQlfzMGcn2vr8BosSWxCCGFDdi4eNB+3kNZP78AxsD0U5JHwxXNEPNeH7JO/2zq8BkkSmxBC1AOuF/cn9Pl9+F73KJjsyD11kMg5fTm79hkK83JsHV6DIolNCCHqCTsnVwJue5nWz/yIU3AHKCwgceOLRM7uRdY/u20dXoMhiU0IIeoZ13Z9CHnuN/yGPw129uRG/8mpuf058/HjFOZm2Tq8ek8SmxBC1EN2js743zyXkFm7cGrdFcyFJH29gIiZPcg6+qOtw6vXJLEJIUQ95hLWk9DZu2k2cjbYO5AX9zenXhxI/MoHKczJsHV49ZIkNiGEqOdMDk40GzmL0Gd/xTmsF5jNJG9dRMQz3cg8st3W4dU7ktiEEKKBcG7dlZCZP+N/8zxMDk7knTlB1MuDiVt2PwVZqbYOr96QxCaEEA2Iyd4Bv+FPETLnd1za9QUgZcd7RMzoSsahb2wcXf0giU0IIRog5+AOtJ6xk4DbXsXk6EJ+4ilOvzaU2CV3U5CRZOvwbEoSmxBCNFAmO3t8r3uY0Of343rxAABSf1jGyRldSN+3wcbR2Y4kNiGEaOCcWrSn1VPbCfjPG5ic3SlIjiH6vyOJeec/FKQn2Dq8OieJTQghGgGTnR2+10wlbO4BXDsMAiBt12pOTu9M2q+f2Ti6uiWJTQghGhHHgDa0emILze/4H3YunhSkxhPz1hiiF40hPzXe1uHVCUlsQgjRyJhMJnwG3kvovEO4dbkWgPS9n3FyemdSd63GbDbbOMLa5WDrAGqbUkoB9wF9gB6AC9BGa32yEse4DHgZ6AmkAp8AT2utM2s8YCGEqCGOzVrT8pFNpP64nDOrH6UwPYHYd/5D2u41BE58GwefIFuHWCuaQo2tHzAN8AL+rOzOSqnuwDaMhPgIsBiYjJHchBCiXjOZTHgPuIOweYdw7zECgIx96zk5vTMpPyxrlLW3ppDY1gM+WuvOwIdV2P8FIAEYqLV+R2v9DPB/wHCl1KAajFMIIWqNg28wwdM+p8XkFdi5+1GYmUzckrs5vWAYeQmnbB1ejWr0iU1rnai1TqvKvkopL2Aw8KHWOt1q04dAOjCmBkIUQog6YTKZ8Op3O2EvHMYjfDQAmYe+IWJGF5J3vEd2Xi5RaUksOfITj/zwKW8f3IFOiiUmI5mc/DwbR19xjb6PrZq6YFyjvdYrtda5Sqn9GH12QgjRoDh4BxL8f2tI+3Ut8SseoCA1nvhl95Ozczn3Nu/OKWfP4rKv7vuW1wfcQoiHHx39gnB2cLRh5BUjie3CinpWY0rZFoPRf3cOpVRyOcf0rmZMQghRIzx734zbJQOJ/+gh0natxvn4Lt45+Rvvt72CL4N7YDaZyC0s4OEfPmX1tZOIy0ol0NWr3ie3BpXYlFJ2gFNFymqts2vglK6WZU4p27KttgshRINk7+lP0H0r2RPUlYBNc/HPzWDasW0MPKN5WV1HtKsvuYUF/BJ7nJbuPrT3aU4H3xb1Ork1qMQGXAF8V5GCSqkArfXZap6v6BnszqVsc7HaXkxr7VNOXMlIrU0IUc/sbNaWTeF3cf/x77g+9jBdU6JYvHcZS9sMYF3LnkSmJeLn4s7SIz/xWM/B9brm1tAS21/AnRUsW6UBIyUUNUGWdrNHEBBdA+cQQgib6+wXzCeOLryirmdHwCU8evQbmuekMeWf77jijCYhrCOu9o5EZ6Sw7p/9XB7UjlYePvg5u9e7BNegEpvWOhZYVoenPAzkA+HAuqKVSiknoDuwqg5jEUKIWjMkpAPP/7qJ3MICfvVrw13hdzL5+A5GxBykc2o05lX3kzX4QX7NMBPi6cfxlDOMU304mhxP38A29Sq5Nfrh/pWhlLpEKRVS9H+tdQqwFRivlPKwKjoe8AA+reMQhRCiVvi7ePDB1RNxsrMHINPBmdcvvpanu91GrncQpvxc3Da/whv7PqJjbirRGSn8Enuc/x36nris1Hp1O0CDqrFVhVLKG3jA8t+iUYz/Z+nritBar7Aq/ifwPTDQat0M4Gdgh1JqMdAKeBTYrLXeWouhCyFEnXF2cKRvizbsHP0Y30Qe4UhCDO28/bmqlaIgK53fP5xKT72NDmkxXLJqKsda9yHqqvvwc3Gvd02TjT6xAb7A8yXWPWpZfg+s4AK01r8rpa4B5gOvY8wV+T7wdA3HKYQQNuXs4EgrD1/GX9yH6Mxk1h8/wKxd69kVdxJzi570cg1kXsROnJKiuOvkj6RsjOHD7mOItHesV02TjT6xWSY7NlWwbKnltNY/ApfXYFhCCFFvOTk4EOTmzch23SkEWnv6EeLpR98WbXnr4DZa7nyfm6P24n3mH+7fOp8TvW/jw9Z9+CX2OLtij9PGq5lNR01KH5sQQojzODs4EujqxcCWF5NfWMCP0ce4ZfN7bDh9jKXtryHizg9I8A7CwVxI+z2ruHvzHLL/2V3cNHkkMYb0nJq4nbjyTI1xZuf6TCmV7Onp6b13797yCwshhI3l5OdxJjudzRGH+TMxtrjmtuTIj+w8eZgPChLw+3k5duZCzCY7fmx/FbrfBLLtHJjWzZgn/njKGTo1C8bfxaPKtbjw8HDS0tJSyrtXGJpAU6QQQoiqK+p3m6j6kZqXxXdRR/n077108gvm7o79WXLkR45lFfCk3kzbjDMMOLqNnvF/sqr7GDZ6BzCkdUcyC/J4fs9XjGnfCxd7R5q5uuPl5FJrA02kKVIIIUS5nBwc8HR0ob1Pc/KsmiY3R/xBhHcw2Q9t4Mduo8gz2eGeHM09OxYS8s2rRJyN5OOjv3JHx8u4Z/tKAtw8WbhvG3viTnIkMaZWbhOQxCaEEKJCnB0c6eDbgid6Xcu1oR255aKePNZjMKuuncSmU38x108ROXk1Mc3aAND5zy0ELxpJj7P/sCv2OD0CWrPp5CH+r9sgHvlhLbmFBZzNzqjxOCWxCSGEqDDrpsnp4dfR0t2nuGly1bWTWJeZxfhON/F+u6swOzjjmhbPqK2v0G7TXFrbm4hMSyQiLYEeAa35JfY4B85G1XiM0scmhBCi0pwcHPDEhYu8A/gh+m9+jD7Ga/u2YsaMk70jl497lQ8ObmP8gU9xPPEr6u+dBJ/ajx7yKCe8/Wnu5klkWiL+Lu41HpskNiGEEFXi7OBIe+/mPNj9ajacOEiI1f1uy478zHVdr2ahpz8ujr7838mf8MxOpdemuXx77xriM9PoH3wRfi4e5Z+okqQpUgghRJV5OLvQyt2H2y++lGFhXXC0s2NX7HHu6HgZm04eYlvUUa6+7UUWD3+e5C5DORLWh/CQTuw7c4q+LdrQzb9ljcckNTYhhBDV4uzgSHMHRwY4XUSPgNbsij3OZ8d+o1dAKNO6DuJYyhlGX3oDSz38uS6sE8v+3MWCATfjbOeAfy3U2CSxCSGEqBFODg74OTgwNKwLg1t3ICMvl/1nTxGTkUx8VipTuw3kZMpZHu5xNV5Orvg5u9XKfWyS2IQQQtQ4R3sHfOwdGNhKMbCVKl7fpVnNNz2WJH1sQgghGhVJbEIIIRoVSWxCCCEaFUlsQgghGhVJbEIIIRoVGRVZ97zS0tIIDw+3dRxCCNFgpKWlAXhVpKwktrpXCNilpaWl2jqQGuJtWabYNIr6Qa7Fv+Ra/Euuxb+qcy28MD4/yyVP0BbVopRKBqjIU20bO7kW/5Jr8S+5Fv+qq2shfWxCCCEaFUlsQgghGhVJbEIIIRoVSWxCCCEaFUlsQgghGhVJbEIIIRoVSWxCCCEaFbmPTQghRKMiNTYhhBCNiiQ2IYQQjYokNiGEEI2KTIIsyqSUUsB9QB+gB+ACtNFan6zEMS4DXgZ6AqnAJ8DTWuvMEuWcgTnAeMAXOADM0Fpvq/4rqRlKKR+M1zIKcAN2A49orfdXYN8LdWZv1VoPtpQLA06UUe56rfXXlQi51lTzWiwDJpayabfWum+JsnbAY8D9QBBwFJintf6kGuHXqKpeC8trmwjcBHQH/DB+96uA17TWOVZlw6gn74vq/K0qpVoCrwNDMCpW24GHtdbnvTal1N0Yv/s2QCTwX631WxWJURKbuJB+wDTgT8u/HpXZWSnVHdgG/AE8ArTCeKO2BUaUKL4MGA0sBI4BdwCblVJXaq1/qWL8NcbyIbQJ6AK8CiQAU4AdSqleWut/yjnE+FLWhQMPAltK2bYS+KbEugOVCrqW1MC1AMgEJpdYd6aUcvOAp4D3gL3AjcDHSqkCrfXaKr6EGlPNa+EGLAV2Ae8A8Rh/c88Dg4BrStmnPrwvllGFv1WllAfwHeCJ8XvNBx7GuFbdtdZJVmUnY1yTT4EFwABgkVLKRWv9WnkBSmITF7Ie8NFapymlHqKSiQ14AeMPfaDWOh1AKXUSeF8pNUhrvd2y7lLgNoxvbgst6z4EDgPzgSuq/1Kq7WbgMmCU1voLAKXUGowaxGxgwoV21lqvLLlOKTUQMAOrS9nlt9L2qSeqdS0s8sp7fZZv949ifFN/yLJuMfA98KpSap3WukKPMalF1bkWucDlWuufrda9b/kbeU4pNVBrvaPEPjZ9X1Tzb3UKcBHQS2u9z7LvZsu+DwOzLOtcMRLfl1rrMZZ937d8iZitlFqstb7gY2+kj02USWudqLVOq8q+SikvYDDwYVFSs/gQSAfGWK27GcgDFludOxtYAvRXSgVVJYYadjMQDXxZtEJrfQZYA4xUSjlW5mCW5pzRwPda66gyyrgrpZyqHnKtqZFroZSyV0p5XqDIjYAj8LbVeczA/4BQ4NLKh17jqnwttNa5JZJakc8tyw6l7Wfj90V1/lZvBnYVJTXLvn9htOpYfx5cBTTD6vdu8RZGbe/68oKUxCZqSxeMFoG91iu11rnAfs6t/fUA/iqRAAH2ACaM/gdb64HxbblkX9kejD+2iyp5vKGAD/BRGdufx/gCkK2U+kUpVR9qrUVq4lp4YvS5piqlziqlFiilXEo5T6rW+mgp5ynabms1/b4AaGFZni1lm63fF1X6W7XUtrpS4vPAat+LlVJuVueglLK/YTxotNzfuyQ2UVuKvrnFlLItBgguUbascpQoays1HeM4IAco2U9UiNGH8hhwg2UZCmxVSg2o5DlqS3WvRQzGYIs7gdsx+hgf5t+aivV5YqtxnrpQG+/dJzCeMG3d91pf3hdVfb1+gPMF9jXx72dGEJCjtU60LmT5UpxwgXMUkz62JsLyjalCzReWpoXqcrUsc0rZlm21vahsWeUoUbbaqngtaixGSzPtMOArrXVyifNFAteVKP8xcAR4Cbi8ouepYCx1fi201k+XWLVaKRUFPK6UGqy1/rYmzlNZtn5fWGKYjjFoZLJ1P1Jdvy8uoKqvt7zPA+syrhj9j6Up+dlRKqmxNR1XAFkV+aeU8q+B82VZls6lbHOx2l5UtqxylChbE6pyLWoyxtGW/cpqhjyH1joaY4BJX6vmmppi62tRpGik29VW65rU+0IpdSswF3hXa/1eeeVr+X1Rlqq+3vI+D6zLlHWOorLlXlOpsTUdf2E0/VRElQaMlFDU5FBaZ3IQRoe7ddmyylGibE2oyrWoyRjHYTQ1bazEPqcwvoj6YAyVrym2vhYAaK3jlFK5GE1WRWIwhnnX2HnKYbNroZQajDGwagMwtYIxQO29L8pS1debiFFbK2tfM/9+ZsQATkopP+vmSMuAmWYXOEcxSWxNhNY6FuP+k7pyGOM+lXBgXdFKy5uzO8ZNqEX2Aw8qpTxKdEr3sSxr9D6dKl6L/cBlSilTiYECfTA6849V5CCWUWNXAcusb8CtgLZAAZBUXsHKsOW1sKaUaoXRDGh9L9t+YJJS6uISA0j6WG2vMba6FkqpPhj9i78Ct2mtCypx/lp5X1zAfqrwt6q1LlRKHcL4PCipD/C31aQN+y3LcM7tZwzHSOL7KYc0RYoaoZS6RCkVUvR/S//AVmC85cbMIuMBD4wbL4usxRjWPcnqeM4Y355/sjS52NpajE7rG4tWWJqjbsG43ybPan07pVS7Mo5zG8bfXanNkEqpgFLWXQSMBXZqrWu6+a0qqnwtlFIuZQzxn2lZWt98/CXG0PIpVvubMGbDicSY4cPWqvW+UEp1wLjB+yQwoqzfbz16X1Tob1UpFaKUuqSUffsqpXpY7aswbka3/jzYjlHDm3Lu7tyP8WVhc3lBSo1NlEkp5Q08YPlvP8vy/5RSyUCE1nqFVfE/MW6cHWi1bgbwM8bMAosxZh55FNistd5aVEhrvVsp9SnwsqVG8w/GVEOhGLMa1AdrMWaI+FAp9SrGUOwpGEnq2RJli6YWCivlOOMwmlJ2lHGel5VSbS3HiAHaYXyQgzESrj6ozrVoAexTSq3CaPqzw5iF5mrgE631zqIdtdZRSqmFwGOWWwH2AiMxmidvrQc3Z0M1roUlwX+DMS3VK8Aw43O+2EGt9UHLz/XifVGJv9UPgSsxRjsWeRu4B/hKKfUaRovOIxiv53Wrc2QppWYCb1ludt+C8Tv/D/BkyQFXpZHEJi7EF+O+GWuPWpbfAyu4AK3170qpazBmJHgd476l94GSo+LAmKHhecvSFzgIDNVa/1Tl6GuQ1rpAKTUU4wNoGsbIrD3ABK11RZshFdALWHCBD+UtGB9YD2D0myRZ1j2ntf6jWi+ihlTzWiRj9C0OwfggtMOYpeNR4L+llH8K4xpMxqgVHAVu11qvqfYLqQHVvBbNgNaWn18qZftzGH8HUL/eF1X6W7XMYDQQ47NgJsbv/jvgIa11Qomybyul8jDeFzdi9CU+qLV+oyIByoNGhRBCNCrSxyaEEKJRkcQmhBCiUZHEJoQQolGRxCaEEKJRkcQmhBCiUZHEJoQQolGRxCaEEKJRkcQmhBCiUZHEJkQtU0qZlFIyy48QdURmHhGiFiilTgKLgaEYTzMYBBwCXsSY79AVY7LXqVrrs5Z9HgYewnh0SxLG1FsLSxy3M8bs5tdbPZDTZpRSN2JMYNtJa/23reMRAmSuSCFq00TgBoz5DR2A5YA90APj2VlvYjwmZbhS6mJgHtBLa/2nZYb4kFKOuQBjFvVvASxPTkih4q0vzayfcVVdWusvLY8jmQ/cVFY5pdQiYBTQSmtttjxFPJlzJ8lNBTRGQv+4oseq/qsQjY0kNiFqz7ta6z8BlFJ+wBggsGjCV6XUdCBOKeWLMdO5CeiklIqw1OLOWh9MKdUPGIxR4yvigJFArd0PXIYx63uc1fqcmkxqVv4LLFdKdSptQl7Lo2ZGYjzGpSgR9cR4vZ9gTIpswpgQ+AFgtVIqV2u9roLHEuIcktiEqD2RVj+HYXx4/13i0SQ5QIjW+oBSajzGI0+WKqV+BZ7WWu+xKjsFI9l9VbTC8giPldYHtDRpZgP/1Vrn19irKds64H/8O/t8Sb2BlsAXVut6WpartNbri1YqpX7BaKIdh9UDass5lhDnkMQmRCVZmtEeAG7FeA6VCYgCvtNaT7Uqav1omkjAjJHEUks7rtZ6LbDW8uyxJzCe9RViOacDRk1lo/XDK0uJzRHoDOyviaRmecDlK8BwjEeUxAHvAnOKakxa63Sl1A/AzZSe2EZhNDt+Z7Wul2W5r0TZfyxL7zJCOu9YSqn5GNdLAf8HjLbE+hNwl9b6lOVLw0NAB4xHoDyptf6izBcuGjQZFSlEJVieFvwD8DjGQx8fw3i21M9A+7L201rHYSSqt5RSzS3Haq6Uutnys1JKDVFKuQK5GE8KLrA6RC+MJ4/v4cI6AU6cnzAqzTJQ5RDQF+MZWk9g9IM9C0wtUfwXoEUpT00GIxl9VSIh9wTOaK1PlSg73LL8uYywSjtWDyALo4bXDONZYR8B12Bc70UYv6ePgVmWMh+V9lRq0ThIjU2IyrkB6Apcq7XeUsl978JICrstg0PigQ0YCc8J48GSnTBqdn8AY6327WhZ/sOF9bAsf69kbOew1Bq/xBjMcb3WOtOyfhVG7fNuYJHVLkVxdcJ4MnbRcTpg1KSesVrnAVwM/GC5DgABGNd2tuWcr5US03nHsuiBMcr0Ba31Kqvy4RhP594EhBclQ8sDLBdi/B63IRodSWxCVI6vZXmpUmprWU/C1lqHlbIuHaPm8Fgp2w4B/S5w3qLaRXmDP4r6rqpbY3sAo19wcFFSA9Baxyil/gBalShf9ATk5iXWj8To7/vaal13jNaiK4EzVuvzMUZ9vqS1TiklpvOOpZRqBfgD662TmkUSkIfRHGldwytqCq6L/kdhA9IUKUTlrAUOYDR3RSul3ldKDVdK1fbfUtEIQNMFSxm1l3yMJsTquAX4RWt9vJRtbpyfYIviKjlScRSw1ZLUixT1rz2FMcpzOMbtAvZAP611UhkxlXasohrqJ6WU7wzs0FrHl1jfwbLUZZxHNHCS2ISoBMtw+V7AdRgfpoMxmhN/VEo51eKpi2o2fmUVsCTXbsCfWuvsqp7IcvtBOLC3lG1+QBuMfkZrRXGdsSrbynKcL0qULapVfqS13qq13qS1fgrjhvYBSqmrSzlvecfaVaJ8a4xa7i7O1xOI1lrHlrJNNAKS2ISoJK11gdb6G631g0A7jOH2/TCSSm05bFmWOUDFss2DavavYdSCTBgDWEq6HaMLo+QN1BdZloet1o3EqMGtL1G2F3BWax1VYv17luVYzlfWsXoAyaXULIsSXmnXokcZ60UjIYlNiApSSgVYbhAuprUuwBi9aAZO1+Lp92H0DfW9QJma6l8rat672vr1KuMGvLkYAy62l9inLxCntbZu3hsF/Ki1tq7FuQGXYDTnnkNrvReIBm4opWn3vGNZxVpakipq7vzNeqVSKgyjdimJrRGTwSNCVNyrQH+l1JfAMYwvhtdi9BG9orWOrq0Ta60LlFLrgJFKKWetdU4pxSo0ItIyj2Wo1rqs/rqeGCM2Q4H1SqnNQFtgMkbf2njrQTOWUY4DgKVW6/yAKzBuEbDWDaMvbX8Z594E3AP0B3Ze6FiW9SHAmjJeQ2m3E1yoJicaCamxCVFx2zCGso/BuK9rBsZAipFa65If4LXhf4AP/97rVVIPjJrjebWhEjwwakZl6YFR67sRo5/qNeA/GPeG9dZax5QoPxrjOrxrtW44xhfnz0uULUos+8s490bLclQFjnWhRN6L0muuNXI7hKjfZHZ/IRoQpdTXgLvWekAV9++Kkfju0lp/UMp2NyANeK2iyVop9TtwUmt9k9W6z4E2WuvuVYmzxPFr7FiiaZAamxANy6NAP6XUkCrufy1GYltexvZuGJ8LFbpdQCk1EmNY/ZMlNv0CTK9aiOepyWOJJkBqbEKIYkqpKcBbQHetdXlNmkLUS1JjE0JYK7rB+09bByJEVUmNTQghRKMiNTYhhBCNiiQ2IYQQjYokNiGEEI2KJDYhhBCNiiQ2IYQQjYokNiGEEI2KJDYhhBCNiiQ2IYQQjYokNiGEEI3K/wMWSemQTvBdkgAAAABJRU5ErkJggg==", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "sns.scatterplot(\n", - " data=results_df, x='s_res', y='ln_eta_nist', \n", - " color=colors[0], label='NIST'\n", - ")\n", - "sns.lineplot(\n", - " data=results_df, x='s_res', y='ln_eta_saft', \n", - " color=colors[1], label='entropy scaling'\n", - ")\n", - "\n", - "plt.xlabel(r\"$s^\\text{res}(T, \\rho) / R / m$\")\n", - "plt.ylabel(r\"$\\ln\\frac{\\eta}{\\eta_\\text{CE}}$\")\n", - "plt.legend(frameon=False);" - ] - }, - { - "cell_type": "markdown", - "id": "96c715a3-dd27-4afd-a146-c5c516e43ce7", - "metadata": {}, - "source": [ - "# Summary\n", - "\n", - "- The `Estimator` object in FeO$_\\text{s}$ allows the collection of `DataSet` objects for adjusting parameters.\n", - " - The `Estimator` takes a list of `DataSet` objects, weights, and `Loss` objects as inputs.\n", - " - For `DataSet.viscosity`, it calculates the cost of a model by evaluating the relative difference between the model's prediction and experimental data in each `DataSet`.\n", - "- To work with `scipy`'s `least_squares` solver, a cost function is required.\n", - " - Two functions, `eos_from_parameters` and `cost`, are built for this purpose.\n", - " - `eos_from_parameters` constructs the parameters and equation of state for the current parameter vector.\n", - " - `cost` calculates and returns the cost of the current model based on the parameters and estimator.\n", - "- Initial parameter guesses and parameter bounds are necessary for parameter adjustment.\n", - " - Checking multiple combinations of initial parameters is recommended to avoid local minima (not shown in this notebook).\n", - "- For `DataSet.viscosity`, the `Estimator.mean_absolute_relative_difference` method provides the mean absolute relative difference (MARD) without applying weights or losses." - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/pcsaft/parameter_adjustment/data/binary_vle.csv b/examples/pcsaft/parameter_adjustment/data/binary_vle.csv deleted file mode 100644 index dfc1994b4..000000000 --- a/examples/pcsaft/parameter_adjustment/data/binary_vle.csv +++ /dev/null @@ -1,52 +0,0 @@ -p x1 y1 t source -0.2061 0.018 0.227 318.1 https://doi.org/10.1051/jcp/1973700843 -0.229 0.043 0.313 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2554 0.14 0.4 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2557 0.152 0.406 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2717 0.3328 0.481 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2756 0.415 0.495 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2766 0.492 0.509 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2761 0.5125 0.5125 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2761 0.514 0.513 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2748 0.62 0.537 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2734 0.658 0.547 318.1 https://doi.org/10.1051/jcp/1973700843 -0.273 0.666 0.554 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2716 0.703 0.56 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2694 0.73 0.579 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2661 0.774 0.589 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2525 0.854 0.654 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2492 0.874 0.67 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2401 0.902 0.707 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2336 0.922 0.733 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2161 0.955 0.811 318.1 https://doi.org/10.1051/jcp/1973700843 -0.2817 0.0066 0.1004 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.3415 0.0259 0.2692 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.3982 0.0797 0.3897 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.432 0.1739 0.4458 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.4496 0.2737 0.4834 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.4593 0.3859 0.5189 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.4595 0.7036 0.6005 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.4496 0.7922 0.6336 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.4321 0.8649 0.6921 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.4314 0.8665 0.6944 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.4158 0.9051 0.7387 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.3973 0.9365 0.7871 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.3779 0.9586 0.8465 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.3608 0.9754 0.8953 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.3463 0.9883 0.9397 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.3362 0.9958 0.9799 330.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.4057 0.008 0.1065 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.5792 0.0873 0.392 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.6375 0.1646 0.4641 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.6679 0.2636 0.5048 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.6863 0.3782 0.5358 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.6953 0.4823 0.5642 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.6984 0.5955 0.5963 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.6952 0.6949 0.6224 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.6843 0.7882 0.6624 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.6422 0.896 0.7543 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.6185 0.9299 0.7998 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.5936 0.951 0.8537 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.5697 0.9721 0.9054 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.5495 0.986 0.9498 340.0 https://doi.org/10.1016/j.jct.2011.09.007 -0.5346 0.9956 0.9804 340.0 https://doi.org/10.1016/j.jct.2011.09.007 diff --git a/examples/pcsaft/parameter_adjustment/data/hexane_liquid_density.csv b/examples/pcsaft/parameter_adjustment/data/hexane_liquid_density.csv deleted file mode 100644 index 9f1ba828f..000000000 --- a/examples/pcsaft/parameter_adjustment/data/hexane_liquid_density.csv +++ /dev/null @@ -1,275 +0,0 @@ -temperature / K,pressure / bar,density / kg/m3 -350.0,3.0,603.3433162626251 -350.0,4.0,599.1132216697094 -350.0,5.0,610.4151065630289 -350.0,6.0,598.9823362225804 -350.0,7.0,604.8184160777041 -350.0,8.0,616.1463504957161 -350.0,9.0,610.7821968537886 -350.0,10.0,609.9827742748857 -350.0,11.0,604.8549325648993 -350.0,12.0,604.5223108432866 -350.0,13.0,608.4217403073151 -350.0,14.0,606.745757498299 -350.0,15.0,598.8759733954658 -350.0,16.0,618.448157532986 -350.0,17.0,602.7955293842575 -350.0,18.0,614.6764875269482 -350.0,19.0,601.3973833967167 -350.0,20.0,615.8821540775406 -350.0,21.0,618.4678109907848 -350.0,22.0,610.6311543126333 -350.0,23.0,606.7401156282276 -350.0,24.0,614.277181198302 -350.0,25.0,609.204751063009 -350.0,26.0,608.7930617185224 -350.0,27.0,600.7956479080012 -350.0,28.0,606.3507009382878 -350.0,29.0,606.7463810669948 -350.0,30.0,618.690141408416 -350.0,31.0,617.4869489001886 -350.0,32.0,622.3909762616244 -350.0,33.0,629.5576749101834 -350.0,34.0,602.6442467849649 -350.0,35.0,617.0878543289906 -350.0,36.0,612.9046318734112 -350.0,37.0,612.4836039890583 -350.0,38.0,620.3802115280514 -350.0,39.0,609.0129438924536 -350.0,40.0,611.2981310407982 -350.0,41.0,621.4542616162036 -350.0,42.0,614.1171188244015 -350.0,43.0,617.2415023006573 -350.0,44.0,612.1684174243139 -350.0,45.0,609.7254143243466 -350.0,46.0,620.7619441911162 -350.0,47.0,625.5175609550494 -350.0,48.0,605.7986958450574 -350.0,49.0,608.5851763421251 -350.0,50.0,609.0102267767329 -400.0,5.0,553.7120559785469 -400.0,6.0,556.0917979051169 -400.0,7.0,548.6431757681518 -400.0,8.0,537.4333978149851 -400.0,9.0,545.4186469785827 -400.0,10.0,546.8770517197061 -400.0,11.0,533.0550730101279 -400.0,12.0,547.7395244977359 -400.0,13.0,549.533389049619 -400.0,14.0,563.6363611983599 -400.0,15.0,555.6695451969309 -400.0,16.0,555.3207350066909 -400.0,17.0,550.0579706748588 -400.0,18.0,549.9977514213923 -400.0,19.0,559.2140847050072 -400.0,20.0,555.4473702103151 -400.0,21.0,553.8127527350648 -400.0,22.0,550.502540118996 -400.0,23.0,560.6092387968739 -400.0,24.0,566.9038434391392 -400.0,25.0,553.1741028263295 -400.0,26.0,553.2091679700608 -400.0,27.0,556.394953769024 -400.0,28.0,558.4932782527848 -400.0,29.0,563.5072424486025 -400.0,30.0,558.9311634085338 -400.0,31.0,554.9818337246614 -400.0,32.0,552.4458069523607 -400.0,33.0,556.1443202037068 -400.0,34.0,563.3527917671141 -400.0,35.0,559.7735040713233 -400.0,36.0,570.7362936250613 -400.0,37.0,562.4912434132942 -400.0,38.0,559.2160220126917 -400.0,39.0,560.2495812881323 -400.0,40.0,567.1712601004208 -400.0,41.0,561.8629053446141 -400.0,42.0,559.8114413427745 -400.0,43.0,569.2203200201093 -400.0,44.0,563.9731779938268 -400.0,45.0,561.1120378071715 -400.0,46.0,558.0706142269768 -400.0,47.0,570.2796071721599 -400.0,48.0,576.6946375772059 -400.0,49.0,564.1919300769248 -400.0,50.0,561.1506435421175 -450.0,17.0,484.48479347744467 -450.0,18.0,479.165934657752 -450.0,19.0,484.784948429577 -450.0,20.0,484.99763945096043 -450.0,21.0,492.4877024445947 -450.0,22.0,489.49362862430456 -450.0,23.0,481.9215193681872 -450.0,24.0,491.2342617481163 -450.0,25.0,485.8365930436647 -450.0,26.0,490.83997722210205 -450.0,27.0,489.57288936537975 -450.0,28.0,483.06011782445773 -450.0,29.0,484.28005939893217 -450.0,30.0,495.04154970429806 -450.0,31.0,499.820041535314 -450.0,32.0,497.1041785044275 -450.0,33.0,489.59952074744507 -450.0,34.0,490.566950456624 -450.0,35.0,494.64182547714915 -450.0,36.0,502.6165102436079 -450.0,37.0,494.5809781024665 -450.0,38.0,504.98304307518 -450.0,39.0,496.15093204697257 -450.0,40.0,504.07975025386986 -450.0,41.0,493.54256969442275 -450.0,42.0,504.0044531780472 -450.0,43.0,526.2299718057731 -450.0,44.0,498.5532378218332 -450.0,45.0,503.12353023474634 -450.0,46.0,497.0347681289733 -450.0,47.0,505.47811275857543 -450.0,48.0,507.12581912443113 -450.0,49.0,505.5582519151179 -450.0,50.0,501.58154155830647 -450.0,51.0,500.6721502799526 -450.0,52.0,509.70996424060473 -450.0,53.0,503.73514233117 -450.0,54.0,505.83132277884835 -450.0,55.0,501.07120369381573 -450.0,56.0,503.78301801486606 -450.0,57.0,503.01039517050236 -450.0,58.0,518.1442277971302 -450.0,59.0,510.86536859930817 -450.0,60.0,509.53638587051114 -450.0,61.0,504.506036756168 -450.0,62.0,512.9249827734735 -450.0,63.0,498.30420378485303 -450.0,64.0,508.22776762975883 -450.0,65.0,504.5387288295917 -450.0,66.0,520.650146963982 -450.0,67.0,516.4251929087095 -450.0,68.0,510.3511730712939 -450.0,69.0,516.9703094260249 -450.0,70.0,513.8675057076377 -450.0,71.0,515.3839790345199 -450.0,72.0,502.8042979697249 -450.0,73.0,513.1430654070788 -450.0,74.0,517.6565141408439 -450.0,75.0,515.4839574913082 -500.0,30.0,373.9540296468808 -500.0,31.0,369.4014994303369 -500.0,32.0,380.53385328939396 -500.0,33.0,377.46381368466723 -500.0,34.0,390.1854236761269 -500.0,35.0,389.78454754749833 -500.0,36.0,389.7264100356803 -500.0,37.0,392.3985327579745 -500.0,38.0,397.5165594506124 -500.0,39.0,392.8340872934888 -500.0,40.0,399.5858946376585 -500.0,41.0,398.44542529331113 -500.0,42.0,403.29210464406515 -500.0,43.0,404.8832600399611 -500.0,44.0,407.22187080476573 -500.0,45.0,405.33335318008426 -500.0,46.0,417.2933567426884 -500.0,47.0,411.7535115960278 -500.0,48.0,418.055761476537 -500.0,49.0,417.0024545606512 -500.0,50.0,418.6124836811744 -500.0,51.0,420.51951722988474 -500.0,52.0,417.1208842522854 -500.0,53.0,425.98177671855336 -500.0,54.0,415.27696374840053 -500.0,55.0,428.9191469989607 -500.0,56.0,431.9428504646053 -500.0,57.0,425.20751657586055 -500.0,58.0,431.9719770940217 -500.0,59.0,429.6476503396437 -500.0,60.0,427.57949381932036 -500.0,61.0,441.43182336285264 -500.0,62.0,441.6024437869026 -500.0,63.0,430.44989610348694 -500.0,64.0,437.9098715734616 -500.0,65.0,436.9066050544091 -500.0,66.0,442.5753558436828 -500.0,67.0,440.00391220582554 -500.0,68.0,436.4600367362062 -500.0,69.0,443.4154973115364 -500.0,70.0,436.91269761939714 -500.0,71.0,468.0574469096655 -500.0,72.0,445.31650559519284 -500.0,73.0,434.91987800317855 -500.0,74.0,453.66728278421954 -500.0,75.0,441.9710636757062 -500.0,76.0,447.9904476558742 -500.0,77.0,451.837398524302 -500.0,78.0,445.3676065156396 -500.0,79.0,450.7142261068397 -500.0,80.0,448.08583606702086 -500.0,81.0,455.1169936713768 -500.0,82.0,454.9563644851747 -500.0,83.0,457.0511650682785 -500.0,84.0,449.1472551348648 -500.0,85.0,453.01102307398526 -500.0,86.0,454.04347748531535 -500.0,87.0,450.766664850108 -500.0,88.0,456.72911807985014 -500.0,89.0,452.3300084264241 -500.0,90.0,463.82622998179585 -500.0,91.0,473.93226630078834 -500.0,92.0,457.48376511217936 -500.0,93.0,456.43049568920185 -500.0,94.0,464.37992544033676 -500.0,95.0,462.04672406916995 -500.0,96.0,464.13440991116795 -500.0,97.0,460.5178514867119 -500.0,98.0,457.82678682955293 -500.0,99.0,467.7924115301135 -500.0,100.0,470.8954622862701 -500.0,101.0,464.1183186498572 -500.0,102.0,466.2394862416614 -500.0,103.0,469.36263212080667 -500.0,104.0,459.52355389773254 -500.0,105.0,466.8542225461191 -500.0,106.0,462.21970581604506 -500.0,107.0,471.83677095519323 -500.0,108.0,466.4729944644651 -500.0,109.0,466.83355281545346 -500.0,110.0,471.011374053168 -500.0,111.0,472.80764007406395 -500.0,112.0,475.03559758542895 -500.0,113.0,466.87818118249766 -500.0,114.0,472.2307516072766 -500.0,115.0,480.4805931648411 -500.0,116.0,471.2736191485617 -500.0,117.0,476.70043099375937 -500.0,118.0,476.0968135671749 -500.0,119.0,479.15547788966256 -500.0,120.0,470.23243486651285 -500.0,121.0,478.70850143080827 -500.0,122.0,476.3402196837817 -500.0,123.0,475.21896013627844 -500.0,124.0,494.24415892915306 -500.0,125.0,467.94234658965524 -500.0,126.0,471.834731658159 -500.0,127.0,480.5483729280001 -500.0,128.0,486.96252014681016 -500.0,129.0,478.55389969058893 -500.0,130.0,472.2965935347497 -500.0,131.0,482.9740469320371 -500.0,132.0,482.65445077366917 -500.0,133.0,501.04704209942145 -500.0,134.0,480.11238208310584 -500.0,135.0,475.1016232925851 -500.0,136.0,477.64282689472475 -500.0,137.0,485.88602038174133 -500.0,138.0,487.14603804917414 -500.0,139.0,488.9440734455953 -500.0,140.0,483.07200810489604 -500.0,141.0,501.05550161523405 -500.0,142.0,475.4921658637216 -500.0,143.0,483.6119523880473 -500.0,144.0,481.6358961191 -500.0,145.0,488.38775206458695 -500.0,146.0,485.61780458737496 -500.0,147.0,481.2520266802343 -500.0,148.0,481.8803238546376 -500.0,149.0,490.99336750665856 -500.0,150.0,489.52160234693423 diff --git a/examples/pcsaft/parameter_adjustment/data/hexane_vapor_pressure.csv b/examples/pcsaft/parameter_adjustment/data/hexane_vapor_pressure.csv deleted file mode 100644 index 439074020..000000000 --- a/examples/pcsaft/parameter_adjustment/data/hexane_vapor_pressure.csv +++ /dev/null @@ -1,252 +0,0 @@ -temperature / K,vapor_pressure / bar -250.0,0.01562653864480726 -251.0,0.01655851868310787 -252.0,0.01886271338048324 -253.0,0.020195009312443807 -254.0,0.021408100064740216 -255.0,0.022583978181424883 -256.0,0.02319211229778488 -257.0,0.023138636450368788 -258.0,0.02698183507914522 -259.0,0.02749720168967758 -260.0,0.027509842413484878 -261.0,0.031923754462118835 -262.0,0.032270479254044256 -263.0,0.03423394564662559 -264.0,0.035816593066161743 -265.0,0.03982130257011554 -266.0,0.03880356021111405 -267.0,0.0333816634447621 -268.0,0.04925628510630349 -269.0,0.046429650619493994 -270.0,0.038228727040364896 -271.0,0.05369729434854844 -272.0,0.06009712788999235 -273.0,0.056254845100609165 -274.0,0.06041610653983126 -275.0,0.07348325954362277 -276.0,0.06972351302965968 -277.0,0.07113258978100548 -278.0,0.08396851086987081 -279.0,0.07922430507369979 -280.0,0.08291115060166313 -281.0,0.08710396482906219 -282.0,0.09945452146684208 -283.0,0.10066801949498436 -284.0,0.08079497124352136 -285.0,0.10915526901919946 -286.0,0.13649006091362947 -287.0,0.11469232381802794 -288.0,0.13129313718605104 -289.0,0.1235577625919186 -290.0,0.13645105860313392 -291.0,0.14990466624684504 -292.0,0.15070469510914328 -293.0,0.1687337785447109 -294.0,0.174613121787716 -295.0,0.17287294835028166 -296.0,0.1930023744838868 -297.0,0.18823636768099308 -298.0,0.20966641481965984 -299.0,0.21608701003276576 -300.0,0.21944081744856897 -301.0,0.22368969006883352 -302.0,0.24078326736353609 -303.0,0.2520630161782479 -304.0,0.2650027962837446 -305.0,0.28564853863412204 -306.0,0.2804194904194651 -307.0,0.28633537103322393 -308.0,0.3267723640168957 -309.0,0.3070281345646014 -310.0,0.3322832624198513 -311.0,0.33289060339436605 -312.0,0.3387171930744544 -313.0,0.3664827167225716 -314.0,0.3729896860203143 -315.0,0.4155310453496118 -316.0,0.33648895113228483 -317.0,0.38952450840311303 -318.0,0.4620877638480658 -319.0,0.4450526368459835 -320.0,0.44769764179961474 -321.0,0.5046084665925219 -322.0,0.5267894600613381 -323.0,0.5319690962302289 -324.0,0.5801304091074256 -325.0,0.5675320521929653 -326.0,0.6313927643016901 -327.0,0.6249563285251474 -328.0,0.6073349590457212 -329.0,0.6670073485882626 -330.0,0.6734577923765608 -331.0,0.5477877844992014 -332.0,0.7316341450844674 -333.0,0.7820221288432364 -334.0,0.7818008214364845 -335.0,0.8288941941658762 -336.0,0.8921211938388834 -337.0,0.862058808047026 -338.0,0.9300221170740904 -339.0,0.8760578853035924 -340.0,0.9795224339538251 -341.0,1.0044797571699648 -342.0,0.9720257755345022 -343.0,1.3275468335971072 -344.0,1.0712294247652654 -345.0,1.1448898665155964 -346.0,1.056486897292762 -347.0,1.2332328243392883 -348.0,1.227421966598291 -349.0,1.3200698319143103 -350.0,1.2717474578288939 -351.0,1.2992538971124001 -352.0,1.4899626496022573 -353.0,1.4130153458434331 -354.0,1.3603560169466093 -355.0,1.577955492534477 -356.0,1.592487142548855 -357.0,1.606013219225147 -358.0,1.6255518290334663 -359.0,1.6981192467104806 -360.0,1.7718874518987138 -361.0,1.7190770253885612 -362.0,1.8861459331084565 -363.0,1.7984945405244122 -364.0,2.0451746921517175 -365.0,1.9453761470226723 -366.0,1.9902415891679752 -367.0,2.053705759145348 -368.0,2.272939405322121 -369.0,2.153187697967539 -370.0,2.3325503932823217 -371.0,2.016313397240711 -372.0,1.6110642666028698 -373.0,2.334292759631334 -374.0,2.4585380176460525 -375.0,2.4862053112475597 -376.0,2.5440270223890806 -377.0,3.0136176466100557 -378.0,2.5543340609122556 -379.0,2.902182222091758 -380.0,3.1827881508583693 -381.0,3.1979821576338137 -382.0,3.290216590867629 -383.0,2.165686764654631 -384.0,3.037521270732949 -385.0,3.506866230617499 -386.0,3.3531368758778997 -387.0,3.0282349863100086 -388.0,3.3911942804562685 -389.0,3.533590102906167 -390.0,3.854334096291113 -391.0,3.8177858298094214 -392.0,3.9243871490104625 -393.0,4.099324659893703 -394.0,3.9376344065639026 -395.0,4.606205142987147 -396.0,3.8814641921775617 -397.0,4.365388411138144 -398.0,4.2572095755793535 -399.0,4.281264332813597 -400.0,4.6225332646416 -401.0,4.569959625595303 -402.0,4.941222836081543 -403.0,4.833832971569548 -404.0,5.750186934075738 -405.0,5.072087729752317 -406.0,5.142747717351433 -407.0,6.127561297304884 -408.0,8.372920048242806 -409.0,5.635828304483338 -410.0,5.686755951589446 -411.0,5.842723294636776 -412.0,5.612688298072137 -413.0,6.14073826470473 -414.0,6.471253005138077 -415.0,6.823406606374834 -416.0,6.120972948964504 -417.0,6.273123785260139 -418.0,6.666305761805692 -419.0,7.227918268383972 -420.0,7.659218514149384 -421.0,5.703657319678914 -422.0,6.950930616606962 -423.0,7.058106357107404 -424.0,7.511808290511704 -425.0,7.873389655501897 -426.0,7.697154773303714 -427.0,8.10484153838441 -428.0,8.359104943573483 -429.0,8.396841750122658 -430.0,8.176207071211547 -431.0,8.78960784290148 -432.0,8.963486903937106 -433.0,12.372076327591934 -434.0,9.648786548764301 -435.0,17.892127628037755 -436.0,13.087923313731363 -437.0,10.720812792556575 -438.0,9.917309837516477 -439.0,9.58091995744328 -440.0,10.483178917511534 -441.0,10.421915405080478 -442.0,10.458351402222164 -443.0,20.17205264710318 -444.0,10.137141396684374 -445.0,11.149176746176272 -446.0,11.533276169381324 -447.0,12.023919851037595 -448.0,12.04343700340002 -449.0,12.15243132529027 -450.0,11.387869645187326 -451.0,13.037942911333767 -452.0,13.112536787070889 -453.0,12.438104905361294 -454.0,8.81313464096937 -455.0,14.247764289110894 -456.0,14.180763628520447 -457.0,13.604454691248627 -458.0,13.610466867072335 -459.0,14.255906967164519 -460.0,15.381621705581805 -461.0,14.83738661909832 -462.0,14.669633412703716 -463.0,14.580539996665706 -464.0,14.412076566288945 -465.0,15.623389104533608 -466.0,15.64652967497602 -467.0,16.768064783671726 -468.0,17.75750473998638 -469.0,16.207483531986124 -470.0,18.41964631098413 -471.0,16.360041160479952 -472.0,17.303757007159888 -473.0,17.577107927431438 -474.0,17.879872990538217 -475.0,15.63776589971964 -476.0,20.315579260048196 -477.0,19.66579469385739 -478.0,18.94832081337918 -479.0,19.076160519186015 -480.0,20.027396725163552 -481.0,21.200760921199215 -482.0,8.62590910120966 -483.0,30.24145827121653 -484.0,21.286855558597892 -485.0,22.934429260978405 -486.0,21.15544931104773 -487.0,23.075328778011208 -488.0,23.156938799577027 -489.0,24.8031524265266 -490.0,23.112650414816976 -491.0,24.674504571287827 -492.0,23.409763637895416 -493.0,25.64265978559386 -494.0,22.029366985054764 -495.0,24.346844270868782 -496.0,25.90915196334932 -497.0,24.768443715283794 -498.0,25.3542850103745 -499.0,24.613511813581017 -500.0,28.061765367392706 diff --git a/examples/pcsaft/parameter_adjustment/data/hexane_viscosity.csv b/examples/pcsaft/parameter_adjustment/data/hexane_viscosity.csv deleted file mode 100644 index da39ea83b..000000000 --- a/examples/pcsaft/parameter_adjustment/data/hexane_viscosity.csv +++ /dev/null @@ -1,104 +0,0 @@ -temperature / K,pressure / bar,viscosity / mPas,phase -450.0,0.1,0.009434,vapor -450.0,1.1,0.0094218,vapor -450.0,2.1,0.009433899999999999,vapor -450.0,3.1,0.0094759,vapor -450.0,4.1,0.0095515,vapor -450.0,5.1,0.00966,vapor -450.0,6.1,0.009798399999999999,vapor -450.0,7.1,0.0099619,vapor -450.0,8.1,0.010146,vapor -450.0,9.1,0.010348,vapor -450.0,10.1,0.010565,vapor -450.0,11.1,0.010798,vapor -450.0,12.1,0.011049999999999999,vapor -450.0,12.329,0.011111,vapor -450.0,12.329,0.082036,liquid -450.0,13.1,0.082329,liquid -450.0,14.1,0.082705,liquid -450.0,15.1,0.083076,liquid -450.0,16.1,0.08344299999999999,liquid -450.0,17.1,0.083805,liquid -450.0,18.1,0.084163,liquid -450.0,19.1,0.08451800000000001,liquid -450.0,20.099999999999998,0.084868,liquid -450.0,21.1,0.085215,liquid -450.0,22.1,0.085558,liquid -450.0,23.1,0.08589699999999999,liquid -450.0,24.1,0.086233,liquid -450.0,25.1,0.08656599999999999,liquid -450.0,26.1,0.086896,liquid -450.0,27.1,0.087223,liquid -450.0,28.1,0.08754699999999999,liquid -450.0,29.1,0.087868,liquid -450.0,30.1,0.088187,liquid -450.0,31.1,0.088502,liquid -450.0,32.1,0.08881499999999999,liquid -450.0,33.1,0.089126,liquid -450.0,34.1,0.089434,liquid -450.0,35.1,0.08974,liquid -450.0,36.1,0.090043,liquid -450.0,37.1,0.090344,liquid -450.0,38.1,0.090643,liquid -450.0,39.1,0.09094,liquid -450.0,40.1,0.091235,liquid -450.0,41.1,0.091528,liquid -450.0,42.1,0.091818,liquid -450.0,43.1,0.09210700000000001,liquid -450.0,44.1,0.09239399999999999,liquid -450.0,45.1,0.092679,liquid -450.0,46.1,0.09296199999999999,liquid -450.0,47.1,0.09324400000000001,liquid -450.0,48.1,0.093524,liquid -450.0,49.1,0.093802,liquid -450.0,50.1,0.094078,liquid -450.0,51.1,0.09435299999999999,liquid -450.0,52.1,0.094626,liquid -450.0,53.1,0.094898,liquid -450.0,54.1,0.09516799999999999,liquid -450.0,55.1,0.095437,liquid -450.0,56.1,0.095704,liquid -450.0,57.1,0.09597,liquid -450.0,58.1,0.096234,liquid -450.0,59.1,0.09649699999999999,liquid -450.0,60.1,0.096759,liquid -450.0,61.1,0.09702,liquid -450.0,62.1,0.097279,liquid -450.0,63.1,0.097537,liquid -450.0,64.1,0.097793,liquid -450.0,65.1,0.098049,liquid -450.0,66.1,0.098303,liquid -450.0,67.1,0.09855599999999999,liquid -450.0,68.1,0.098808,liquid -450.0,69.1,0.099059,liquid -450.0,70.1,0.09930800000000001,liquid -450.0,71.1,0.09955699999999999,liquid -450.0,72.1,0.09980399999999999,liquid -450.0,73.1,0.10005,liquid -450.0,74.1,0.1003,liquid -450.0,75.1,0.10053999999999999,liquid -450.0,76.1,0.10078,liquid -450.0,77.1,0.10103,liquid -450.0,78.1,0.10127,liquid -450.0,79.1,0.10150999999999999,liquid -450.0,80.1,0.10175000000000001,liquid -450.0,81.1,0.10199,liquid -450.0,82.10000000000001,0.10221999999999999,liquid -450.0,83.10000000000001,0.10246000000000001,liquid -450.0,84.1,0.1027,liquid -450.0,85.1,0.10293000000000001,liquid -450.0,86.1,0.10317,liquid -450.0,87.1,0.1034,liquid -450.0,88.1,0.10363,liquid -450.0,89.1,0.10386,liquid -450.0,90.1,0.10409,liquid -450.0,91.1,0.10432,liquid -450.0,92.1,0.10454999999999999,liquid -450.0,93.1,0.10478,liquid -450.0,94.1,0.10500999999999999,liquid -450.0,95.1,0.10524,liquid -450.0,96.1,0.10546,liquid -450.0,97.1,0.10568999999999999,liquid -450.0,98.1,0.10590999999999999,liquid -450.0,99.1,0.10614,liquid -450.0,100.1,0.10636,liquid diff --git a/examples/pcsaft/pore_geometry.ipynb b/examples/pcsaft/pore_geometry.ipynb deleted file mode 100644 index 86a9bbe5f..000000000 --- a/examples/pcsaft/pore_geometry.ipynb +++ /dev/null @@ -1,177 +0,0 @@ -{ - "cells": [ - { - "cell_type": "code", - "execution_count": 1, - "metadata": {}, - "outputs": [], - "source": [ - "from feos.dft import *\n", - "from feos.pcsaft import PcSaftParameters\n", - "\n", - "import si_units as si\n", - "import matplotlib.pyplot as plt\n", - "import numpy as np" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": {}, - "outputs": [], - "source": [ - "params = PcSaftParameters.from_json([\"methanol\"], \"../../parameters/pcsaft/rehner2020.json\")\n", - "func = HelmholtzEnergyFunctional.pcsaft(params)\n", - "T = 350*si.KELVIN\n", - "state = State(func, T, pressure=si.BAR)\n", - "potential = ExternalPotential.LJ93(3.0, 100.0, 0.08)\n", - "#potential = ExternalPotential.Steele(3.0, 100.0, 0.08)" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots(1,2,figsize=(15,5))\n", - "\n", - "pore_sizes = [5,10,20]\n", - "slit_pore = Pore1D(Geometry.Cartesian, 100*si.ANGSTROM, potential, 4096).initialize(state)\n", - "cylindrical_pores = [Pore1D(Geometry.Cylindrical, r*si.ANGSTROM, potential).initialize(state) for r in pore_sizes]\n", - "spherical_pores = [Pore1D(Geometry.Spherical, r*si.ANGSTROM, potential).initialize(state) for r in pore_sizes]\n", - "\n", - "for cpore, spore, size in zip(cylindrical_pores, spherical_pores, pore_sizes):\n", - " ax[0].plot(cpore.r/si.ANGSTROM - size, cpore.external_potential.T, label=f'${size}$')\n", - " ax[1].plot(spore.r/si.ANGSTROM - size, spore.external_potential.T, label=f'${size}$')\n", - "for a in ax:\n", - " a.plot(slit_pore.z/si.ANGSTROM-50, slit_pore.external_potential.T, label='$\\infty$')\n", - " a.axis([-6,0,-20,55])\n", - " a.legend()" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": {}, - "outputs": [], - "source": [ - "pmin = 0.2*si.BAR\n", - "pmax = 2.5*si.BAR\n", - "cyl10 = Adsorption1D.equilibrium_isotherm(func, T, si.linspace(pmin, pmax, 151), Pore1D(Geometry.Cylindrical, 10*si.ANGSTROM, potential))\n", - "cyl20 = Adsorption1D.equilibrium_isotherm(func, T, si.linspace(pmin, pmax, 151), Pore1D(Geometry.Cylindrical, 20*si.ANGSTROM, potential))\n", - "#sph10 = Adsorption1D.equilibrium_isotherm(func, T, si.linspace(pmin, pmax, 151), Pore1D(Geometry.Spherical, 10*si.ANGSTROM, potential))\n", - "sph20 = Adsorption1D.equilibrium_isotherm(func, T, si.linspace(pmin, pmax, 151), Pore1D(Geometry.Spherical, 20*si.ANGSTROM, potential))\n", - "car10 = Adsorption1D.equilibrium_isotherm(func, T, si.linspace(pmin, pmax, 151), Pore1D(Geometry.Cartesian, 20*si.ANGSTROM, potential))\n", - "car20 = Adsorption1D.equilibrium_isotherm(func, T, si.linspace(pmin, pmax, 151), Pore1D(Geometry.Cartesian, 40*si.ANGSTROM, potential))" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "" - ] - }, - "execution_count": 5, - "metadata": {}, - "output_type": "execute_result" - }, - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.plot(cyl10.pressure/si.BAR, cyl10.total_adsorption/(np.pi*100*si.ANGSTROM**3)/(si.KILO*si.MOL/si.METER**3), 'r', label='cyl10')\n", - "plt.plot(cyl20.pressure/si.BAR, cyl20.total_adsorption/(np.pi*400*si.ANGSTROM**3)/(si.KILO*si.MOL/si.METER**3), 'r--', label='cyl20')\n", - "#plt.plot(sph10.pressure/si.BAR, sph10.total_adsorption/(4/3*np.pi*1000*si.ANGSTROM**3)/(si.KILO*si.MOL/si.METER**3), 'b', label='sph10')\n", - "plt.plot(sph20.pressure/si.BAR, sph20.total_adsorption/(4/3*np.pi*8000*si.ANGSTROM**3)/(si.KILO*si.MOL/si.METER**3), 'b--', label='sph20')\n", - "plt.plot(car10.pressure/si.BAR, car10.total_adsorption/(10*si.ANGSTROM**3)/(si.KILO*si.MOL/si.METER**3), 'g', label='car10')\n", - "plt.plot(car20.pressure/si.BAR, car20.total_adsorption/(20*si.ANGSTROM**3)/(si.KILO*si.MOL/si.METER**3), 'g--', label='car20')\n", - "plt.legend()" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots(1,2,figsize=(15,5))\n", - "\n", - "ax[0].plot(cyl10.profiles[-1].r/si.ANGSTROM, (cyl10.profiles[-1].density/(si.KILO*si.MOL/si.METER**3)).T, label='cyl10')\n", - "ax[1].plot(cyl20.profiles[-1].r/si.ANGSTROM, (cyl20.profiles[-1].density/(si.KILO*si.MOL/si.METER**3)).T, label='cyl20')\n", - "#ax[0].plot(sph10.profiles[-1].r/si.ANGSTROM, (sph10.profiles[-1].density/(si.KILO*si.MOL/si.METER**3)).T, label='sph10')\n", - "ax[1].plot(sph20.profiles[-1].r/si.ANGSTROM, (sph20.profiles[-1].density/(si.KILO*si.MOL/si.METER**3)).T, label='sph20')\n", - "ax[0].plot(car10.profiles[-1].r/si.ANGSTROM, (car10.profiles[-1].density/(si.KILO*si.MOL/si.METER**3)).T, label='car10')\n", - "ax[1].plot(car20.profiles[-1].r/si.ANGSTROM, (car20.profiles[-1].density/(si.KILO*si.MOL/si.METER**3)).T, label='car20')\n", - "\n", - "ax[0].set_xlim(0,10)\n", - "ax[1].set_xlim(0,20)\n", - "for a in ax:\n", - " a.set_ylim(0,50)\n", - " a.legend()" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 4 -} diff --git a/examples/pcsaft/structure_parameters/DREIDING.dat b/examples/pcsaft/structure_parameters/DREIDING.dat deleted file mode 100755 index a088272e1..000000000 --- a/examples/pcsaft/structure_parameters/DREIDING.dat +++ /dev/null @@ -1,6 +0,0 @@ - O 3.033 48.1581 15.999 - C 3.47299 47.8562 12.0107 - H 2.846 7.6489 1.00784 - N 3.2625 38.9492 14.0067 - B 3.581 47.8059 10.811 - Zn 1.330 109.471 65.38 \ No newline at end of file diff --git a/examples/pcsaft/structure_parameters/Dha.dat b/examples/pcsaft/structure_parameters/Dha.dat deleted file mode 100755 index c73e5e3d4..000000000 --- a/examples/pcsaft/structure_parameters/Dha.dat +++ /dev/null @@ -1,1760 +0,0 @@ - 9.56544 19.62731 2.04284 C - 30.01526 0.47774 2.04284 C - 29.51879 3.23690 2.04284 C - 10.06198 16.86815 2.04284 C - 30.34116 19.62731 2.04284 C - 9.89134 0.47774 2.04284 C - 10.38784 3.23690 2.04284 C - 29.84462 16.86815 2.04284 C - 11.12227 17.76820 2.04284 C - 28.41687 2.32799 2.04284 C - 31.07555 1.37779 2.04284 C - 8.46360 18.71844 2.04284 C - 28.78437 17.76820 2.04284 C - 11.48972 2.32799 2.04284 C - 8.83105 1.37779 2.04284 C - 31.44304 18.71844 2.04284 C - 7.70515 16.21247 2.04284 C - 31.96760 3.71481 2.04284 C - 27.65847 0.01261 2.04284 C - 12.01432 20.10525 2.04284 C - 32.20144 16.21247 2.04284 C - 7.93899 3.71481 2.04284 C - 12.24813 0.01261 2.04284 C - 27.89227 20.10525 2.04284 C - 10.88591 19.14664 2.04284 C - 28.67701 0.91507 2.04284 C - 30.83922 2.75623 2.04284 C - 8.72370 17.30552 2.04284 C - 29.02069 19.14664 2.04284 C - 11.22962 0.91507 2.04284 C - 9.06737 2.75623 2.04284 C - 31.18294 17.30552 2.04284 C - 3.02789 8.59954 2.04284 C - 36.87847 10.84423 2.04284 C - 22.98117 24.98995 2.04284 C - 16.92515 27.23464 2.04284 C - 36.87875 8.59954 2.04284 C - 3.02821 10.84423 2.04284 C - 16.92547 24.98995 2.04284 C - 22.98149 27.23464 2.04284 C - 4.35352 9.01969 2.04284 C - 35.55303 10.42486 2.04284 C - 24.30684 25.41014 2.04284 C - 15.59972 26.81527 2.04284 C - 35.55307 9.01969 2.04284 C - 4.35356 10.42486 2.04284 C - 15.59976 25.41014 2.04284 C - 24.30688 26.81527 2.04284 C - 21.13041 23.09649 2.04284 C - 18.77655 29.12589 2.04284 C - 1.17709 6.70607 2.04284 C - 38.72982 12.73548 2.04284 C - 18.77623 23.09649 2.04284 C - 21.13009 29.12589 2.04284 C - 38.72950 6.70607 2.04284 C - 1.17677 12.73548 2.04284 C - 20.62854 21.70882 2.04284 C - 19.27833 30.51368 2.04284 C - 0.67527 5.31838 2.04284 C - 39.23161 14.12327 2.04284 C - 19.27805 21.70882 2.04284 C - 20.62826 30.51368 2.04284 C - 39.23133 5.31838 2.04284 C - 0.67499 14.12327 2.04284 C - 2.49572 7.14943 2.04284 C - 37.41075 12.29352 2.04284 C - 22.44904 23.53984 2.04284 C - 17.45748 28.68396 2.04284 C - 37.41088 7.14943 2.04284 C - 2.49584 12.29352 2.04284 C - 17.45760 23.53984 2.04284 C - 22.44916 28.68396 2.04284 C - 1.33808 9.72120 2.04284 H - 21.29136 26.11164 2.04284 H - 38.56851 9.72120 2.04284 H - 18.61524 26.11164 2.04284 H - 5.22772 8.38311 2.04284 H - 34.67935 11.06209 2.04284 H - 25.18104 24.77352 2.04284 H - 14.72603 27.45251 2.04284 H - 34.67887 8.38311 2.04284 H - 5.22724 11.06209 2.04284 H - 14.72559 24.77352 2.04284 H - 25.18056 27.45251 2.04284 H - 21.24137 20.81738 2.04284 H - 18.66587 31.40561 2.04284 H - 1.28809 4.42694 2.04284 H - 38.61919 15.01517 2.04284 H - 18.66523 20.81738 2.04284 H - 21.24073 31.40561 2.04284 H - 38.61855 4.42694 2.04284 H - 1.28745 15.01517 2.04284 H - 12.13901 17.38826 2.04284 H - 8.05976 15.18529 2.04284 H - 30.24830 32.19860 2.04284 H - 31.75233 4.78064 2.04284 H - 8.39035 21.28574 2.04284 H - 26.34284 2.26630 2.04284 H - 32.09229 0.99782 2.04284 H - 28.01304 31.57570 2.04284 H - 10.29498 15.80822 2.04284 H - 11.79902 21.17108 2.04284 H - 28.34366 4.89536 2.04284 H - 6.38953 18.65674 2.04284 H - 27.76763 17.38826 2.04284 H - 31.84688 15.18529 2.04284 H - 9.65834 32.19860 2.04284 H - 8.15426 4.78064 2.04284 H - 31.51625 21.28574 2.04284 H - 13.56375 2.26630 2.04284 H - 7.81431 0.99782 2.04284 H - 11.89356 31.57570 2.04284 H - 29.61162 15.80822 2.04284 H - 28.10758 21.17108 2.04284 H - 11.56293 4.89536 2.04284 H - 33.51707 18.65674 2.04284 H - 13.24725 19.69536 2.04284 N - 26.38163 0.03308 2.04284 N - 33.20053 3.30492 2.04284 N - 6.42831 16.42349 2.04284 N - 26.65938 19.69536 2.04284 N - 13.52501 0.03308 2.04284 N - 6.70606 3.30492 2.04284 N - 33.47828 16.42349 2.04284 N - 2.29710 9.72178 2.04284 N - 22.25038 26.11216 2.04284 N - 37.60949 9.72178 2.04284 N - 17.65621 26.11216 2.04284 N - 19.95332 23.88194 2.04284 N - 19.95332 28.34017 2.04284 N - 0.00000 7.49150 2.04284 N - 0.00000 11.94976 2.04284 N - 9.37374 21.02436 2.04284 O - 27.12582 2.89646 2.04284 O - 29.32702 4.63392 2.04284 O - 7.17255 19.28684 2.04284 O - 30.53285 21.02436 2.04284 O - 12.78077 2.89646 2.04284 O - 10.57957 4.63392 2.04284 O - 32.73405 19.28684 2.04284 O - 3.54172 6.11189 2.04284 C - 5.61631 4.22713 2.04284 C - 4.68595 4.24437 0.99895 C - 3.65084 5.18616 0.99584 C - 5.49987 5.14031 3.09552 C - 4.46628 6.08370 3.09617 C - 4.78142 3.53615 0.18800 H - 2.94327 5.20692 0.17688 H - 6.22225 5.12212 3.89938 H - 4.39039 6.79980 3.90441 H - 5.47518 15.36092 2.04284 C - 3.53548 13.33771 2.04284 C - 4.55322 15.27540 3.09014 C - 3.58623 14.26347 3.09444 C - 5.42674 14.43789 0.99410 C - 4.46164 13.42421 0.99392 C - 4.58760 16.00282 3.88878 H - 2.87018 14.20556 3.90417 H - 6.13315 14.52107 0.18031 H - 4.42385 12.71599 0.17616 H - 16.41160 22.50230 2.04284 C - 14.33701 20.61754 2.04284 C - 15.48704 22.47411 0.98952 C - 14.45341 21.53068 0.99016 C - 16.30244 21.57660 3.08985 C - 15.26737 20.63478 3.08673 C - 15.56289 23.19025 0.18128 H - 13.73103 21.51256 0.18631 H - 17.01005 21.59736 3.90882 H - 15.17190 19.92656 3.89769 H - 14.47810 31.75136 2.04284 C - 16.41780 29.72816 2.04284 C - 15.49168 29.81465 3.09177 C - 14.52654 30.82834 3.09160 C - 16.36709 30.65392 0.99125 C - 15.40010 31.66585 0.99556 C - 15.52943 29.10643 3.90953 H - 13.82017 30.91151 3.90538 H - 17.08310 30.59597 0.18152 H - 15.36567 32.39326 0.19692 H - 23.49500 22.50230 2.04284 C - 25.56959 20.61754 2.04284 C - 24.63923 20.63478 0.99897 C - 23.60416 21.57660 0.99584 C - 25.45319 21.53068 3.09554 C - 24.41956 22.47414 3.09617 C - 24.73469 19.92659 0.18800 H - 22.89655 21.59736 0.17687 H - 26.17557 21.51256 3.89938 H - 24.34371 23.19025 3.90441 H - 25.42849 31.75136 2.04284 C - 23.48880 29.72816 2.04284 C - 23.53951 30.65392 3.09443 C - 24.50650 31.66585 3.09014 C - 24.41491 29.81465 0.99392 C - 25.38006 30.82834 0.99410 C - 22.82350 30.59597 3.90417 H - 24.54092 32.39326 3.88877 H - 24.37717 29.10643 0.17616 H - 26.08647 30.91151 0.18031 H - 36.36487 6.11189 2.04284 C - 34.29032 4.22713 2.04284 C - 35.44036 6.08370 0.98952 C - 34.40672 5.14031 0.99017 C - 36.25576 5.18616 3.08985 C - 35.22064 4.24437 3.08674 C - 35.51621 6.79980 0.18128 H - 33.68435 5.12212 0.18631 H - 36.96337 5.20692 3.90881 H - 35.12522 3.53615 3.89769 H - 34.43142 15.36092 2.04284 C - 36.37112 13.33771 2.04284 C - 34.47985 14.43789 3.09159 C - 35.44496 13.42421 3.09177 C - 35.35338 15.27540 0.99555 C - 36.32036 14.26347 0.99125 C - 33.77345 14.52107 3.90538 H - 35.48275 12.71599 3.90953 H - 35.31899 16.00282 0.19691 H - 37.03642 14.20556 0.18152 H - 9.56544 19.62731 6.04284 C - 30.01526 0.47774 6.04284 C - 29.51879 3.23690 6.04284 C - 10.06198 16.86815 6.04284 C - 30.34116 19.62731 6.04284 C - 9.89134 0.47774 6.04284 C - 10.38784 3.23690 6.04284 C - 29.84462 16.86815 6.04284 C - 11.12227 17.76820 6.04284 C - 28.41687 2.32799 6.04284 C - 31.07555 1.37779 6.04284 C - 8.46360 18.71844 6.04284 C - 28.78437 17.76820 6.04284 C - 11.48972 2.32799 6.04284 C - 8.83105 1.37779 6.04284 C - 31.44304 18.71844 6.04284 C - 7.70515 16.21247 6.04284 C - 31.96760 3.71481 6.04284 C - 27.65847 0.01261 6.04284 C - 12.01432 20.10525 6.04284 C - 32.20144 16.21247 6.04284 C - 7.93899 3.71481 6.04284 C - 12.24813 0.01261 6.04284 C - 27.89227 20.10525 6.04284 C - 10.88591 19.14664 6.04284 C - 28.67701 0.91507 6.04284 C - 30.83922 2.75623 6.04284 C - 8.72370 17.30552 6.04284 C - 29.02069 19.14664 6.04284 C - 11.22962 0.91507 6.04284 C - 9.06737 2.75623 6.04284 C - 31.18294 17.30552 6.04284 C - 3.02789 8.59954 6.04284 C - 36.87847 10.84423 6.04284 C - 22.98117 24.98995 6.04284 C - 16.92515 27.23464 6.04284 C - 36.87875 8.59954 6.04284 C - 3.02821 10.84423 6.04284 C - 16.92547 24.98995 6.04284 C - 22.98149 27.23464 6.04284 C - 4.35352 9.01969 6.04284 C - 35.55303 10.42486 6.04284 C - 24.30684 25.41014 6.04284 C - 15.59972 26.81527 6.04284 C - 35.55307 9.01969 6.04284 C - 4.35356 10.42486 6.04284 C - 15.59976 25.41014 6.04284 C - 24.30688 26.81527 6.04284 C - 21.13041 23.09649 6.04284 C - 18.77655 29.12589 6.04284 C - 1.17709 6.70607 6.04284 C - 38.72982 12.73548 6.04284 C - 18.77623 23.09649 6.04284 C - 21.13009 29.12589 6.04284 C - 38.72950 6.70607 6.04284 C - 1.17677 12.73548 6.04284 C - 20.62854 21.70882 6.04284 C - 19.27833 30.51368 6.04284 C - 0.67527 5.31838 6.04284 C - 39.23161 14.12327 6.04284 C - 19.27805 21.70882 6.04284 C - 20.62826 30.51368 6.04284 C - 39.23133 5.31838 6.04284 C - 0.67499 14.12327 6.04284 C - 2.49572 7.14943 6.04284 C - 37.41075 12.29352 6.04284 C - 22.44904 23.53984 6.04284 C - 17.45748 28.68396 6.04284 C - 37.41088 7.14943 6.04284 C - 2.49584 12.29352 6.04284 C - 17.45760 23.53984 6.04284 C - 22.44916 28.68396 6.04284 C - 1.33808 9.72120 6.04284 H - 21.29136 26.11164 6.04284 H - 38.56851 9.72120 6.04284 H - 18.61524 26.11164 6.04284 H - 5.22772 8.38311 6.04284 H - 34.67935 11.06209 6.04284 H - 25.18104 24.77352 6.04284 H - 14.72603 27.45251 6.04284 H - 34.67887 8.38311 6.04284 H - 5.22724 11.06209 6.04284 H - 14.72559 24.77352 6.04284 H - 25.18056 27.45251 6.04284 H - 21.24137 20.81738 6.04284 H - 18.66587 31.40561 6.04284 H - 1.28809 4.42694 6.04284 H - 38.61919 15.01517 6.04284 H - 18.66523 20.81738 6.04284 H - 21.24073 31.40561 6.04284 H - 38.61855 4.42694 6.04284 H - 1.28745 15.01517 6.04284 H - 12.13901 17.38826 6.04284 H - 8.05976 15.18529 6.04284 H - 30.24830 32.19860 6.04284 H - 31.75233 4.78064 6.04284 H - 8.39035 21.28574 6.04284 H - 26.34284 2.26630 6.04284 H - 32.09229 0.99782 6.04284 H - 28.01304 31.57570 6.04284 H - 10.29498 15.80822 6.04284 H - 11.79902 21.17108 6.04284 H - 28.34366 4.89536 6.04284 H - 6.38953 18.65674 6.04284 H - 27.76763 17.38826 6.04284 H - 31.84688 15.18529 6.04284 H - 9.65834 32.19860 6.04284 H - 8.15426 4.78064 6.04284 H - 31.51625 21.28574 6.04284 H - 13.56375 2.26630 6.04284 H - 7.81431 0.99782 6.04284 H - 11.89356 31.57570 6.04284 H - 29.61162 15.80822 6.04284 H - 28.10758 21.17108 6.04284 H - 11.56293 4.89536 6.04284 H - 33.51707 18.65674 6.04284 H - 13.24725 19.69536 6.04284 N - 26.38163 0.03308 6.04284 N - 33.20053 3.30492 6.04284 N - 6.42831 16.42349 6.04284 N - 26.65938 19.69536 6.04284 N - 13.52501 0.03308 6.04284 N - 6.70606 3.30492 6.04284 N - 33.47828 16.42349 6.04284 N - 2.29710 9.72178 6.04284 N - 22.25038 26.11216 6.04284 N - 37.60949 9.72178 6.04284 N - 17.65621 26.11216 6.04284 N - 19.95332 23.88194 6.04284 N - 19.95332 28.34017 6.04284 N - 0.00000 7.49150 6.04284 N - 0.00000 11.94976 6.04284 N - 9.37374 21.02436 6.04284 O - 27.12582 2.89646 6.04284 O - 29.32702 4.63392 6.04284 O - 7.17255 19.28684 6.04284 O - 30.53285 21.02436 6.04284 O - 12.78077 2.89646 6.04284 O - 10.57957 4.63392 6.04284 O - 32.73405 19.28684 6.04284 O - 3.54172 6.11189 6.04284 C - 5.61631 4.22713 6.04284 C - 4.68595 4.24437 4.99895 C - 3.65084 5.18616 4.99584 C - 5.49987 5.14031 7.09552 C - 4.46628 6.08370 7.09617 C - 4.78142 3.53615 4.18800 H - 2.94327 5.20692 4.17688 H - 6.22225 5.12212 7.89938 H - 4.39039 6.79980 7.90441 H - 5.47518 15.36092 6.04284 C - 3.53548 13.33771 6.04284 C - 4.55322 15.27540 7.09014 C - 3.58623 14.26347 7.09444 C - 5.42674 14.43789 4.99410 C - 4.46164 13.42421 4.99392 C - 4.58760 16.00282 7.88878 H - 2.87018 14.20556 7.90417 H - 6.13315 14.52107 4.18031 H - 4.42385 12.71599 4.17616 H - 16.41160 22.50230 6.04284 C - 14.33701 20.61754 6.04284 C - 15.48704 22.47411 4.98952 C - 14.45341 21.53068 4.99016 C - 16.30244 21.57660 7.08985 C - 15.26737 20.63478 7.08673 C - 15.56289 23.19025 4.18128 H - 13.73103 21.51256 4.18631 H - 17.01005 21.59736 7.90882 H - 15.17190 19.92656 7.89769 H - 14.47810 31.75136 6.04284 C - 16.41780 29.72816 6.04284 C - 15.49168 29.81465 7.09177 C - 14.52654 30.82834 7.09160 C - 16.36709 30.65392 4.99125 C - 15.40010 31.66585 4.99556 C - 15.52943 29.10643 7.90953 H - 13.82017 30.91151 7.90538 H - 17.08310 30.59597 4.18152 H - 15.36567 32.39326 4.19692 H - 23.49500 22.50230 6.04284 C - 25.56959 20.61754 6.04284 C - 24.63923 20.63478 4.99897 C - 23.60416 21.57660 4.99584 C - 25.45319 21.53068 7.09554 C - 24.41956 22.47414 7.09617 C - 24.73469 19.92659 4.18800 H - 22.89655 21.59736 4.17687 H - 26.17557 21.51256 7.89938 H - 24.34371 23.19025 7.90441 H - 25.42849 31.75136 6.04284 C - 23.48880 29.72816 6.04284 C - 23.53951 30.65392 7.09443 C - 24.50650 31.66585 7.09014 C - 24.41491 29.81465 4.99392 C - 25.38006 30.82834 4.99410 C - 22.82350 30.59597 7.90417 H - 24.54092 32.39326 7.88877 H - 24.37717 29.10643 4.17616 H - 26.08647 30.91151 4.18031 H - 36.36487 6.11189 6.04284 C - 34.29032 4.22713 6.04284 C - 35.44036 6.08370 4.98952 C - 34.40672 5.14031 4.99017 C - 36.25576 5.18616 7.08985 C - 35.22064 4.24437 7.08674 C - 35.51621 6.79980 4.18128 H - 33.68435 5.12212 4.18631 H - 36.96337 5.20692 7.90881 H - 35.12522 3.53615 7.89769 H - 34.43142 15.36092 6.04284 C - 36.37112 13.33771 6.04284 C - 34.47985 14.43789 7.09159 C - 35.44496 13.42421 7.09177 C - 35.35338 15.27540 4.99555 C - 36.32036 14.26347 4.99125 C - 33.77345 14.52107 7.90538 H - 35.48275 12.71599 7.90953 H - 35.31899 16.00282 4.19691 H - 37.03642 14.20556 4.18152 H - 9.56544 19.62731 10.04284 C - 30.01526 0.47774 10.04284 C - 29.51879 3.23690 10.04284 C - 10.06198 16.86815 10.04284 C - 30.34116 19.62731 10.04284 C - 9.89134 0.47774 10.04284 C - 10.38784 3.23690 10.04284 C - 29.84462 16.86815 10.04284 C - 11.12227 17.76820 10.04284 C - 28.41687 2.32799 10.04284 C - 31.07555 1.37779 10.04284 C - 8.46360 18.71844 10.04284 C - 28.78437 17.76820 10.04284 C - 11.48972 2.32799 10.04284 C - 8.83105 1.37779 10.04284 C - 31.44304 18.71844 10.04284 C - 7.70515 16.21247 10.04284 C - 31.96760 3.71481 10.04284 C - 27.65847 0.01261 10.04284 C - 12.01432 20.10525 10.04284 C - 32.20144 16.21247 10.04284 C - 7.93899 3.71481 10.04284 C - 12.24813 0.01261 10.04284 C - 27.89227 20.10525 10.04284 C - 10.88591 19.14664 10.04284 C - 28.67701 0.91507 10.04284 C - 30.83922 2.75623 10.04284 C - 8.72370 17.30552 10.04284 C - 29.02069 19.14664 10.04284 C - 11.22962 0.91507 10.04284 C - 9.06737 2.75623 10.04284 C - 31.18294 17.30552 10.04284 C - 3.02789 8.59954 10.04284 C - 36.87847 10.84423 10.04284 C - 22.98117 24.98995 10.04284 C - 16.92515 27.23464 10.04284 C - 36.87875 8.59954 10.04284 C - 3.02821 10.84423 10.04284 C - 16.92547 24.98995 10.04284 C - 22.98149 27.23464 10.04284 C - 4.35352 9.01969 10.04284 C - 35.55303 10.42486 10.04284 C - 24.30684 25.41014 10.04284 C - 15.59972 26.81527 10.04284 C - 35.55307 9.01969 10.04284 C - 4.35356 10.42486 10.04284 C - 15.59976 25.41014 10.04284 C - 24.30688 26.81527 10.04284 C - 21.13041 23.09649 10.04284 C - 18.77655 29.12589 10.04284 C - 1.17709 6.70607 10.04284 C - 38.72982 12.73548 10.04284 C - 18.77623 23.09649 10.04284 C - 21.13009 29.12589 10.04284 C - 38.72950 6.70607 10.04284 C - 1.17677 12.73548 10.04284 C - 20.62854 21.70882 10.04284 C - 19.27833 30.51368 10.04284 C - 0.67527 5.31838 10.04284 C - 39.23161 14.12327 10.04284 C - 19.27805 21.70882 10.04284 C - 20.62826 30.51368 10.04284 C - 39.23133 5.31838 10.04284 C - 0.67499 14.12327 10.04284 C - 2.49572 7.14943 10.04284 C - 37.41075 12.29352 10.04284 C - 22.44904 23.53984 10.04284 C - 17.45748 28.68396 10.04284 C - 37.41088 7.14943 10.04284 C - 2.49584 12.29352 10.04284 C - 17.45760 23.53984 10.04284 C - 22.44916 28.68396 10.04284 C - 1.33808 9.72120 10.04284 H - 21.29136 26.11164 10.04284 H - 38.56851 9.72120 10.04284 H - 18.61524 26.11164 10.04284 H - 5.22772 8.38311 10.04284 H - 34.67935 11.06209 10.04284 H - 25.18104 24.77352 10.04284 H - 14.72603 27.45251 10.04284 H - 34.67887 8.38311 10.04284 H - 5.22724 11.06209 10.04284 H - 14.72559 24.77352 10.04284 H - 25.18056 27.45251 10.04284 H - 21.24137 20.81738 10.04284 H - 18.66587 31.40561 10.04284 H - 1.28809 4.42694 10.04284 H - 38.61919 15.01517 10.04284 H - 18.66523 20.81738 10.04284 H - 21.24073 31.40561 10.04284 H - 38.61855 4.42694 10.04284 H - 1.28745 15.01517 10.04284 H - 12.13901 17.38826 10.04284 H - 8.05976 15.18529 10.04284 H - 30.24830 32.19860 10.04284 H - 31.75233 4.78064 10.04284 H - 8.39035 21.28574 10.04284 H - 26.34284 2.26630 10.04284 H - 32.09229 0.99782 10.04284 H - 28.01304 31.57570 10.04284 H - 10.29498 15.80822 10.04284 H - 11.79902 21.17108 10.04284 H - 28.34366 4.89536 10.04284 H - 6.38953 18.65674 10.04284 H - 27.76763 17.38826 10.04284 H - 31.84688 15.18529 10.04284 H - 9.65834 32.19860 10.04284 H - 8.15426 4.78064 10.04284 H - 31.51625 21.28574 10.04284 H - 13.56375 2.26630 10.04284 H - 7.81431 0.99782 10.04284 H - 11.89356 31.57570 10.04284 H - 29.61162 15.80822 10.04284 H - 28.10758 21.17108 10.04284 H - 11.56293 4.89536 10.04284 H - 33.51707 18.65674 10.04284 H - 13.24725 19.69536 10.04284 N - 26.38163 0.03308 10.04284 N - 33.20053 3.30492 10.04284 N - 6.42831 16.42349 10.04284 N - 26.65938 19.69536 10.04284 N - 13.52501 0.03308 10.04284 N - 6.70606 3.30492 10.04284 N - 33.47828 16.42349 10.04284 N - 2.29710 9.72178 10.04284 N - 22.25038 26.11216 10.04284 N - 37.60949 9.72178 10.04284 N - 17.65621 26.11216 10.04284 N - 19.95332 23.88194 10.04284 N - 19.95332 28.34017 10.04284 N - 0.00000 7.49150 10.04284 N - 0.00000 11.94976 10.04284 N - 9.37374 21.02436 10.04284 O - 27.12582 2.89646 10.04284 O - 29.32702 4.63392 10.04284 O - 7.17255 19.28684 10.04284 O - 30.53285 21.02436 10.04284 O - 12.78077 2.89646 10.04284 O - 10.57957 4.63392 10.04284 O - 32.73405 19.28684 10.04284 O - 3.54172 6.11189 10.04284 C - 5.61631 4.22713 10.04284 C - 4.68595 4.24437 8.99895 C - 3.65084 5.18616 8.99584 C - 5.49987 5.14031 11.09552 C - 4.46628 6.08370 11.09617 C - 4.78142 3.53615 8.18800 H - 2.94327 5.20692 8.17688 H - 6.22225 5.12212 11.89938 H - 4.39039 6.79980 11.90441 H - 5.47518 15.36092 10.04284 C - 3.53548 13.33771 10.04284 C - 4.55322 15.27540 11.09014 C - 3.58623 14.26347 11.09444 C - 5.42674 14.43789 8.99410 C - 4.46164 13.42421 8.99392 C - 4.58760 16.00282 11.88878 H - 2.87018 14.20556 11.90417 H - 6.13315 14.52107 8.18031 H - 4.42385 12.71599 8.17616 H - 16.41160 22.50230 10.04284 C - 14.33701 20.61754 10.04284 C - 15.48704 22.47411 8.98952 C - 14.45341 21.53068 8.99016 C - 16.30244 21.57660 11.08985 C - 15.26737 20.63478 11.08673 C - 15.56289 23.19025 8.18128 H - 13.73103 21.51256 8.18631 H - 17.01005 21.59736 11.90882 H - 15.17190 19.92656 11.89769 H - 14.47810 31.75136 10.04284 C - 16.41780 29.72816 10.04284 C - 15.49168 29.81465 11.09177 C - 14.52654 30.82834 11.09160 C - 16.36709 30.65392 8.99125 C - 15.40010 31.66585 8.99556 C - 15.52943 29.10643 11.90953 H - 13.82017 30.91151 11.90538 H - 17.08310 30.59597 8.18152 H - 15.36567 32.39326 8.19692 H - 23.49500 22.50230 10.04284 C - 25.56959 20.61754 10.04284 C - 24.63923 20.63478 8.99897 C - 23.60416 21.57660 8.99584 C - 25.45319 21.53068 11.09554 C - 24.41956 22.47414 11.09617 C - 24.73469 19.92659 8.18800 H - 22.89655 21.59736 8.17687 H - 26.17557 21.51256 11.89938 H - 24.34371 23.19025 11.90441 H - 25.42849 31.75136 10.04284 C - 23.48880 29.72816 10.04284 C - 23.53951 30.65392 11.09443 C - 24.50650 31.66585 11.09014 C - 24.41491 29.81465 8.99392 C - 25.38006 30.82834 8.99410 C - 22.82350 30.59597 11.90417 H - 24.54092 32.39326 11.88877 H - 24.37717 29.10643 8.17616 H - 26.08647 30.91151 8.18031 H - 36.36487 6.11189 10.04284 C - 34.29032 4.22713 10.04284 C - 35.44036 6.08370 8.98952 C - 34.40672 5.14031 8.99017 C - 36.25576 5.18616 11.08985 C - 35.22064 4.24437 11.08674 C - 35.51621 6.79980 8.18128 H - 33.68435 5.12212 8.18631 H - 36.96337 5.20692 11.90881 H - 35.12522 3.53615 11.89769 H - 34.43142 15.36092 10.04284 C - 36.37112 13.33771 10.04284 C - 34.47985 14.43789 11.09159 C - 35.44496 13.42421 11.09177 C - 35.35338 15.27540 8.99555 C - 36.32036 14.26347 8.99125 C - 33.77345 14.52107 11.90538 H - 35.48275 12.71599 11.90953 H - 35.31899 16.00282 8.19691 H - 37.03642 14.20556 8.18152 H - 9.56544 19.62731 14.04284 C - 30.01526 0.47774 14.04284 C - 29.51879 3.23690 14.04284 C - 10.06198 16.86815 14.04284 C - 30.34116 19.62731 14.04284 C - 9.89134 0.47774 14.04284 C - 10.38784 3.23690 14.04284 C - 29.84462 16.86815 14.04284 C - 11.12227 17.76820 14.04284 C - 28.41687 2.32799 14.04284 C - 31.07555 1.37779 14.04284 C - 8.46360 18.71844 14.04284 C - 28.78437 17.76820 14.04284 C - 11.48972 2.32799 14.04284 C - 8.83105 1.37779 14.04284 C - 31.44304 18.71844 14.04284 C - 7.70515 16.21247 14.04284 C - 31.96760 3.71481 14.04284 C - 27.65847 0.01261 14.04284 C - 12.01432 20.10525 14.04284 C - 32.20144 16.21247 14.04284 C - 7.93899 3.71481 14.04284 C - 12.24813 0.01261 14.04284 C - 27.89227 20.10525 14.04284 C - 10.88591 19.14664 14.04284 C - 28.67701 0.91507 14.04284 C - 30.83922 2.75623 14.04284 C - 8.72370 17.30552 14.04284 C - 29.02069 19.14664 14.04284 C - 11.22962 0.91507 14.04284 C - 9.06737 2.75623 14.04284 C - 31.18294 17.30552 14.04284 C - 3.02789 8.59954 14.04284 C - 36.87847 10.84423 14.04284 C - 22.98117 24.98995 14.04284 C - 16.92515 27.23464 14.04284 C - 36.87875 8.59954 14.04284 C - 3.02821 10.84423 14.04284 C - 16.92547 24.98995 14.04284 C - 22.98149 27.23464 14.04284 C - 4.35352 9.01969 14.04284 C - 35.55303 10.42486 14.04284 C - 24.30684 25.41014 14.04284 C - 15.59972 26.81527 14.04284 C - 35.55307 9.01969 14.04284 C - 4.35356 10.42486 14.04284 C - 15.59976 25.41014 14.04284 C - 24.30688 26.81527 14.04284 C - 21.13041 23.09649 14.04284 C - 18.77655 29.12589 14.04284 C - 1.17709 6.70607 14.04284 C - 38.72982 12.73548 14.04284 C - 18.77623 23.09649 14.04284 C - 21.13009 29.12589 14.04284 C - 38.72950 6.70607 14.04284 C - 1.17677 12.73548 14.04284 C - 20.62854 21.70882 14.04284 C - 19.27833 30.51368 14.04284 C - 0.67527 5.31838 14.04284 C - 39.23161 14.12327 14.04284 C - 19.27805 21.70882 14.04284 C - 20.62826 30.51368 14.04284 C - 39.23133 5.31838 14.04284 C - 0.67499 14.12327 14.04284 C - 2.49572 7.14943 14.04284 C - 37.41075 12.29352 14.04284 C - 22.44904 23.53984 14.04284 C - 17.45748 28.68396 14.04284 C - 37.41088 7.14943 14.04284 C - 2.49584 12.29352 14.04284 C - 17.45760 23.53984 14.04284 C - 22.44916 28.68396 14.04284 C - 1.33808 9.72120 14.04284 H - 21.29136 26.11164 14.04284 H - 38.56851 9.72120 14.04284 H - 18.61524 26.11164 14.04284 H - 5.22772 8.38311 14.04284 H - 34.67935 11.06209 14.04284 H - 25.18104 24.77352 14.04284 H - 14.72603 27.45251 14.04284 H - 34.67887 8.38311 14.04284 H - 5.22724 11.06209 14.04284 H - 14.72559 24.77352 14.04284 H - 25.18056 27.45251 14.04284 H - 21.24137 20.81738 14.04284 H - 18.66587 31.40561 14.04284 H - 1.28809 4.42694 14.04284 H - 38.61919 15.01517 14.04284 H - 18.66523 20.81738 14.04284 H - 21.24073 31.40561 14.04284 H - 38.61855 4.42694 14.04284 H - 1.28745 15.01517 14.04284 H - 12.13901 17.38826 14.04284 H - 8.05976 15.18529 14.04284 H - 30.24830 32.19860 14.04284 H - 31.75233 4.78064 14.04284 H - 8.39035 21.28574 14.04284 H - 26.34284 2.26630 14.04284 H - 32.09229 0.99782 14.04284 H - 28.01304 31.57570 14.04284 H - 10.29498 15.80822 14.04284 H - 11.79902 21.17108 14.04284 H - 28.34366 4.89536 14.04284 H - 6.38953 18.65674 14.04284 H - 27.76763 17.38826 14.04284 H - 31.84688 15.18529 14.04284 H - 9.65834 32.19860 14.04284 H - 8.15426 4.78064 14.04284 H - 31.51625 21.28574 14.04284 H - 13.56375 2.26630 14.04284 H - 7.81431 0.99782 14.04284 H - 11.89356 31.57570 14.04284 H - 29.61162 15.80822 14.04284 H - 28.10758 21.17108 14.04284 H - 11.56293 4.89536 14.04284 H - 33.51707 18.65674 14.04284 H - 13.24725 19.69536 14.04284 N - 26.38163 0.03308 14.04284 N - 33.20053 3.30492 14.04284 N - 6.42831 16.42349 14.04284 N - 26.65938 19.69536 14.04284 N - 13.52501 0.03308 14.04284 N - 6.70606 3.30492 14.04284 N - 33.47828 16.42349 14.04284 N - 2.29710 9.72178 14.04284 N - 22.25038 26.11216 14.04284 N - 37.60949 9.72178 14.04284 N - 17.65621 26.11216 14.04284 N - 19.95332 23.88194 14.04284 N - 19.95332 28.34017 14.04284 N - 0.00000 7.49150 14.04284 N - 0.00000 11.94976 14.04284 N - 9.37374 21.02436 14.04284 O - 27.12582 2.89646 14.04284 O - 29.32702 4.63392 14.04284 O - 7.17255 19.28684 14.04284 O - 30.53285 21.02436 14.04284 O - 12.78077 2.89646 14.04284 O - 10.57957 4.63392 14.04284 O - 32.73405 19.28684 14.04284 O - 3.54172 6.11189 14.04284 C - 5.61631 4.22713 14.04284 C - 4.68595 4.24437 12.99895 C - 3.65084 5.18616 12.99584 C - 5.49987 5.14031 15.09552 C - 4.46628 6.08370 15.09617 C - 4.78142 3.53615 12.18800 H - 2.94327 5.20692 12.17688 H - 6.22225 5.12212 15.89938 H - 4.39039 6.79980 15.90441 H - 5.47518 15.36092 14.04284 C - 3.53548 13.33771 14.04284 C - 4.55322 15.27540 15.09014 C - 3.58623 14.26347 15.09444 C - 5.42674 14.43789 12.99410 C - 4.46164 13.42421 12.99392 C - 4.58760 16.00282 15.88878 H - 2.87018 14.20556 15.90417 H - 6.13315 14.52107 12.18031 H - 4.42385 12.71599 12.17616 H - 16.41160 22.50230 14.04284 C - 14.33701 20.61754 14.04284 C - 15.48704 22.47411 12.98952 C - 14.45341 21.53068 12.99016 C - 16.30244 21.57660 15.08985 C - 15.26737 20.63478 15.08673 C - 15.56289 23.19025 12.18128 H - 13.73103 21.51256 12.18631 H - 17.01005 21.59736 15.90882 H - 15.17190 19.92656 15.89769 H - 14.47810 31.75136 14.04284 C - 16.41780 29.72816 14.04284 C - 15.49168 29.81465 15.09177 C - 14.52654 30.82834 15.09160 C - 16.36709 30.65392 12.99125 C - 15.40010 31.66585 12.99556 C - 15.52943 29.10643 15.90953 H - 13.82017 30.91151 15.90538 H - 17.08310 30.59597 12.18152 H - 15.36567 32.39326 12.19692 H - 23.49500 22.50230 14.04284 C - 25.56959 20.61754 14.04284 C - 24.63923 20.63478 12.99897 C - 23.60416 21.57660 12.99584 C - 25.45319 21.53068 15.09554 C - 24.41956 22.47414 15.09617 C - 24.73469 19.92659 12.18800 H - 22.89655 21.59736 12.17687 H - 26.17557 21.51256 15.89938 H - 24.34371 23.19025 15.90441 H - 25.42849 31.75136 14.04284 C - 23.48880 29.72816 14.04284 C - 23.53951 30.65392 15.09443 C - 24.50650 31.66585 15.09014 C - 24.41491 29.81465 12.99392 C - 25.38006 30.82834 12.99410 C - 22.82350 30.59597 15.90417 H - 24.54092 32.39326 15.88877 H - 24.37717 29.10643 12.17616 H - 26.08647 30.91151 12.18031 H - 36.36487 6.11189 14.04284 C - 34.29032 4.22713 14.04284 C - 35.44036 6.08370 12.98952 C - 34.40672 5.14031 12.99017 C - 36.25576 5.18616 15.08985 C - 35.22064 4.24437 15.08674 C - 35.51621 6.79980 12.18128 H - 33.68435 5.12212 12.18631 H - 36.96337 5.20692 15.90881 H - 35.12522 3.53615 15.89769 H - 34.43142 15.36092 14.04284 C - 36.37112 13.33771 14.04284 C - 34.47985 14.43789 15.09159 C - 35.44496 13.42421 15.09177 C - 35.35338 15.27540 12.99555 C - 36.32036 14.26347 12.99125 C - 33.77345 14.52107 15.90538 H - 35.48275 12.71599 15.90953 H - 35.31899 16.00282 12.19691 H - 37.03642 14.20556 12.18152 H - 9.56544 19.62731 18.04284 C - 30.01526 0.47774 18.04284 C - 29.51879 3.23690 18.04284 C - 10.06198 16.86815 18.04284 C - 30.34116 19.62731 18.04284 C - 9.89134 0.47774 18.04284 C - 10.38784 3.23690 18.04284 C - 29.84462 16.86815 18.04284 C - 11.12227 17.76820 18.04284 C - 28.41687 2.32799 18.04284 C - 31.07555 1.37779 18.04284 C - 8.46360 18.71844 18.04284 C - 28.78437 17.76820 18.04284 C - 11.48972 2.32799 18.04284 C - 8.83105 1.37779 18.04284 C - 31.44304 18.71844 18.04284 C - 7.70515 16.21247 18.04284 C - 31.96760 3.71481 18.04284 C - 27.65847 0.01261 18.04284 C - 12.01432 20.10525 18.04284 C - 32.20144 16.21247 18.04284 C - 7.93899 3.71481 18.04284 C - 12.24813 0.01261 18.04284 C - 27.89227 20.10525 18.04284 C - 10.88591 19.14664 18.04284 C - 28.67701 0.91507 18.04284 C - 30.83922 2.75623 18.04284 C - 8.72370 17.30552 18.04284 C - 29.02069 19.14664 18.04284 C - 11.22962 0.91507 18.04284 C - 9.06737 2.75623 18.04284 C - 31.18294 17.30552 18.04284 C - 3.02789 8.59954 18.04284 C - 36.87847 10.84423 18.04284 C - 22.98117 24.98995 18.04284 C - 16.92515 27.23464 18.04284 C - 36.87875 8.59954 18.04284 C - 3.02821 10.84423 18.04284 C - 16.92547 24.98995 18.04284 C - 22.98149 27.23464 18.04284 C - 4.35352 9.01969 18.04284 C - 35.55303 10.42486 18.04284 C - 24.30684 25.41014 18.04284 C - 15.59972 26.81527 18.04284 C - 35.55307 9.01969 18.04284 C - 4.35356 10.42486 18.04284 C - 15.59976 25.41014 18.04284 C - 24.30688 26.81527 18.04284 C - 21.13041 23.09649 18.04284 C - 18.77655 29.12589 18.04284 C - 1.17709 6.70607 18.04284 C - 38.72982 12.73548 18.04284 C - 18.77623 23.09649 18.04284 C - 21.13009 29.12589 18.04284 C - 38.72950 6.70607 18.04284 C - 1.17677 12.73548 18.04284 C - 20.62854 21.70882 18.04284 C - 19.27833 30.51368 18.04284 C - 0.67527 5.31838 18.04284 C - 39.23161 14.12327 18.04284 C - 19.27805 21.70882 18.04284 C - 20.62826 30.51368 18.04284 C - 39.23133 5.31838 18.04284 C - 0.67499 14.12327 18.04284 C - 2.49572 7.14943 18.04284 C - 37.41075 12.29352 18.04284 C - 22.44904 23.53984 18.04284 C - 17.45748 28.68396 18.04284 C - 37.41088 7.14943 18.04284 C - 2.49584 12.29352 18.04284 C - 17.45760 23.53984 18.04284 C - 22.44916 28.68396 18.04284 C - 1.33808 9.72120 18.04284 H - 21.29136 26.11164 18.04284 H - 38.56851 9.72120 18.04284 H - 18.61524 26.11164 18.04284 H - 5.22772 8.38311 18.04284 H - 34.67935 11.06209 18.04284 H - 25.18104 24.77352 18.04284 H - 14.72603 27.45251 18.04284 H - 34.67887 8.38311 18.04284 H - 5.22724 11.06209 18.04284 H - 14.72559 24.77352 18.04284 H - 25.18056 27.45251 18.04284 H - 21.24137 20.81738 18.04284 H - 18.66587 31.40561 18.04284 H - 1.28809 4.42694 18.04284 H - 38.61919 15.01517 18.04284 H - 18.66523 20.81738 18.04284 H - 21.24073 31.40561 18.04284 H - 38.61855 4.42694 18.04284 H - 1.28745 15.01517 18.04284 H - 12.13901 17.38826 18.04284 H - 8.05976 15.18529 18.04284 H - 30.24830 32.19860 18.04284 H - 31.75233 4.78064 18.04284 H - 8.39035 21.28574 18.04284 H - 26.34284 2.26630 18.04284 H - 32.09229 0.99782 18.04284 H - 28.01304 31.57570 18.04284 H - 10.29498 15.80822 18.04284 H - 11.79902 21.17108 18.04284 H - 28.34366 4.89536 18.04284 H - 6.38953 18.65674 18.04284 H - 27.76763 17.38826 18.04284 H - 31.84688 15.18529 18.04284 H - 9.65834 32.19860 18.04284 H - 8.15426 4.78064 18.04284 H - 31.51625 21.28574 18.04284 H - 13.56375 2.26630 18.04284 H - 7.81431 0.99782 18.04284 H - 11.89356 31.57570 18.04284 H - 29.61162 15.80822 18.04284 H - 28.10758 21.17108 18.04284 H - 11.56293 4.89536 18.04284 H - 33.51707 18.65674 18.04284 H - 13.24725 19.69536 18.04284 N - 26.38163 0.03308 18.04284 N - 33.20053 3.30492 18.04284 N - 6.42831 16.42349 18.04284 N - 26.65938 19.69536 18.04284 N - 13.52501 0.03308 18.04284 N - 6.70606 3.30492 18.04284 N - 33.47828 16.42349 18.04284 N - 2.29710 9.72178 18.04284 N - 22.25038 26.11216 18.04284 N - 37.60949 9.72178 18.04284 N - 17.65621 26.11216 18.04284 N - 19.95332 23.88194 18.04284 N - 19.95332 28.34017 18.04284 N - 0.00000 7.49150 18.04284 N - 0.00000 11.94976 18.04284 N - 9.37374 21.02436 18.04284 O - 27.12582 2.89646 18.04284 O - 29.32702 4.63392 18.04284 O - 7.17255 19.28684 18.04284 O - 30.53285 21.02436 18.04284 O - 12.78077 2.89646 18.04284 O - 10.57957 4.63392 18.04284 O - 32.73405 19.28684 18.04284 O - 3.54172 6.11189 18.04284 C - 5.61631 4.22713 18.04284 C - 4.68595 4.24437 16.99895 C - 3.65084 5.18616 16.99584 C - 5.49987 5.14031 19.09552 C - 4.46628 6.08370 19.09617 C - 4.78142 3.53615 16.18800 H - 2.94327 5.20692 16.17688 H - 6.22225 5.12212 19.89938 H - 4.39039 6.79980 19.90441 H - 5.47518 15.36092 18.04284 C - 3.53548 13.33771 18.04284 C - 4.55322 15.27540 19.09014 C - 3.58623 14.26347 19.09444 C - 5.42674 14.43789 16.99410 C - 4.46164 13.42421 16.99392 C - 4.58760 16.00282 19.88878 H - 2.87018 14.20556 19.90417 H - 6.13315 14.52107 16.18031 H - 4.42385 12.71599 16.17616 H - 16.41160 22.50230 18.04284 C - 14.33701 20.61754 18.04284 C - 15.48704 22.47411 16.98952 C - 14.45341 21.53068 16.99016 C - 16.30244 21.57660 19.08985 C - 15.26737 20.63478 19.08673 C - 15.56289 23.19025 16.18128 H - 13.73103 21.51256 16.18631 H - 17.01005 21.59736 19.90882 H - 15.17190 19.92656 19.89769 H - 14.47810 31.75136 18.04284 C - 16.41780 29.72816 18.04284 C - 15.49168 29.81465 19.09177 C - 14.52654 30.82834 19.09160 C - 16.36709 30.65392 16.99125 C - 15.40010 31.66585 16.99556 C - 15.52943 29.10643 19.90953 H - 13.82017 30.91151 19.90538 H - 17.08310 30.59597 16.18152 H - 15.36567 32.39326 16.19692 H - 23.49500 22.50230 18.04284 C - 25.56959 20.61754 18.04284 C - 24.63923 20.63478 16.99897 C - 23.60416 21.57660 16.99584 C - 25.45319 21.53068 19.09554 C - 24.41956 22.47414 19.09617 C - 24.73469 19.92659 16.18800 H - 22.89655 21.59736 16.17687 H - 26.17557 21.51256 19.89938 H - 24.34371 23.19025 19.90441 H - 25.42849 31.75136 18.04284 C - 23.48880 29.72816 18.04284 C - 23.53951 30.65392 19.09443 C - 24.50650 31.66585 19.09014 C - 24.41491 29.81465 16.99392 C - 25.38006 30.82834 16.99410 C - 22.82350 30.59597 19.90417 H - 24.54092 32.39326 19.88877 H - 24.37717 29.10643 16.17616 H - 26.08647 30.91151 16.18031 H - 36.36487 6.11189 18.04284 C - 34.29032 4.22713 18.04284 C - 35.44036 6.08370 16.98952 C - 34.40672 5.14031 16.99017 C - 36.25576 5.18616 19.08985 C - 35.22064 4.24437 19.08674 C - 35.51621 6.79980 16.18128 H - 33.68435 5.12212 16.18631 H - 36.96337 5.20692 19.90881 H - 35.12522 3.53615 19.89769 H - 34.43142 15.36092 18.04284 C - 36.37112 13.33771 18.04284 C - 34.47985 14.43789 19.09159 C - 35.44496 13.42421 19.09177 C - 35.35338 15.27540 16.99555 C - 36.32036 14.26347 16.99125 C - 33.77345 14.52107 19.90538 H - 35.48275 12.71599 19.90953 H - 35.31899 16.00282 16.19691 H - 37.03642 14.20556 16.18152 H - 9.56544 19.62731 22.04284 C - 30.01526 0.47774 22.04284 C - 29.51879 3.23690 22.04284 C - 10.06198 16.86815 22.04284 C - 30.34116 19.62731 22.04284 C - 9.89134 0.47774 22.04284 C - 10.38784 3.23690 22.04284 C - 29.84462 16.86815 22.04284 C - 11.12227 17.76820 22.04284 C - 28.41687 2.32799 22.04284 C - 31.07555 1.37779 22.04284 C - 8.46360 18.71844 22.04284 C - 28.78437 17.76820 22.04284 C - 11.48972 2.32799 22.04284 C - 8.83105 1.37779 22.04284 C - 31.44304 18.71844 22.04284 C - 7.70515 16.21247 22.04284 C - 31.96760 3.71481 22.04284 C - 27.65847 0.01261 22.04284 C - 12.01432 20.10525 22.04284 C - 32.20144 16.21247 22.04284 C - 7.93899 3.71481 22.04284 C - 12.24813 0.01261 22.04284 C - 27.89227 20.10525 22.04284 C - 10.88591 19.14664 22.04284 C - 28.67701 0.91507 22.04284 C - 30.83922 2.75623 22.04284 C - 8.72370 17.30552 22.04284 C - 29.02069 19.14664 22.04284 C - 11.22962 0.91507 22.04284 C - 9.06737 2.75623 22.04284 C - 31.18294 17.30552 22.04284 C - 3.02789 8.59954 22.04284 C - 36.87847 10.84423 22.04284 C - 22.98117 24.98995 22.04284 C - 16.92515 27.23464 22.04284 C - 36.87875 8.59954 22.04284 C - 3.02821 10.84423 22.04284 C - 16.92547 24.98995 22.04284 C - 22.98149 27.23464 22.04284 C - 4.35352 9.01969 22.04284 C - 35.55303 10.42486 22.04284 C - 24.30684 25.41014 22.04284 C - 15.59972 26.81527 22.04284 C - 35.55307 9.01969 22.04284 C - 4.35356 10.42486 22.04284 C - 15.59976 25.41014 22.04284 C - 24.30688 26.81527 22.04284 C - 21.13041 23.09649 22.04284 C - 18.77655 29.12589 22.04284 C - 1.17709 6.70607 22.04284 C - 38.72982 12.73548 22.04284 C - 18.77623 23.09649 22.04284 C - 21.13009 29.12589 22.04284 C - 38.72950 6.70607 22.04284 C - 1.17677 12.73548 22.04284 C - 20.62854 21.70882 22.04284 C - 19.27833 30.51368 22.04284 C - 0.67527 5.31838 22.04284 C - 39.23161 14.12327 22.04284 C - 19.27805 21.70882 22.04284 C - 20.62826 30.51368 22.04284 C - 39.23133 5.31838 22.04284 C - 0.67499 14.12327 22.04284 C - 2.49572 7.14943 22.04284 C - 37.41075 12.29352 22.04284 C - 22.44904 23.53984 22.04284 C - 17.45748 28.68396 22.04284 C - 37.41088 7.14943 22.04284 C - 2.49584 12.29352 22.04284 C - 17.45760 23.53984 22.04284 C - 22.44916 28.68396 22.04284 C - 1.33808 9.72120 22.04284 H - 21.29136 26.11164 22.04284 H - 38.56851 9.72120 22.04284 H - 18.61524 26.11164 22.04284 H - 5.22772 8.38311 22.04284 H - 34.67935 11.06209 22.04284 H - 25.18104 24.77352 22.04284 H - 14.72603 27.45251 22.04284 H - 34.67887 8.38311 22.04284 H - 5.22724 11.06209 22.04284 H - 14.72559 24.77352 22.04284 H - 25.18056 27.45251 22.04284 H - 21.24137 20.81738 22.04284 H - 18.66587 31.40561 22.04284 H - 1.28809 4.42694 22.04284 H - 38.61919 15.01517 22.04284 H - 18.66523 20.81738 22.04284 H - 21.24073 31.40561 22.04284 H - 38.61855 4.42694 22.04284 H - 1.28745 15.01517 22.04284 H - 12.13901 17.38826 22.04284 H - 8.05976 15.18529 22.04284 H - 30.24830 32.19860 22.04284 H - 31.75233 4.78064 22.04284 H - 8.39035 21.28574 22.04284 H - 26.34284 2.26630 22.04284 H - 32.09229 0.99782 22.04284 H - 28.01304 31.57570 22.04284 H - 10.29498 15.80822 22.04284 H - 11.79902 21.17108 22.04284 H - 28.34366 4.89536 22.04284 H - 6.38953 18.65674 22.04284 H - 27.76763 17.38826 22.04284 H - 31.84688 15.18529 22.04284 H - 9.65834 32.19860 22.04284 H - 8.15426 4.78064 22.04284 H - 31.51625 21.28574 22.04284 H - 13.56375 2.26630 22.04284 H - 7.81431 0.99782 22.04284 H - 11.89356 31.57570 22.04284 H - 29.61162 15.80822 22.04284 H - 28.10758 21.17108 22.04284 H - 11.56293 4.89536 22.04284 H - 33.51707 18.65674 22.04284 H - 13.24725 19.69536 22.04284 N - 26.38163 0.03308 22.04284 N - 33.20053 3.30492 22.04284 N - 6.42831 16.42349 22.04284 N - 26.65938 19.69536 22.04284 N - 13.52501 0.03308 22.04284 N - 6.70606 3.30492 22.04284 N - 33.47828 16.42349 22.04284 N - 2.29710 9.72178 22.04284 N - 22.25038 26.11216 22.04284 N - 37.60949 9.72178 22.04284 N - 17.65621 26.11216 22.04284 N - 19.95332 23.88194 22.04284 N - 19.95332 28.34017 22.04284 N - 0.00000 7.49150 22.04284 N - 0.00000 11.94976 22.04284 N - 9.37374 21.02436 22.04284 O - 27.12582 2.89646 22.04284 O - 29.32702 4.63392 22.04284 O - 7.17255 19.28684 22.04284 O - 30.53285 21.02436 22.04284 O - 12.78077 2.89646 22.04284 O - 10.57957 4.63392 22.04284 O - 32.73405 19.28684 22.04284 O - 3.54172 6.11189 22.04284 C - 5.61631 4.22713 22.04284 C - 4.68595 4.24437 20.99895 C - 3.65084 5.18616 20.99584 C - 5.49987 5.14031 23.09552 C - 4.46628 6.08370 23.09617 C - 4.78142 3.53615 20.18800 H - 2.94327 5.20692 20.17688 H - 6.22225 5.12212 23.89938 H - 4.39039 6.79980 23.90441 H - 5.47518 15.36092 22.04284 C - 3.53548 13.33771 22.04284 C - 4.55322 15.27540 23.09014 C - 3.58623 14.26347 23.09444 C - 5.42674 14.43789 20.99410 C - 4.46164 13.42421 20.99392 C - 4.58760 16.00282 23.88878 H - 2.87018 14.20556 23.90417 H - 6.13315 14.52107 20.18031 H - 4.42385 12.71599 20.17616 H - 16.41160 22.50230 22.04284 C - 14.33701 20.61754 22.04284 C - 15.48704 22.47411 20.98952 C - 14.45341 21.53068 20.99016 C - 16.30244 21.57660 23.08985 C - 15.26737 20.63478 23.08673 C - 15.56289 23.19025 20.18128 H - 13.73103 21.51256 20.18631 H - 17.01005 21.59736 23.90882 H - 15.17190 19.92656 23.89769 H - 14.47810 31.75136 22.04284 C - 16.41780 29.72816 22.04284 C - 15.49168 29.81465 23.09177 C - 14.52654 30.82834 23.09160 C - 16.36709 30.65392 20.99125 C - 15.40010 31.66585 20.99556 C - 15.52943 29.10643 23.90953 H - 13.82017 30.91151 23.90538 H - 17.08310 30.59597 20.18152 H - 15.36567 32.39326 20.19692 H - 23.49500 22.50230 22.04284 C - 25.56959 20.61754 22.04284 C - 24.63923 20.63478 20.99897 C - 23.60416 21.57660 20.99584 C - 25.45319 21.53068 23.09554 C - 24.41956 22.47414 23.09617 C - 24.73469 19.92659 20.18800 H - 22.89655 21.59736 20.17687 H - 26.17557 21.51256 23.89938 H - 24.34371 23.19025 23.90441 H - 25.42849 31.75136 22.04284 C - 23.48880 29.72816 22.04284 C - 23.53951 30.65392 23.09443 C - 24.50650 31.66585 23.09014 C - 24.41491 29.81465 20.99392 C - 25.38006 30.82834 20.99410 C - 22.82350 30.59597 23.90417 H - 24.54092 32.39326 23.88877 H - 24.37717 29.10643 20.17616 H - 26.08647 30.91151 20.18031 H - 36.36487 6.11189 22.04284 C - 34.29032 4.22713 22.04284 C - 35.44036 6.08370 20.98952 C - 34.40672 5.14031 20.99017 C - 36.25576 5.18616 23.08985 C - 35.22064 4.24437 23.08674 C - 35.51621 6.79980 20.18128 H - 33.68435 5.12212 20.18631 H - 36.96337 5.20692 23.90881 H - 35.12522 3.53615 23.89769 H - 34.43142 15.36092 22.04284 C - 36.37112 13.33771 22.04284 C - 34.47985 14.43789 23.09159 C - 35.44496 13.42421 23.09177 C - 35.35338 15.27540 20.99555 C - 36.32036 14.26347 20.99125 C - 33.77345 14.52107 23.90538 H - 35.48275 12.71599 23.90953 H - 35.31899 16.00282 20.19691 H - 37.03642 14.20556 20.18152 H - 9.56544 19.62731 26.04284 C - 30.01526 0.47774 26.04284 C - 29.51879 3.23690 26.04284 C - 10.06198 16.86815 26.04284 C - 30.34116 19.62731 26.04284 C - 9.89134 0.47774 26.04284 C - 10.38784 3.23690 26.04284 C - 29.84462 16.86815 26.04284 C - 11.12227 17.76820 26.04284 C - 28.41687 2.32799 26.04284 C - 31.07555 1.37779 26.04284 C - 8.46360 18.71844 26.04284 C - 28.78437 17.76820 26.04284 C - 11.48972 2.32799 26.04284 C - 8.83105 1.37779 26.04284 C - 31.44304 18.71844 26.04284 C - 7.70515 16.21247 26.04284 C - 31.96760 3.71481 26.04284 C - 27.65847 0.01261 26.04284 C - 12.01432 20.10525 26.04284 C - 32.20144 16.21247 26.04284 C - 7.93899 3.71481 26.04284 C - 12.24813 0.01261 26.04284 C - 27.89227 20.10525 26.04284 C - 10.88591 19.14664 26.04284 C - 28.67701 0.91507 26.04284 C - 30.83922 2.75623 26.04284 C - 8.72370 17.30552 26.04284 C - 29.02069 19.14664 26.04284 C - 11.22962 0.91507 26.04284 C - 9.06737 2.75623 26.04284 C - 31.18294 17.30552 26.04284 C - 3.02789 8.59954 26.04284 C - 36.87847 10.84423 26.04284 C - 22.98117 24.98995 26.04284 C - 16.92515 27.23464 26.04284 C - 36.87875 8.59954 26.04284 C - 3.02821 10.84423 26.04284 C - 16.92547 24.98995 26.04284 C - 22.98149 27.23464 26.04284 C - 4.35352 9.01969 26.04284 C - 35.55303 10.42486 26.04284 C - 24.30684 25.41014 26.04284 C - 15.59972 26.81527 26.04284 C - 35.55307 9.01969 26.04284 C - 4.35356 10.42486 26.04284 C - 15.59976 25.41014 26.04284 C - 24.30688 26.81527 26.04284 C - 21.13041 23.09649 26.04284 C - 18.77655 29.12589 26.04284 C - 1.17709 6.70607 26.04284 C - 38.72982 12.73548 26.04284 C - 18.77623 23.09649 26.04284 C - 21.13009 29.12589 26.04284 C - 38.72950 6.70607 26.04284 C - 1.17677 12.73548 26.04284 C - 20.62854 21.70882 26.04284 C - 19.27833 30.51368 26.04284 C - 0.67527 5.31838 26.04284 C - 39.23161 14.12327 26.04284 C - 19.27805 21.70882 26.04284 C - 20.62826 30.51368 26.04284 C - 39.23133 5.31838 26.04284 C - 0.67499 14.12327 26.04284 C - 2.49572 7.14943 26.04284 C - 37.41075 12.29352 26.04284 C - 22.44904 23.53984 26.04284 C - 17.45748 28.68396 26.04284 C - 37.41088 7.14943 26.04284 C - 2.49584 12.29352 26.04284 C - 17.45760 23.53984 26.04284 C - 22.44916 28.68396 26.04284 C - 1.33808 9.72120 26.04284 H - 21.29136 26.11164 26.04284 H - 38.56851 9.72120 26.04284 H - 18.61524 26.11164 26.04284 H - 5.22772 8.38311 26.04284 H - 34.67935 11.06209 26.04284 H - 25.18104 24.77352 26.04284 H - 14.72603 27.45251 26.04284 H - 34.67887 8.38311 26.04284 H - 5.22724 11.06209 26.04284 H - 14.72559 24.77352 26.04284 H - 25.18056 27.45251 26.04284 H - 21.24137 20.81738 26.04284 H - 18.66587 31.40561 26.04284 H - 1.28809 4.42694 26.04284 H - 38.61919 15.01517 26.04284 H - 18.66523 20.81738 26.04284 H - 21.24073 31.40561 26.04284 H - 38.61855 4.42694 26.04284 H - 1.28745 15.01517 26.04284 H - 12.13901 17.38826 26.04284 H - 8.05976 15.18529 26.04284 H - 30.24830 32.19860 26.04284 H - 31.75233 4.78064 26.04284 H - 8.39035 21.28574 26.04284 H - 26.34284 2.26630 26.04284 H - 32.09229 0.99782 26.04284 H - 28.01304 31.57570 26.04284 H - 10.29498 15.80822 26.04284 H - 11.79902 21.17108 26.04284 H - 28.34366 4.89536 26.04284 H - 6.38953 18.65674 26.04284 H - 27.76763 17.38826 26.04284 H - 31.84688 15.18529 26.04284 H - 9.65834 32.19860 26.04284 H - 8.15426 4.78064 26.04284 H - 31.51625 21.28574 26.04284 H - 13.56375 2.26630 26.04284 H - 7.81431 0.99782 26.04284 H - 11.89356 31.57570 26.04284 H - 29.61162 15.80822 26.04284 H - 28.10758 21.17108 26.04284 H - 11.56293 4.89536 26.04284 H - 33.51707 18.65674 26.04284 H - 13.24725 19.69536 26.04284 N - 26.38163 0.03308 26.04284 N - 33.20053 3.30492 26.04284 N - 6.42831 16.42349 26.04284 N - 26.65938 19.69536 26.04284 N - 13.52501 0.03308 26.04284 N - 6.70606 3.30492 26.04284 N - 33.47828 16.42349 26.04284 N - 2.29710 9.72178 26.04284 N - 22.25038 26.11216 26.04284 N - 37.60949 9.72178 26.04284 N - 17.65621 26.11216 26.04284 N - 19.95332 23.88194 26.04284 N - 19.95332 28.34017 26.04284 N - 0.00000 7.49150 26.04284 N - 0.00000 11.94976 26.04284 N - 9.37374 21.02436 26.04284 O - 27.12582 2.89646 26.04284 O - 29.32702 4.63392 26.04284 O - 7.17255 19.28684 26.04284 O - 30.53285 21.02436 26.04284 O - 12.78077 2.89646 26.04284 O - 10.57957 4.63392 26.04284 O - 32.73405 19.28684 26.04284 O - 3.54172 6.11189 26.04284 C - 5.61631 4.22713 26.04284 C - 4.68595 4.24437 24.99895 C - 3.65084 5.18616 24.99584 C - 5.49987 5.14031 27.09552 C - 4.46628 6.08370 27.09617 C - 4.78142 3.53615 24.18800 H - 2.94327 5.20692 24.17688 H - 6.22225 5.12212 27.89938 H - 4.39039 6.79980 27.90441 H - 5.47518 15.36092 26.04284 C - 3.53548 13.33771 26.04284 C - 4.55322 15.27540 27.09014 C - 3.58623 14.26347 27.09444 C - 5.42674 14.43789 24.99410 C - 4.46164 13.42421 24.99392 C - 4.58760 16.00282 27.88878 H - 2.87018 14.20556 27.90417 H - 6.13315 14.52107 24.18031 H - 4.42385 12.71599 24.17616 H - 16.41160 22.50230 26.04284 C - 14.33701 20.61754 26.04284 C - 15.48704 22.47411 24.98952 C - 14.45341 21.53068 24.99016 C - 16.30244 21.57660 27.08985 C - 15.26737 20.63478 27.08673 C - 15.56289 23.19025 24.18128 H - 13.73103 21.51256 24.18631 H - 17.01005 21.59736 27.90882 H - 15.17190 19.92656 27.89769 H - 14.47810 31.75136 26.04284 C - 16.41780 29.72816 26.04284 C - 15.49168 29.81465 27.09177 C - 14.52654 30.82834 27.09160 C - 16.36709 30.65392 24.99125 C - 15.40010 31.66585 24.99556 C - 15.52943 29.10643 27.90953 H - 13.82017 30.91151 27.90538 H - 17.08310 30.59597 24.18152 H - 15.36567 32.39326 24.19692 H - 23.49500 22.50230 26.04284 C - 25.56959 20.61754 26.04284 C - 24.63923 20.63478 24.99897 C - 23.60416 21.57660 24.99584 C - 25.45319 21.53068 27.09554 C - 24.41956 22.47414 27.09617 C - 24.73469 19.92659 24.18800 H - 22.89655 21.59736 24.17687 H - 26.17557 21.51256 27.89938 H - 24.34371 23.19025 27.90441 H - 25.42849 31.75136 26.04284 C - 23.48880 29.72816 26.04284 C - 23.53951 30.65392 27.09443 C - 24.50650 31.66585 27.09014 C - 24.41491 29.81465 24.99392 C - 25.38006 30.82834 24.99410 C - 22.82350 30.59597 27.90417 H - 24.54092 32.39326 27.88877 H - 24.37717 29.10643 24.17616 H - 26.08647 30.91151 24.18031 H - 36.36487 6.11189 26.04284 C - 34.29032 4.22713 26.04284 C - 35.44036 6.08370 24.98952 C - 34.40672 5.14031 24.99017 C - 36.25576 5.18616 27.08985 C - 35.22064 4.24437 27.08674 C - 35.51621 6.79980 24.18128 H - 33.68435 5.12212 24.18631 H - 36.96337 5.20692 27.90881 H - 35.12522 3.53615 27.89769 H - 34.43142 15.36092 26.04284 C - 36.37112 13.33771 26.04284 C - 34.47985 14.43789 27.09159 C - 35.44496 13.42421 27.09177 C - 35.35338 15.27540 24.99555 C - 36.32036 14.26347 24.99125 C - 33.77345 14.52107 27.90538 H - 35.48275 12.71599 27.90953 H - 35.31899 16.00282 24.19691 H - 37.03642 14.20556 24.18152 H - 9.56544 19.62731 30.04284 C - 30.01526 0.47774 30.04284 C - 29.51879 3.23690 30.04284 C - 10.06198 16.86815 30.04284 C - 30.34116 19.62731 30.04284 C - 9.89134 0.47774 30.04284 C - 10.38784 3.23690 30.04284 C - 29.84462 16.86815 30.04284 C - 11.12227 17.76820 30.04284 C - 28.41687 2.32799 30.04284 C - 31.07555 1.37779 30.04284 C - 8.46360 18.71844 30.04284 C - 28.78437 17.76820 30.04284 C - 11.48972 2.32799 30.04284 C - 8.83105 1.37779 30.04284 C - 31.44304 18.71844 30.04284 C - 7.70515 16.21247 30.04284 C - 31.96760 3.71481 30.04284 C - 27.65847 0.01261 30.04284 C - 12.01432 20.10525 30.04284 C - 32.20144 16.21247 30.04284 C - 7.93899 3.71481 30.04284 C - 12.24813 0.01261 30.04284 C - 27.89227 20.10525 30.04284 C - 10.88591 19.14664 30.04284 C - 28.67701 0.91507 30.04284 C - 30.83922 2.75623 30.04284 C - 8.72370 17.30552 30.04284 C - 29.02069 19.14664 30.04284 C - 11.22962 0.91507 30.04284 C - 9.06737 2.75623 30.04284 C - 31.18294 17.30552 30.04284 C - 3.02789 8.59954 30.04284 C - 36.87847 10.84423 30.04284 C - 22.98117 24.98995 30.04284 C - 16.92515 27.23464 30.04284 C - 36.87875 8.59954 30.04284 C - 3.02821 10.84423 30.04284 C - 16.92547 24.98995 30.04284 C - 22.98149 27.23464 30.04284 C - 4.35352 9.01969 30.04284 C - 35.55303 10.42486 30.04284 C - 24.30684 25.41014 30.04284 C - 15.59972 26.81527 30.04284 C - 35.55307 9.01969 30.04284 C - 4.35356 10.42486 30.04284 C - 15.59976 25.41014 30.04284 C - 24.30688 26.81527 30.04284 C - 21.13041 23.09649 30.04284 C - 18.77655 29.12589 30.04284 C - 1.17709 6.70607 30.04284 C - 38.72982 12.73548 30.04284 C - 18.77623 23.09649 30.04284 C - 21.13009 29.12589 30.04284 C - 38.72950 6.70607 30.04284 C - 1.17677 12.73548 30.04284 C - 20.62854 21.70882 30.04284 C - 19.27833 30.51368 30.04284 C - 0.67527 5.31838 30.04284 C - 39.23161 14.12327 30.04284 C - 19.27805 21.70882 30.04284 C - 20.62826 30.51368 30.04284 C - 39.23133 5.31838 30.04284 C - 0.67499 14.12327 30.04284 C - 2.49572 7.14943 30.04284 C - 37.41075 12.29352 30.04284 C - 22.44904 23.53984 30.04284 C - 17.45748 28.68396 30.04284 C - 37.41088 7.14943 30.04284 C - 2.49584 12.29352 30.04284 C - 17.45760 23.53984 30.04284 C - 22.44916 28.68396 30.04284 C - 1.33808 9.72120 30.04284 H - 21.29136 26.11164 30.04284 H - 38.56851 9.72120 30.04284 H - 18.61524 26.11164 30.04284 H - 5.22772 8.38311 30.04284 H - 34.67935 11.06209 30.04284 H - 25.18104 24.77352 30.04284 H - 14.72603 27.45251 30.04284 H - 34.67887 8.38311 30.04284 H - 5.22724 11.06209 30.04284 H - 14.72559 24.77352 30.04284 H - 25.18056 27.45251 30.04284 H - 21.24137 20.81738 30.04284 H - 18.66587 31.40561 30.04284 H - 1.28809 4.42694 30.04284 H - 38.61919 15.01517 30.04284 H - 18.66523 20.81738 30.04284 H - 21.24073 31.40561 30.04284 H - 38.61855 4.42694 30.04284 H - 1.28745 15.01517 30.04284 H - 12.13901 17.38826 30.04284 H - 8.05976 15.18529 30.04284 H - 30.24830 32.19860 30.04284 H - 31.75233 4.78064 30.04284 H - 8.39035 21.28574 30.04284 H - 26.34284 2.26630 30.04284 H - 32.09229 0.99782 30.04284 H - 28.01304 31.57570 30.04284 H - 10.29498 15.80822 30.04284 H - 11.79902 21.17108 30.04284 H - 28.34366 4.89536 30.04284 H - 6.38953 18.65674 30.04284 H - 27.76763 17.38826 30.04284 H - 31.84688 15.18529 30.04284 H - 9.65834 32.19860 30.04284 H - 8.15426 4.78064 30.04284 H - 31.51625 21.28574 30.04284 H - 13.56375 2.26630 30.04284 H - 7.81431 0.99782 30.04284 H - 11.89356 31.57570 30.04284 H - 29.61162 15.80822 30.04284 H - 28.10758 21.17108 30.04284 H - 11.56293 4.89536 30.04284 H - 33.51707 18.65674 30.04284 H - 13.24725 19.69536 30.04284 N - 26.38163 0.03308 30.04284 N - 33.20053 3.30492 30.04284 N - 6.42831 16.42349 30.04284 N - 26.65938 19.69536 30.04284 N - 13.52501 0.03308 30.04284 N - 6.70606 3.30492 30.04284 N - 33.47828 16.42349 30.04284 N - 2.29710 9.72178 30.04284 N - 22.25038 26.11216 30.04284 N - 37.60949 9.72178 30.04284 N - 17.65621 26.11216 30.04284 N - 19.95332 23.88194 30.04284 N - 19.95332 28.34017 30.04284 N - 0.00000 7.49150 30.04284 N - 0.00000 11.94976 30.04284 N - 9.37374 21.02436 30.04284 O - 27.12582 2.89646 30.04284 O - 29.32702 4.63392 30.04284 O - 7.17255 19.28684 30.04284 O - 30.53285 21.02436 30.04284 O - 12.78077 2.89646 30.04284 O - 10.57957 4.63392 30.04284 O - 32.73405 19.28684 30.04284 O - 3.54172 6.11189 30.04284 C - 5.61631 4.22713 30.04284 C - 4.68595 4.24437 28.99895 C - 3.65084 5.18616 28.99584 C - 5.49987 5.14031 31.09552 C - 4.46628 6.08370 31.09617 C - 4.78142 3.53615 28.18800 H - 2.94327 5.20692 28.17688 H - 6.22225 5.12212 31.89938 H - 4.39039 6.79980 31.90441 H - 5.47518 15.36092 30.04284 C - 3.53548 13.33771 30.04284 C - 4.55322 15.27540 31.09014 C - 3.58623 14.26347 31.09444 C - 5.42674 14.43789 28.99410 C - 4.46164 13.42421 28.99392 C - 4.58760 16.00282 31.88878 H - 2.87018 14.20556 31.90417 H - 6.13315 14.52107 28.18031 H - 4.42385 12.71599 28.17616 H - 16.41160 22.50230 30.04284 C - 14.33701 20.61754 30.04284 C - 15.48704 22.47411 28.98952 C - 14.45341 21.53068 28.99016 C - 16.30244 21.57660 31.08985 C - 15.26737 20.63478 31.08673 C - 15.56289 23.19025 28.18128 H - 13.73103 21.51256 28.18631 H - 17.01005 21.59736 31.90882 H - 15.17190 19.92656 31.89769 H - 14.47810 31.75136 30.04284 C - 16.41780 29.72816 30.04284 C - 15.49168 29.81465 31.09177 C - 14.52654 30.82834 31.09160 C - 16.36709 30.65392 28.99125 C - 15.40010 31.66585 28.99556 C - 15.52943 29.10643 31.90953 H - 13.82017 30.91151 31.90538 H - 17.08310 30.59597 28.18152 H - 15.36567 32.39326 28.19692 H - 23.49500 22.50230 30.04284 C - 25.56959 20.61754 30.04284 C - 24.63923 20.63478 28.99897 C - 23.60416 21.57660 28.99584 C - 25.45319 21.53068 31.09554 C - 24.41956 22.47414 31.09617 C - 24.73469 19.92659 28.18800 H - 22.89655 21.59736 28.17687 H - 26.17557 21.51256 31.89938 H - 24.34371 23.19025 31.90441 H - 25.42849 31.75136 30.04284 C - 23.48880 29.72816 30.04284 C - 23.53951 30.65392 31.09443 C - 24.50650 31.66585 31.09014 C - 24.41491 29.81465 28.99392 C - 25.38006 30.82834 28.99410 C - 22.82350 30.59597 31.90417 H - 24.54092 32.39326 31.88877 H - 24.37717 29.10643 28.17616 H - 26.08647 30.91151 28.18031 H - 36.36487 6.11189 30.04284 C - 34.29032 4.22713 30.04284 C - 35.44036 6.08370 28.98952 C - 34.40672 5.14031 28.99017 C - 36.25576 5.18616 31.08985 C - 35.22064 4.24437 31.08674 C - 35.51621 6.79980 28.18128 H - 33.68435 5.12212 28.18631 H - 36.96337 5.20692 31.90881 H - 35.12522 3.53615 31.89769 H - 34.43142 15.36092 30.04284 C - 36.37112 13.33771 30.04284 C - 34.47985 14.43789 31.09159 C - 35.44496 13.42421 31.09177 C - 35.35338 15.27540 28.99555 C - 36.32036 14.26347 28.99125 C - 33.77345 14.52107 31.90538 H - 35.48275 12.71599 31.90953 H - 35.31899 16.00282 28.19691 H - 37.03642 14.20556 28.18152 H diff --git a/examples/pcsaft/structure_parameters/LTA.dat b/examples/pcsaft/structure_parameters/LTA.dat deleted file mode 100755 index 2e5d586d1..000000000 --- a/examples/pcsaft/structure_parameters/LTA.dat +++ /dev/null @@ -1,4608 +0,0 @@ - 0.00000 2.52921 5.95950 O - 1.31467 1.31467 4.03339 O - 0.00000 3.53637 3.53637 O - 0.00000 2.17283 4.39096 Si - 9.38979 0.00000 5.95950 O -10.60433 1.31467 4.03339 O - 8.38263 0.00000 3.53637 O - 9.74617 0.00000 4.39096 Si - 0.00000 9.38979 5.95950 O -10.60433 10.60433 4.03339 O - 0.00000 8.38263 3.53637 O - 0.00000 9.74617 4.39096 Si - 2.52921 0.00000 5.95950 O - 1.31467 10.60433 4.03339 O - 3.53637 0.00000 3.53637 O - 2.17283 0.00000 4.39096 Si - 1.31467 10.60433 7.88561 O - 0.00000 8.38263 8.38263 O - 0.00000 9.74617 7.52804 Si - 1.31467 1.31467 7.88561 O - 3.53637 0.00000 8.38263 O - 2.17283 0.00000 7.52804 Si -10.60433 1.31467 7.88561 O - 0.00000 3.53637 8.38263 O - 0.00000 2.17283 7.52804 Si -10.60433 10.60433 7.88561 O - 8.38263 0.00000 8.38263 O - 9.74617 0.00000 7.52804 Si - 5.95950 0.00000 2.52921 O - 4.03339 1.31467 1.31467 O - 4.39096 0.00000 2.17283 Si - 0.00000 5.95950 2.52921 O -10.60433 4.03339 1.31467 O - 0.00000 4.39096 2.17283 Si - 7.88561 10.60433 1.31467 O - 7.52804 0.00000 2.17283 Si - 1.31467 7.88561 1.31467 O - 0.00000 7.52804 2.17283 Si - 5.95950 0.00000 9.38979 O - 4.03339 10.60433 10.60433 O - 4.39096 0.00000 9.74617 Si - 0.00000 5.95950 9.38979 O - 1.31467 4.03339 10.60433 O - 0.00000 4.39096 9.74617 Si - 7.88561 1.31467 10.60433 O - 7.52804 0.00000 9.74617 Si -10.60433 7.88561 10.60433 O - 0.00000 7.52804 9.74617 Si - 2.52921 5.95950 0.00000 O - 1.31467 4.03339 1.31467 O - 3.53637 3.53637 0.00000 O - 2.17283 4.39096 0.00000 Si - 1.31467 7.88561 10.60433 O - 3.53637 8.38263 0.00000 O - 2.17283 7.52804 0.00000 Si - 5.95950 2.52921 0.00000 O - 4.03339 1.31467 10.60433 O - 4.39096 2.17283 0.00000 Si - 9.38979 5.95950 0.00000 O -10.60433 4.03339 10.60433 O - 8.38263 3.53637 0.00000 O - 9.74617 4.39096 0.00000 Si - 5.95950 9.38979 0.00000 O - 7.88561 10.60433 10.60433 O - 8.38263 8.38263 0.00000 O - 7.52804 9.74617 0.00000 Si -10.60433 7.88561 1.31467 O - 9.74617 7.52804 0.00000 Si - 4.03339 10.60433 1.31467 O - 4.39096 9.74617 0.00000 Si - 7.88561 1.31467 1.31467 O - 7.52804 2.17283 0.00000 Si - 0.00000 2.52921 17.87850 O - 1.31467 1.31467 15.95239 O - 0.00000 3.53637 15.45537 O - 0.00000 2.17283 16.30996 Si - 9.38979 0.00000 17.87850 O -10.60433 1.31467 15.95239 O - 8.38263 0.00000 15.45537 O - 9.74617 0.00000 16.30996 Si - 0.00000 9.38979 17.87850 O -10.60433 10.60433 15.95239 O - 0.00000 8.38263 15.45537 O - 0.00000 9.74617 16.30996 Si - 2.52921 0.00000 17.87850 O - 1.31467 10.60433 15.95239 O - 3.53637 0.00000 15.45537 O - 2.17283 0.00000 16.30996 Si - 1.31467 10.60433 19.80461 O - 0.00000 8.38263 20.30163 O - 0.00000 9.74617 19.44704 Si - 1.31467 1.31467 19.80461 O - 3.53637 0.00000 20.30163 O - 2.17283 0.00000 19.44704 Si -10.60433 1.31467 19.80461 O - 0.00000 3.53637 20.30163 O - 0.00000 2.17283 19.44704 Si -10.60433 10.60433 19.80461 O - 8.38263 0.00000 20.30163 O - 9.74617 0.00000 19.44704 Si - 5.95950 0.00000 14.44821 O - 4.03339 1.31467 13.23367 O - 4.39096 0.00000 14.09183 Si - 0.00000 5.95950 14.44821 O -10.60433 4.03339 13.23367 O - 0.00000 4.39096 14.09183 Si - 7.88561 10.60433 13.23367 O - 7.52804 0.00000 14.09183 Si - 1.31467 7.88561 13.23367 O - 0.00000 7.52804 14.09183 Si - 5.95950 0.00000 21.30879 O - 4.03339 10.60433 22.52333 O - 4.39096 0.00000 21.66517 Si - 0.00000 5.95950 21.30879 O - 1.31467 4.03339 22.52333 O - 0.00000 4.39096 21.66517 Si - 7.88561 1.31467 22.52333 O - 7.52804 0.00000 21.66517 Si -10.60433 7.88561 22.52333 O - 0.00000 7.52804 21.66517 Si - 2.52921 5.95950 11.91900 O - 1.31467 4.03339 13.23367 O - 3.53637 3.53637 11.91900 O - 2.17283 4.39096 11.91900 Si - 1.31467 7.88561 22.52333 O - 3.53637 8.38263 11.91900 O - 2.17283 7.52804 11.91900 Si - 5.95950 2.52921 11.91900 O - 4.03339 1.31467 22.52333 O - 4.39096 2.17283 11.91900 Si - 9.38979 5.95950 11.91900 O -10.60433 4.03339 22.52333 O - 8.38263 3.53637 11.91900 O - 9.74617 4.39096 11.91900 Si - 5.95950 9.38979 11.91900 O - 7.88561 10.60433 22.52333 O - 8.38263 8.38263 11.91900 O - 7.52804 9.74617 11.91900 Si -10.60433 7.88561 13.23367 O - 9.74617 7.52804 11.91900 Si - 4.03339 10.60433 13.23367 O - 4.39096 9.74617 11.91900 Si - 7.88561 1.31467 13.23367 O - 7.52804 2.17283 11.91900 Si - 0.00000 2.52921 29.79750 O - 1.31467 1.31467 27.87139 O - 0.00000 3.53637 27.37437 O - 0.00000 2.17283 28.22896 Si - 9.38979 0.00000 29.79750 O -10.60433 1.31467 27.87139 O - 8.38263 0.00000 27.37437 O - 9.74617 0.00000 28.22896 Si - 0.00000 9.38979 29.79750 O -10.60433 10.60433 27.87139 O - 0.00000 8.38263 27.37437 O - 0.00000 9.74617 28.22896 Si - 2.52921 0.00000 29.79750 O - 1.31467 10.60433 27.87139 O - 3.53637 0.00000 27.37437 O - 2.17283 0.00000 28.22896 Si - 1.31467 10.60433 31.72361 O - 0.00000 8.38263 32.22063 O - 0.00000 9.74617 31.36604 Si - 1.31467 1.31467 31.72361 O - 3.53637 0.00000 32.22063 O - 2.17283 0.00000 31.36604 Si -10.60433 1.31467 31.72361 O - 0.00000 3.53637 32.22063 O - 0.00000 2.17283 31.36604 Si -10.60433 10.60433 31.72361 O - 8.38263 0.00000 32.22063 O - 9.74617 0.00000 31.36604 Si - 5.95950 0.00000 26.36721 O - 4.03339 1.31467 25.15267 O - 4.39096 0.00000 26.01083 Si - 0.00000 5.95950 26.36721 O -10.60433 4.03339 25.15267 O - 0.00000 4.39096 26.01083 Si - 7.88561 10.60433 25.15267 O - 7.52804 0.00000 26.01083 Si - 1.31467 7.88561 25.15267 O - 0.00000 7.52804 26.01083 Si - 5.95950 0.00000 33.22779 O - 4.03339 10.60433 34.44233 O - 4.39096 0.00000 33.58417 Si - 0.00000 5.95950 33.22779 O - 1.31467 4.03339 34.44233 O - 0.00000 4.39096 33.58417 Si - 7.88561 1.31467 34.44233 O - 7.52804 0.00000 33.58417 Si -10.60433 7.88561 34.44233 O - 0.00000 7.52804 33.58417 Si - 2.52921 5.95950 23.83800 O - 1.31467 4.03339 25.15267 O - 3.53637 3.53637 23.83800 O - 2.17283 4.39096 23.83800 Si - 1.31467 7.88561 34.44233 O - 3.53637 8.38263 23.83800 O - 2.17283 7.52804 23.83800 Si - 5.95950 2.52921 23.83800 O - 4.03339 1.31467 34.44233 O - 4.39096 2.17283 23.83800 Si - 9.38979 5.95950 23.83800 O -10.60433 4.03339 34.44233 O - 8.38263 3.53637 23.83800 O - 9.74617 4.39096 23.83800 Si - 5.95950 9.38979 23.83800 O - 7.88561 10.60433 34.44233 O - 8.38263 8.38263 23.83800 O - 7.52804 9.74617 23.83800 Si -10.60433 7.88561 25.15267 O - 9.74617 7.52804 23.83800 Si - 4.03339 10.60433 25.15267 O - 4.39096 9.74617 23.83800 Si - 7.88561 1.31467 25.15267 O - 7.52804 2.17283 23.83800 Si - 0.00000 2.52921 41.71650 O - 1.31467 1.31467 39.79039 O - 0.00000 3.53637 39.29337 O - 0.00000 2.17283 40.14796 Si - 9.38979 0.00000 41.71650 O -10.60433 1.31467 39.79039 O - 8.38263 0.00000 39.29337 O - 9.74617 0.00000 40.14796 Si - 0.00000 9.38979 41.71650 O -10.60433 10.60433 39.79039 O - 0.00000 8.38263 39.29337 O - 0.00000 9.74617 40.14796 Si - 2.52921 0.00000 41.71650 O - 1.31467 10.60433 39.79039 O - 3.53637 0.00000 39.29337 O - 2.17283 0.00000 40.14796 Si - 1.31467 10.60433 43.64261 O - 0.00000 8.38263 44.13963 O - 0.00000 9.74617 43.28504 Si - 1.31467 1.31467 43.64261 O - 3.53637 0.00000 44.13963 O - 2.17283 0.00000 43.28504 Si -10.60433 1.31467 43.64261 O - 0.00000 3.53637 44.13963 O - 0.00000 2.17283 43.28504 Si -10.60433 10.60433 43.64261 O - 8.38263 0.00000 44.13963 O - 9.74617 0.00000 43.28504 Si - 5.95950 0.00000 38.28621 O - 4.03339 1.31467 37.07167 O - 4.39096 0.00000 37.92983 Si - 0.00000 5.95950 38.28621 O -10.60433 4.03339 37.07167 O - 0.00000 4.39096 37.92983 Si - 7.88561 10.60433 37.07167 O - 7.52804 0.00000 37.92983 Si - 1.31467 7.88561 37.07167 O - 0.00000 7.52804 37.92983 Si - 5.95950 0.00000 45.14679 O - 4.03339 10.60433 46.36133 O - 4.39096 0.00000 45.50317 Si - 0.00000 5.95950 45.14679 O - 1.31467 4.03339 46.36133 O - 0.00000 4.39096 45.50317 Si - 7.88561 1.31467 46.36133 O - 7.52804 0.00000 45.50317 Si -10.60433 7.88561 46.36133 O - 0.00000 7.52804 45.50317 Si - 2.52921 5.95950 35.75700 O - 1.31467 4.03339 37.07167 O - 3.53637 3.53637 35.75700 O - 2.17283 4.39096 35.75700 Si - 1.31467 7.88561 46.36133 O - 3.53637 8.38263 35.75700 O - 2.17283 7.52804 35.75700 Si - 5.95950 2.52921 35.75700 O - 4.03339 1.31467 46.36133 O - 4.39096 2.17283 35.75700 Si - 9.38979 5.95950 35.75700 O -10.60433 4.03339 46.36133 O - 8.38263 3.53637 35.75700 O - 9.74617 4.39096 35.75700 Si - 5.95950 9.38979 35.75700 O - 7.88561 10.60433 46.36133 O - 8.38263 8.38263 35.75700 O - 7.52804 9.74617 35.75700 Si -10.60433 7.88561 37.07167 O - 9.74617 7.52804 35.75700 Si - 4.03339 10.60433 37.07167 O - 4.39096 9.74617 35.75700 Si - 7.88561 1.31467 37.07167 O - 7.52804 2.17283 35.75700 Si - 0.00000 14.44821 5.95950 O - 1.31467 13.23367 4.03339 O - 0.00000 15.45537 3.53637 O - 0.00000 14.09183 4.39096 Si - 9.38979 11.91900 5.95950 O -10.60433 13.23367 4.03339 O - 8.38263 11.91900 3.53637 O - 9.74617 11.91900 4.39096 Si - 0.00000 21.30879 5.95950 O -10.60433 22.52333 4.03339 O - 0.00000 20.30163 3.53637 O - 0.00000 21.66517 4.39096 Si - 2.52921 11.91900 5.95950 O - 1.31467 22.52333 4.03339 O - 3.53637 11.91900 3.53637 O - 2.17283 11.91900 4.39096 Si - 1.31467 22.52333 7.88561 O - 0.00000 20.30163 8.38263 O - 0.00000 21.66517 7.52804 Si - 1.31467 13.23367 7.88561 O - 3.53637 11.91900 8.38263 O - 2.17283 11.91900 7.52804 Si -10.60433 13.23367 7.88561 O - 0.00000 15.45537 8.38263 O - 0.00000 14.09183 7.52804 Si -10.60433 22.52333 7.88561 O - 8.38263 11.91900 8.38263 O - 9.74617 11.91900 7.52804 Si - 5.95950 11.91900 2.52921 O - 4.03339 13.23367 1.31467 O - 4.39096 11.91900 2.17283 Si - 0.00000 17.87850 2.52921 O -10.60433 15.95239 1.31467 O - 0.00000 16.30996 2.17283 Si - 7.88561 22.52333 1.31467 O - 7.52804 11.91900 2.17283 Si - 1.31467 19.80461 1.31467 O - 0.00000 19.44704 2.17283 Si - 5.95950 11.91900 9.38979 O - 4.03339 22.52333 10.60433 O - 4.39096 11.91900 9.74617 Si - 0.00000 17.87850 9.38979 O - 1.31467 15.95239 10.60433 O - 0.00000 16.30996 9.74617 Si - 7.88561 13.23367 10.60433 O - 7.52804 11.91900 9.74617 Si -10.60433 19.80461 10.60433 O - 0.00000 19.44704 9.74617 Si - 2.52921 17.87850 0.00000 O - 1.31467 15.95239 1.31467 O - 3.53637 15.45537 0.00000 O - 2.17283 16.30996 0.00000 Si - 1.31467 19.80461 10.60433 O - 3.53637 20.30163 0.00000 O - 2.17283 19.44704 0.00000 Si - 5.95950 14.44821 0.00000 O - 4.03339 13.23367 10.60433 O - 4.39096 14.09183 0.00000 Si - 9.38979 17.87850 0.00000 O -10.60433 15.95239 10.60433 O - 8.38263 15.45537 0.00000 O - 9.74617 16.30996 0.00000 Si - 5.95950 21.30879 0.00000 O - 7.88561 22.52333 10.60433 O - 8.38263 20.30163 0.00000 O - 7.52804 21.66517 0.00000 Si -10.60433 19.80461 1.31467 O - 9.74617 19.44704 0.00000 Si - 4.03339 22.52333 1.31467 O - 4.39096 21.66517 0.00000 Si - 7.88561 13.23367 1.31467 O - 7.52804 14.09183 0.00000 Si - 0.00000 14.44821 17.87850 O - 1.31467 13.23367 15.95239 O - 0.00000 15.45537 15.45537 O - 0.00000 14.09183 16.30996 Si - 9.38979 11.91900 17.87850 O -10.60433 13.23367 15.95239 O - 8.38263 11.91900 15.45537 O - 9.74617 11.91900 16.30996 Si - 0.00000 21.30879 17.87850 O -10.60433 22.52333 15.95239 O - 0.00000 20.30163 15.45537 O - 0.00000 21.66517 16.30996 Si - 2.52921 11.91900 17.87850 O - 1.31467 22.52333 15.95239 O - 3.53637 11.91900 15.45537 O - 2.17283 11.91900 16.30996 Si - 1.31467 22.52333 19.80461 O - 0.00000 20.30163 20.30163 O - 0.00000 21.66517 19.44704 Si - 1.31467 13.23367 19.80461 O - 3.53637 11.91900 20.30163 O - 2.17283 11.91900 19.44704 Si -10.60433 13.23367 19.80461 O - 0.00000 15.45537 20.30163 O - 0.00000 14.09183 19.44704 Si -10.60433 22.52333 19.80461 O - 8.38263 11.91900 20.30163 O - 9.74617 11.91900 19.44704 Si - 5.95950 11.91900 14.44821 O - 4.03339 13.23367 13.23367 O - 4.39096 11.91900 14.09183 Si - 0.00000 17.87850 14.44821 O -10.60433 15.95239 13.23367 O - 0.00000 16.30996 14.09183 Si - 7.88561 22.52333 13.23367 O - 7.52804 11.91900 14.09183 Si - 1.31467 19.80461 13.23367 O - 0.00000 19.44704 14.09183 Si - 5.95950 11.91900 21.30879 O - 4.03339 22.52333 22.52333 O - 4.39096 11.91900 21.66517 Si - 0.00000 17.87850 21.30879 O - 1.31467 15.95239 22.52333 O - 0.00000 16.30996 21.66517 Si - 7.88561 13.23367 22.52333 O - 7.52804 11.91900 21.66517 Si -10.60433 19.80461 22.52333 O - 0.00000 19.44704 21.66517 Si - 2.52921 17.87850 11.91900 O - 1.31467 15.95239 13.23367 O - 3.53637 15.45537 11.91900 O - 2.17283 16.30996 11.91900 Si - 1.31467 19.80461 22.52333 O - 3.53637 20.30163 11.91900 O - 2.17283 19.44704 11.91900 Si - 5.95950 14.44821 11.91900 O - 4.03339 13.23367 22.52333 O - 4.39096 14.09183 11.91900 Si - 9.38979 17.87850 11.91900 O -10.60433 15.95239 22.52333 O - 8.38263 15.45537 11.91900 O - 9.74617 16.30996 11.91900 Si - 5.95950 21.30879 11.91900 O - 7.88561 22.52333 22.52333 O - 8.38263 20.30163 11.91900 O - 7.52804 21.66517 11.91900 Si -10.60433 19.80461 13.23367 O - 9.74617 19.44704 11.91900 Si - 4.03339 22.52333 13.23367 O - 4.39096 21.66517 11.91900 Si - 7.88561 13.23367 13.23367 O - 7.52804 14.09183 11.91900 Si - 0.00000 14.44821 29.79750 O - 1.31467 13.23367 27.87139 O - 0.00000 15.45537 27.37437 O - 0.00000 14.09183 28.22896 Si - 9.38979 11.91900 29.79750 O -10.60433 13.23367 27.87139 O - 8.38263 11.91900 27.37437 O - 9.74617 11.91900 28.22896 Si - 0.00000 21.30879 29.79750 O -10.60433 22.52333 27.87139 O - 0.00000 20.30163 27.37437 O - 0.00000 21.66517 28.22896 Si - 2.52921 11.91900 29.79750 O - 1.31467 22.52333 27.87139 O - 3.53637 11.91900 27.37437 O - 2.17283 11.91900 28.22896 Si - 1.31467 22.52333 31.72361 O - 0.00000 20.30163 32.22063 O - 0.00000 21.66517 31.36604 Si - 1.31467 13.23367 31.72361 O - 3.53637 11.91900 32.22063 O - 2.17283 11.91900 31.36604 Si -10.60433 13.23367 31.72361 O - 0.00000 15.45537 32.22063 O - 0.00000 14.09183 31.36604 Si -10.60433 22.52333 31.72361 O - 8.38263 11.91900 32.22063 O - 9.74617 11.91900 31.36604 Si - 5.95950 11.91900 26.36721 O - 4.03339 13.23367 25.15267 O - 4.39096 11.91900 26.01083 Si - 0.00000 17.87850 26.36721 O -10.60433 15.95239 25.15267 O - 0.00000 16.30996 26.01083 Si - 7.88561 22.52333 25.15267 O - 7.52804 11.91900 26.01083 Si - 1.31467 19.80461 25.15267 O - 0.00000 19.44704 26.01083 Si - 5.95950 11.91900 33.22779 O - 4.03339 22.52333 34.44233 O - 4.39096 11.91900 33.58417 Si - 0.00000 17.87850 33.22779 O - 1.31467 15.95239 34.44233 O - 0.00000 16.30996 33.58417 Si - 7.88561 13.23367 34.44233 O - 7.52804 11.91900 33.58417 Si -10.60433 19.80461 34.44233 O - 0.00000 19.44704 33.58417 Si - 2.52921 17.87850 23.83800 O - 1.31467 15.95239 25.15267 O - 3.53637 15.45537 23.83800 O - 2.17283 16.30996 23.83800 Si - 1.31467 19.80461 34.44233 O - 3.53637 20.30163 23.83800 O - 2.17283 19.44704 23.83800 Si - 5.95950 14.44821 23.83800 O - 4.03339 13.23367 34.44233 O - 4.39096 14.09183 23.83800 Si - 9.38979 17.87850 23.83800 O -10.60433 15.95239 34.44233 O - 8.38263 15.45537 23.83800 O - 9.74617 16.30996 23.83800 Si - 5.95950 21.30879 23.83800 O - 7.88561 22.52333 34.44233 O - 8.38263 20.30163 23.83800 O - 7.52804 21.66517 23.83800 Si -10.60433 19.80461 25.15267 O - 9.74617 19.44704 23.83800 Si - 4.03339 22.52333 25.15267 O - 4.39096 21.66517 23.83800 Si - 7.88561 13.23367 25.15267 O - 7.52804 14.09183 23.83800 Si - 0.00000 14.44821 41.71650 O - 1.31467 13.23367 39.79039 O - 0.00000 15.45537 39.29337 O - 0.00000 14.09183 40.14796 Si - 9.38979 11.91900 41.71650 O -10.60433 13.23367 39.79039 O - 8.38263 11.91900 39.29337 O - 9.74617 11.91900 40.14796 Si - 0.00000 21.30879 41.71650 O -10.60433 22.52333 39.79039 O - 0.00000 20.30163 39.29337 O - 0.00000 21.66517 40.14796 Si - 2.52921 11.91900 41.71650 O - 1.31467 22.52333 39.79039 O - 3.53637 11.91900 39.29337 O - 2.17283 11.91900 40.14796 Si - 1.31467 22.52333 43.64261 O - 0.00000 20.30163 44.13963 O - 0.00000 21.66517 43.28504 Si - 1.31467 13.23367 43.64261 O - 3.53637 11.91900 44.13963 O - 2.17283 11.91900 43.28504 Si -10.60433 13.23367 43.64261 O - 0.00000 15.45537 44.13963 O - 0.00000 14.09183 43.28504 Si -10.60433 22.52333 43.64261 O - 8.38263 11.91900 44.13963 O - 9.74617 11.91900 43.28504 Si - 5.95950 11.91900 38.28621 O - 4.03339 13.23367 37.07167 O - 4.39096 11.91900 37.92983 Si - 0.00000 17.87850 38.28621 O -10.60433 15.95239 37.07167 O - 0.00000 16.30996 37.92983 Si - 7.88561 22.52333 37.07167 O - 7.52804 11.91900 37.92983 Si - 1.31467 19.80461 37.07167 O - 0.00000 19.44704 37.92983 Si - 5.95950 11.91900 45.14679 O - 4.03339 22.52333 46.36133 O - 4.39096 11.91900 45.50317 Si - 0.00000 17.87850 45.14679 O - 1.31467 15.95239 46.36133 O - 0.00000 16.30996 45.50317 Si - 7.88561 13.23367 46.36133 O - 7.52804 11.91900 45.50317 Si -10.60433 19.80461 46.36133 O - 0.00000 19.44704 45.50317 Si - 2.52921 17.87850 35.75700 O - 1.31467 15.95239 37.07167 O - 3.53637 15.45537 35.75700 O - 2.17283 16.30996 35.75700 Si - 1.31467 19.80461 46.36133 O - 3.53637 20.30163 35.75700 O - 2.17283 19.44704 35.75700 Si - 5.95950 14.44821 35.75700 O - 4.03339 13.23367 46.36133 O - 4.39096 14.09183 35.75700 Si - 9.38979 17.87850 35.75700 O -10.60433 15.95239 46.36133 O - 8.38263 15.45537 35.75700 O - 9.74617 16.30996 35.75700 Si - 5.95950 21.30879 35.75700 O - 7.88561 22.52333 46.36133 O - 8.38263 20.30163 35.75700 O - 7.52804 21.66517 35.75700 Si -10.60433 19.80461 37.07167 O - 9.74617 19.44704 35.75700 Si - 4.03339 22.52333 37.07167 O - 4.39096 21.66517 35.75700 Si - 7.88561 13.23367 37.07167 O - 7.52804 14.09183 35.75700 Si - 0.00000 26.36721 5.95950 O - 1.31467 25.15267 4.03339 O - 0.00000 27.37437 3.53637 O - 0.00000 26.01083 4.39096 Si - 9.38979 23.83800 5.95950 O -10.60433 25.15267 4.03339 O - 8.38263 23.83800 3.53637 O - 9.74617 23.83800 4.39096 Si - 0.00000 33.22779 5.95950 O -10.60433 34.44233 4.03339 O - 0.00000 32.22063 3.53637 O - 0.00000 33.58417 4.39096 Si - 2.52921 23.83800 5.95950 O - 1.31467 34.44233 4.03339 O - 3.53637 23.83800 3.53637 O - 2.17283 23.83800 4.39096 Si - 1.31467 34.44233 7.88561 O - 0.00000 32.22063 8.38263 O - 0.00000 33.58417 7.52804 Si - 1.31467 25.15267 7.88561 O - 3.53637 23.83800 8.38263 O - 2.17283 23.83800 7.52804 Si -10.60433 25.15267 7.88561 O - 0.00000 27.37437 8.38263 O - 0.00000 26.01083 7.52804 Si -10.60433 34.44233 7.88561 O - 8.38263 23.83800 8.38263 O - 9.74617 23.83800 7.52804 Si - 5.95950 23.83800 2.52921 O - 4.03339 25.15267 1.31467 O - 4.39096 23.83800 2.17283 Si - 0.00000 29.79750 2.52921 O -10.60433 27.87139 1.31467 O - 0.00000 28.22896 2.17283 Si - 7.88561 34.44233 1.31467 O - 7.52804 23.83800 2.17283 Si - 1.31467 31.72361 1.31467 O - 0.00000 31.36604 2.17283 Si - 5.95950 23.83800 9.38979 O - 4.03339 34.44233 10.60433 O - 4.39096 23.83800 9.74617 Si - 0.00000 29.79750 9.38979 O - 1.31467 27.87139 10.60433 O - 0.00000 28.22896 9.74617 Si - 7.88561 25.15267 10.60433 O - 7.52804 23.83800 9.74617 Si -10.60433 31.72361 10.60433 O - 0.00000 31.36604 9.74617 Si - 2.52921 29.79750 0.00000 O - 1.31467 27.87139 1.31467 O - 3.53637 27.37437 0.00000 O - 2.17283 28.22896 0.00000 Si - 1.31467 31.72361 10.60433 O - 3.53637 32.22063 0.00000 O - 2.17283 31.36604 0.00000 Si - 5.95950 26.36721 0.00000 O - 4.03339 25.15267 10.60433 O - 4.39096 26.01083 0.00000 Si - 9.38979 29.79750 0.00000 O -10.60433 27.87139 10.60433 O - 8.38263 27.37437 0.00000 O - 9.74617 28.22896 0.00000 Si - 5.95950 33.22779 0.00000 O - 7.88561 34.44233 10.60433 O - 8.38263 32.22063 0.00000 O - 7.52804 33.58417 0.00000 Si -10.60433 31.72361 1.31467 O - 9.74617 31.36604 0.00000 Si - 4.03339 34.44233 1.31467 O - 4.39096 33.58417 0.00000 Si - 7.88561 25.15267 1.31467 O - 7.52804 26.01083 0.00000 Si - 0.00000 26.36721 17.87850 O - 1.31467 25.15267 15.95239 O - 0.00000 27.37437 15.45537 O - 0.00000 26.01083 16.30996 Si - 9.38979 23.83800 17.87850 O -10.60433 25.15267 15.95239 O - 8.38263 23.83800 15.45537 O - 9.74617 23.83800 16.30996 Si - 0.00000 33.22779 17.87850 O -10.60433 34.44233 15.95239 O - 0.00000 32.22063 15.45537 O - 0.00000 33.58417 16.30996 Si - 2.52921 23.83800 17.87850 O - 1.31467 34.44233 15.95239 O - 3.53637 23.83800 15.45537 O - 2.17283 23.83800 16.30996 Si - 1.31467 34.44233 19.80461 O - 0.00000 32.22063 20.30163 O - 0.00000 33.58417 19.44704 Si - 1.31467 25.15267 19.80461 O - 3.53637 23.83800 20.30163 O - 2.17283 23.83800 19.44704 Si -10.60433 25.15267 19.80461 O - 0.00000 27.37437 20.30163 O - 0.00000 26.01083 19.44704 Si -10.60433 34.44233 19.80461 O - 8.38263 23.83800 20.30163 O - 9.74617 23.83800 19.44704 Si - 5.95950 23.83800 14.44821 O - 4.03339 25.15267 13.23367 O - 4.39096 23.83800 14.09183 Si - 0.00000 29.79750 14.44821 O -10.60433 27.87139 13.23367 O - 0.00000 28.22896 14.09183 Si - 7.88561 34.44233 13.23367 O - 7.52804 23.83800 14.09183 Si - 1.31467 31.72361 13.23367 O - 0.00000 31.36604 14.09183 Si - 5.95950 23.83800 21.30879 O - 4.03339 34.44233 22.52333 O - 4.39096 23.83800 21.66517 Si - 0.00000 29.79750 21.30879 O - 1.31467 27.87139 22.52333 O - 0.00000 28.22896 21.66517 Si - 7.88561 25.15267 22.52333 O - 7.52804 23.83800 21.66517 Si -10.60433 31.72361 22.52333 O - 0.00000 31.36604 21.66517 Si - 2.52921 29.79750 11.91900 O - 1.31467 27.87139 13.23367 O - 3.53637 27.37437 11.91900 O - 2.17283 28.22896 11.91900 Si - 1.31467 31.72361 22.52333 O - 3.53637 32.22063 11.91900 O - 2.17283 31.36604 11.91900 Si - 5.95950 26.36721 11.91900 O - 4.03339 25.15267 22.52333 O - 4.39096 26.01083 11.91900 Si - 9.38979 29.79750 11.91900 O -10.60433 27.87139 22.52333 O - 8.38263 27.37437 11.91900 O - 9.74617 28.22896 11.91900 Si - 5.95950 33.22779 11.91900 O - 7.88561 34.44233 22.52333 O - 8.38263 32.22063 11.91900 O - 7.52804 33.58417 11.91900 Si -10.60433 31.72361 13.23367 O - 9.74617 31.36604 11.91900 Si - 4.03339 34.44233 13.23367 O - 4.39096 33.58417 11.91900 Si - 7.88561 25.15267 13.23367 O - 7.52804 26.01083 11.91900 Si - 0.00000 26.36721 29.79750 O - 1.31467 25.15267 27.87139 O - 0.00000 27.37437 27.37437 O - 0.00000 26.01083 28.22896 Si - 9.38979 23.83800 29.79750 O -10.60433 25.15267 27.87139 O - 8.38263 23.83800 27.37437 O - 9.74617 23.83800 28.22896 Si - 0.00000 33.22779 29.79750 O -10.60433 34.44233 27.87139 O - 0.00000 32.22063 27.37437 O - 0.00000 33.58417 28.22896 Si - 2.52921 23.83800 29.79750 O - 1.31467 34.44233 27.87139 O - 3.53637 23.83800 27.37437 O - 2.17283 23.83800 28.22896 Si - 1.31467 34.44233 31.72361 O - 0.00000 32.22063 32.22063 O - 0.00000 33.58417 31.36604 Si - 1.31467 25.15267 31.72361 O - 3.53637 23.83800 32.22063 O - 2.17283 23.83800 31.36604 Si -10.60433 25.15267 31.72361 O - 0.00000 27.37437 32.22063 O - 0.00000 26.01083 31.36604 Si -10.60433 34.44233 31.72361 O - 8.38263 23.83800 32.22063 O - 9.74617 23.83800 31.36604 Si - 5.95950 23.83800 26.36721 O - 4.03339 25.15267 25.15267 O - 4.39096 23.83800 26.01083 Si - 0.00000 29.79750 26.36721 O -10.60433 27.87139 25.15267 O - 0.00000 28.22896 26.01083 Si - 7.88561 34.44233 25.15267 O - 7.52804 23.83800 26.01083 Si - 1.31467 31.72361 25.15267 O - 0.00000 31.36604 26.01083 Si - 5.95950 23.83800 33.22779 O - 4.03339 34.44233 34.44233 O - 4.39096 23.83800 33.58417 Si - 0.00000 29.79750 33.22779 O - 1.31467 27.87139 34.44233 O - 0.00000 28.22896 33.58417 Si - 7.88561 25.15267 34.44233 O - 7.52804 23.83800 33.58417 Si -10.60433 31.72361 34.44233 O - 0.00000 31.36604 33.58417 Si - 2.52921 29.79750 23.83800 O - 1.31467 27.87139 25.15267 O - 3.53637 27.37437 23.83800 O - 2.17283 28.22896 23.83800 Si - 1.31467 31.72361 34.44233 O - 3.53637 32.22063 23.83800 O - 2.17283 31.36604 23.83800 Si - 5.95950 26.36721 23.83800 O - 4.03339 25.15267 34.44233 O - 4.39096 26.01083 23.83800 Si - 9.38979 29.79750 23.83800 O -10.60433 27.87139 34.44233 O - 8.38263 27.37437 23.83800 O - 9.74617 28.22896 23.83800 Si - 5.95950 33.22779 23.83800 O - 7.88561 34.44233 34.44233 O - 8.38263 32.22063 23.83800 O - 7.52804 33.58417 23.83800 Si -10.60433 31.72361 25.15267 O - 9.74617 31.36604 23.83800 Si - 4.03339 34.44233 25.15267 O - 4.39096 33.58417 23.83800 Si - 7.88561 25.15267 25.15267 O - 7.52804 26.01083 23.83800 Si - 0.00000 26.36721 41.71650 O - 1.31467 25.15267 39.79039 O - 0.00000 27.37437 39.29337 O - 0.00000 26.01083 40.14796 Si - 9.38979 23.83800 41.71650 O -10.60433 25.15267 39.79039 O - 8.38263 23.83800 39.29337 O - 9.74617 23.83800 40.14796 Si - 0.00000 33.22779 41.71650 O -10.60433 34.44233 39.79039 O - 0.00000 32.22063 39.29337 O - 0.00000 33.58417 40.14796 Si - 2.52921 23.83800 41.71650 O - 1.31467 34.44233 39.79039 O - 3.53637 23.83800 39.29337 O - 2.17283 23.83800 40.14796 Si - 1.31467 34.44233 43.64261 O - 0.00000 32.22063 44.13963 O - 0.00000 33.58417 43.28504 Si - 1.31467 25.15267 43.64261 O - 3.53637 23.83800 44.13963 O - 2.17283 23.83800 43.28504 Si -10.60433 25.15267 43.64261 O - 0.00000 27.37437 44.13963 O - 0.00000 26.01083 43.28504 Si -10.60433 34.44233 43.64261 O - 8.38263 23.83800 44.13963 O - 9.74617 23.83800 43.28504 Si - 5.95950 23.83800 38.28621 O - 4.03339 25.15267 37.07167 O - 4.39096 23.83800 37.92983 Si - 0.00000 29.79750 38.28621 O -10.60433 27.87139 37.07167 O - 0.00000 28.22896 37.92983 Si - 7.88561 34.44233 37.07167 O - 7.52804 23.83800 37.92983 Si - 1.31467 31.72361 37.07167 O - 0.00000 31.36604 37.92983 Si - 5.95950 23.83800 45.14679 O - 4.03339 34.44233 46.36133 O - 4.39096 23.83800 45.50317 Si - 0.00000 29.79750 45.14679 O - 1.31467 27.87139 46.36133 O - 0.00000 28.22896 45.50317 Si - 7.88561 25.15267 46.36133 O - 7.52804 23.83800 45.50317 Si -10.60433 31.72361 46.36133 O - 0.00000 31.36604 45.50317 Si - 2.52921 29.79750 35.75700 O - 1.31467 27.87139 37.07167 O - 3.53637 27.37437 35.75700 O - 2.17283 28.22896 35.75700 Si - 1.31467 31.72361 46.36133 O - 3.53637 32.22063 35.75700 O - 2.17283 31.36604 35.75700 Si - 5.95950 26.36721 35.75700 O - 4.03339 25.15267 46.36133 O - 4.39096 26.01083 35.75700 Si - 9.38979 29.79750 35.75700 O -10.60433 27.87139 46.36133 O - 8.38263 27.37437 35.75700 O - 9.74617 28.22896 35.75700 Si - 5.95950 33.22779 35.75700 O - 7.88561 34.44233 46.36133 O - 8.38263 32.22063 35.75700 O - 7.52804 33.58417 35.75700 Si -10.60433 31.72361 37.07167 O - 9.74617 31.36604 35.75700 Si - 4.03339 34.44233 37.07167 O - 4.39096 33.58417 35.75700 Si - 7.88561 25.15267 37.07167 O - 7.52804 26.01083 35.75700 Si - 0.00000 38.28621 5.95950 O - 1.31467 37.07167 4.03339 O - 0.00000 39.29337 3.53637 O - 0.00000 37.92983 4.39096 Si - 9.38979 35.75700 5.95950 O -10.60433 37.07167 4.03339 O - 8.38263 35.75700 3.53637 O - 9.74617 35.75700 4.39096 Si - 0.00000 45.14679 5.95950 O -10.60433 46.36133 4.03339 O - 0.00000 44.13963 3.53637 O - 0.00000 45.50317 4.39096 Si - 2.52921 35.75700 5.95950 O - 1.31467 46.36133 4.03339 O - 3.53637 35.75700 3.53637 O - 2.17283 35.75700 4.39096 Si - 1.31467 46.36133 7.88561 O - 0.00000 44.13963 8.38263 O - 0.00000 45.50317 7.52804 Si - 1.31467 37.07167 7.88561 O - 3.53637 35.75700 8.38263 O - 2.17283 35.75700 7.52804 Si -10.60433 37.07167 7.88561 O - 0.00000 39.29337 8.38263 O - 0.00000 37.92983 7.52804 Si -10.60433 46.36133 7.88561 O - 8.38263 35.75700 8.38263 O - 9.74617 35.75700 7.52804 Si - 5.95950 35.75700 2.52921 O - 4.03339 37.07167 1.31467 O - 4.39096 35.75700 2.17283 Si - 0.00000 41.71650 2.52921 O -10.60433 39.79039 1.31467 O - 0.00000 40.14796 2.17283 Si - 7.88561 46.36133 1.31467 O - 7.52804 35.75700 2.17283 Si - 1.31467 43.64261 1.31467 O - 0.00000 43.28504 2.17283 Si - 5.95950 35.75700 9.38979 O - 4.03339 46.36133 10.60433 O - 4.39096 35.75700 9.74617 Si - 0.00000 41.71650 9.38979 O - 1.31467 39.79039 10.60433 O - 0.00000 40.14796 9.74617 Si - 7.88561 37.07167 10.60433 O - 7.52804 35.75700 9.74617 Si -10.60433 43.64261 10.60433 O - 0.00000 43.28504 9.74617 Si - 2.52921 41.71650 0.00000 O - 1.31467 39.79039 1.31467 O - 3.53637 39.29337 0.00000 O - 2.17283 40.14796 0.00000 Si - 1.31467 43.64261 10.60433 O - 3.53637 44.13963 0.00000 O - 2.17283 43.28504 0.00000 Si - 5.95950 38.28621 0.00000 O - 4.03339 37.07167 10.60433 O - 4.39096 37.92983 0.00000 Si - 9.38979 41.71650 0.00000 O -10.60433 39.79039 10.60433 O - 8.38263 39.29337 0.00000 O - 9.74617 40.14796 0.00000 Si - 5.95950 45.14679 0.00000 O - 7.88561 46.36133 10.60433 O - 8.38263 44.13963 0.00000 O - 7.52804 45.50317 0.00000 Si -10.60433 43.64261 1.31467 O - 9.74617 43.28504 0.00000 Si - 4.03339 46.36133 1.31467 O - 4.39096 45.50317 0.00000 Si - 7.88561 37.07167 1.31467 O - 7.52804 37.92983 0.00000 Si - 0.00000 38.28621 17.87850 O - 1.31467 37.07167 15.95239 O - 0.00000 39.29337 15.45537 O - 0.00000 37.92983 16.30996 Si - 9.38979 35.75700 17.87850 O -10.60433 37.07167 15.95239 O - 8.38263 35.75700 15.45537 O - 9.74617 35.75700 16.30996 Si - 0.00000 45.14679 17.87850 O -10.60433 46.36133 15.95239 O - 0.00000 44.13963 15.45537 O - 0.00000 45.50317 16.30996 Si - 2.52921 35.75700 17.87850 O - 1.31467 46.36133 15.95239 O - 3.53637 35.75700 15.45537 O - 2.17283 35.75700 16.30996 Si - 1.31467 46.36133 19.80461 O - 0.00000 44.13963 20.30163 O - 0.00000 45.50317 19.44704 Si - 1.31467 37.07167 19.80461 O - 3.53637 35.75700 20.30163 O - 2.17283 35.75700 19.44704 Si -10.60433 37.07167 19.80461 O - 0.00000 39.29337 20.30163 O - 0.00000 37.92983 19.44704 Si -10.60433 46.36133 19.80461 O - 8.38263 35.75700 20.30163 O - 9.74617 35.75700 19.44704 Si - 5.95950 35.75700 14.44821 O - 4.03339 37.07167 13.23367 O - 4.39096 35.75700 14.09183 Si - 0.00000 41.71650 14.44821 O -10.60433 39.79039 13.23367 O - 0.00000 40.14796 14.09183 Si - 7.88561 46.36133 13.23367 O - 7.52804 35.75700 14.09183 Si - 1.31467 43.64261 13.23367 O - 0.00000 43.28504 14.09183 Si - 5.95950 35.75700 21.30879 O - 4.03339 46.36133 22.52333 O - 4.39096 35.75700 21.66517 Si - 0.00000 41.71650 21.30879 O - 1.31467 39.79039 22.52333 O - 0.00000 40.14796 21.66517 Si - 7.88561 37.07167 22.52333 O - 7.52804 35.75700 21.66517 Si -10.60433 43.64261 22.52333 O - 0.00000 43.28504 21.66517 Si - 2.52921 41.71650 11.91900 O - 1.31467 39.79039 13.23367 O - 3.53637 39.29337 11.91900 O - 2.17283 40.14796 11.91900 Si - 1.31467 43.64261 22.52333 O - 3.53637 44.13963 11.91900 O - 2.17283 43.28504 11.91900 Si - 5.95950 38.28621 11.91900 O - 4.03339 37.07167 22.52333 O - 4.39096 37.92983 11.91900 Si - 9.38979 41.71650 11.91900 O -10.60433 39.79039 22.52333 O - 8.38263 39.29337 11.91900 O - 9.74617 40.14796 11.91900 Si - 5.95950 45.14679 11.91900 O - 7.88561 46.36133 22.52333 O - 8.38263 44.13963 11.91900 O - 7.52804 45.50317 11.91900 Si -10.60433 43.64261 13.23367 O - 9.74617 43.28504 11.91900 Si - 4.03339 46.36133 13.23367 O - 4.39096 45.50317 11.91900 Si - 7.88561 37.07167 13.23367 O - 7.52804 37.92983 11.91900 Si - 0.00000 38.28621 29.79750 O - 1.31467 37.07167 27.87139 O - 0.00000 39.29337 27.37437 O - 0.00000 37.92983 28.22896 Si - 9.38979 35.75700 29.79750 O -10.60433 37.07167 27.87139 O - 8.38263 35.75700 27.37437 O - 9.74617 35.75700 28.22896 Si - 0.00000 45.14679 29.79750 O -10.60433 46.36133 27.87139 O - 0.00000 44.13963 27.37437 O - 0.00000 45.50317 28.22896 Si - 2.52921 35.75700 29.79750 O - 1.31467 46.36133 27.87139 O - 3.53637 35.75700 27.37437 O - 2.17283 35.75700 28.22896 Si - 1.31467 46.36133 31.72361 O - 0.00000 44.13963 32.22063 O - 0.00000 45.50317 31.36604 Si - 1.31467 37.07167 31.72361 O - 3.53637 35.75700 32.22063 O - 2.17283 35.75700 31.36604 Si -10.60433 37.07167 31.72361 O - 0.00000 39.29337 32.22063 O - 0.00000 37.92983 31.36604 Si -10.60433 46.36133 31.72361 O - 8.38263 35.75700 32.22063 O - 9.74617 35.75700 31.36604 Si - 5.95950 35.75700 26.36721 O - 4.03339 37.07167 25.15267 O - 4.39096 35.75700 26.01083 Si - 0.00000 41.71650 26.36721 O -10.60433 39.79039 25.15267 O - 0.00000 40.14796 26.01083 Si - 7.88561 46.36133 25.15267 O - 7.52804 35.75700 26.01083 Si - 1.31467 43.64261 25.15267 O - 0.00000 43.28504 26.01083 Si - 5.95950 35.75700 33.22779 O - 4.03339 46.36133 34.44233 O - 4.39096 35.75700 33.58417 Si - 0.00000 41.71650 33.22779 O - 1.31467 39.79039 34.44233 O - 0.00000 40.14796 33.58417 Si - 7.88561 37.07167 34.44233 O - 7.52804 35.75700 33.58417 Si -10.60433 43.64261 34.44233 O - 0.00000 43.28504 33.58417 Si - 2.52921 41.71650 23.83800 O - 1.31467 39.79039 25.15267 O - 3.53637 39.29337 23.83800 O - 2.17283 40.14796 23.83800 Si - 1.31467 43.64261 34.44233 O - 3.53637 44.13963 23.83800 O - 2.17283 43.28504 23.83800 Si - 5.95950 38.28621 23.83800 O - 4.03339 37.07167 34.44233 O - 4.39096 37.92983 23.83800 Si - 9.38979 41.71650 23.83800 O -10.60433 39.79039 34.44233 O - 8.38263 39.29337 23.83800 O - 9.74617 40.14796 23.83800 Si - 5.95950 45.14679 23.83800 O - 7.88561 46.36133 34.44233 O - 8.38263 44.13963 23.83800 O - 7.52804 45.50317 23.83800 Si -10.60433 43.64261 25.15267 O - 9.74617 43.28504 23.83800 Si - 4.03339 46.36133 25.15267 O - 4.39096 45.50317 23.83800 Si - 7.88561 37.07167 25.15267 O - 7.52804 37.92983 23.83800 Si - 0.00000 38.28621 41.71650 O - 1.31467 37.07167 39.79039 O - 0.00000 39.29337 39.29337 O - 0.00000 37.92983 40.14796 Si - 9.38979 35.75700 41.71650 O -10.60433 37.07167 39.79039 O - 8.38263 35.75700 39.29337 O - 9.74617 35.75700 40.14796 Si - 0.00000 45.14679 41.71650 O -10.60433 46.36133 39.79039 O - 0.00000 44.13963 39.29337 O - 0.00000 45.50317 40.14796 Si - 2.52921 35.75700 41.71650 O - 1.31467 46.36133 39.79039 O - 3.53637 35.75700 39.29337 O - 2.17283 35.75700 40.14796 Si - 1.31467 46.36133 43.64261 O - 0.00000 44.13963 44.13963 O - 0.00000 45.50317 43.28504 Si - 1.31467 37.07167 43.64261 O - 3.53637 35.75700 44.13963 O - 2.17283 35.75700 43.28504 Si -10.60433 37.07167 43.64261 O - 0.00000 39.29337 44.13963 O - 0.00000 37.92983 43.28504 Si -10.60433 46.36133 43.64261 O - 8.38263 35.75700 44.13963 O - 9.74617 35.75700 43.28504 Si - 5.95950 35.75700 38.28621 O - 4.03339 37.07167 37.07167 O - 4.39096 35.75700 37.92983 Si - 0.00000 41.71650 38.28621 O -10.60433 39.79039 37.07167 O - 0.00000 40.14796 37.92983 Si - 7.88561 46.36133 37.07167 O - 7.52804 35.75700 37.92983 Si - 1.31467 43.64261 37.07167 O - 0.00000 43.28504 37.92983 Si - 5.95950 35.75700 45.14679 O - 4.03339 46.36133 46.36133 O - 4.39096 35.75700 45.50317 Si - 0.00000 41.71650 45.14679 O - 1.31467 39.79039 46.36133 O - 0.00000 40.14796 45.50317 Si - 7.88561 37.07167 46.36133 O - 7.52804 35.75700 45.50317 Si -10.60433 43.64261 46.36133 O - 0.00000 43.28504 45.50317 Si - 2.52921 41.71650 35.75700 O - 1.31467 39.79039 37.07167 O - 3.53637 39.29337 35.75700 O - 2.17283 40.14796 35.75700 Si - 1.31467 43.64261 46.36133 O - 3.53637 44.13963 35.75700 O - 2.17283 43.28504 35.75700 Si - 5.95950 38.28621 35.75700 O - 4.03339 37.07167 46.36133 O - 4.39096 37.92983 35.75700 Si - 9.38979 41.71650 35.75700 O -10.60433 39.79039 46.36133 O - 8.38263 39.29337 35.75700 O - 9.74617 40.14796 35.75700 Si - 5.95950 45.14679 35.75700 O - 7.88561 46.36133 46.36133 O - 8.38263 44.13963 35.75700 O - 7.52804 45.50317 35.75700 Si -10.60433 43.64261 37.07167 O - 9.74617 43.28504 35.75700 Si - 4.03339 46.36133 37.07167 O - 4.39096 45.50317 35.75700 Si - 7.88561 37.07167 37.07167 O - 7.52804 37.92983 35.75700 Si -11.91900 2.52921 5.95950 O -13.23367 1.31467 4.03339 O -11.91900 3.53637 3.53637 O -11.91900 2.17283 4.39096 Si -21.30879 0.00000 5.95950 O -22.52333 1.31467 4.03339 O -20.30163 0.00000 3.53637 O -21.66517 0.00000 4.39096 Si -11.91900 9.38979 5.95950 O -22.52333 10.60433 4.03339 O -11.91900 8.38263 3.53637 O -11.91900 9.74617 4.39096 Si -14.44821 0.00000 5.95950 O -13.23367 10.60433 4.03339 O -15.45537 0.00000 3.53637 O -14.09183 0.00000 4.39096 Si -13.23367 10.60433 7.88561 O -11.91900 8.38263 8.38263 O -11.91900 9.74617 7.52804 Si -13.23367 1.31467 7.88561 O -15.45537 0.00000 8.38263 O -14.09183 0.00000 7.52804 Si -22.52333 1.31467 7.88561 O -11.91900 3.53637 8.38263 O -11.91900 2.17283 7.52804 Si -22.52333 10.60433 7.88561 O -20.30163 0.00000 8.38263 O -21.66517 0.00000 7.52804 Si -17.87850 0.00000 2.52921 O -15.95239 1.31467 1.31467 O -16.30996 0.00000 2.17283 Si -11.91900 5.95950 2.52921 O -22.52333 4.03339 1.31467 O -11.91900 4.39096 2.17283 Si -19.80461 10.60433 1.31467 O -19.44704 0.00000 2.17283 Si -13.23367 7.88561 1.31467 O -11.91900 7.52804 2.17283 Si -17.87850 0.00000 9.38979 O -15.95239 10.60433 10.60433 O -16.30996 0.00000 9.74617 Si -11.91900 5.95950 9.38979 O -13.23367 4.03339 10.60433 O -11.91900 4.39096 9.74617 Si -19.80461 1.31467 10.60433 O -19.44704 0.00000 9.74617 Si -22.52333 7.88561 10.60433 O -11.91900 7.52804 9.74617 Si -14.44821 5.95950 0.00000 O -13.23367 4.03339 1.31467 O -15.45537 3.53637 0.00000 O -14.09183 4.39096 0.00000 Si -13.23367 7.88561 10.60433 O -15.45537 8.38263 0.00000 O -14.09183 7.52804 0.00000 Si -17.87850 2.52921 0.00000 O -15.95239 1.31467 10.60433 O -16.30996 2.17283 0.00000 Si -21.30879 5.95950 0.00000 O -22.52333 4.03339 10.60433 O -20.30163 3.53637 0.00000 O -21.66517 4.39096 0.00000 Si -17.87850 9.38979 0.00000 O -19.80461 10.60433 10.60433 O -20.30163 8.38263 0.00000 O -19.44704 9.74617 0.00000 Si -22.52333 7.88561 1.31467 O -21.66517 7.52804 0.00000 Si -15.95239 10.60433 1.31467 O -16.30996 9.74617 0.00000 Si -19.80461 1.31467 1.31467 O -19.44704 2.17283 0.00000 Si -11.91900 2.52921 17.87850 O -13.23367 1.31467 15.95239 O -11.91900 3.53637 15.45537 O -11.91900 2.17283 16.30996 Si -21.30879 0.00000 17.87850 O -22.52333 1.31467 15.95239 O -20.30163 0.00000 15.45537 O -21.66517 0.00000 16.30996 Si -11.91900 9.38979 17.87850 O -22.52333 10.60433 15.95239 O -11.91900 8.38263 15.45537 O -11.91900 9.74617 16.30996 Si -14.44821 0.00000 17.87850 O -13.23367 10.60433 15.95239 O -15.45537 0.00000 15.45537 O -14.09183 0.00000 16.30996 Si -13.23367 10.60433 19.80461 O -11.91900 8.38263 20.30163 O -11.91900 9.74617 19.44704 Si -13.23367 1.31467 19.80461 O -15.45537 0.00000 20.30163 O -14.09183 0.00000 19.44704 Si -22.52333 1.31467 19.80461 O -11.91900 3.53637 20.30163 O -11.91900 2.17283 19.44704 Si -22.52333 10.60433 19.80461 O -20.30163 0.00000 20.30163 O -21.66517 0.00000 19.44704 Si -17.87850 0.00000 14.44821 O -15.95239 1.31467 13.23367 O -16.30996 0.00000 14.09183 Si -11.91900 5.95950 14.44821 O -22.52333 4.03339 13.23367 O -11.91900 4.39096 14.09183 Si -19.80461 10.60433 13.23367 O -19.44704 0.00000 14.09183 Si -13.23367 7.88561 13.23367 O -11.91900 7.52804 14.09183 Si -17.87850 0.00000 21.30879 O -15.95239 10.60433 22.52333 O -16.30996 0.00000 21.66517 Si -11.91900 5.95950 21.30879 O -13.23367 4.03339 22.52333 O -11.91900 4.39096 21.66517 Si -19.80461 1.31467 22.52333 O -19.44704 0.00000 21.66517 Si -22.52333 7.88561 22.52333 O -11.91900 7.52804 21.66517 Si -14.44821 5.95950 11.91900 O -13.23367 4.03339 13.23367 O -15.45537 3.53637 11.91900 O -14.09183 4.39096 11.91900 Si -13.23367 7.88561 22.52333 O -15.45537 8.38263 11.91900 O -14.09183 7.52804 11.91900 Si -17.87850 2.52921 11.91900 O -15.95239 1.31467 22.52333 O -16.30996 2.17283 11.91900 Si -21.30879 5.95950 11.91900 O -22.52333 4.03339 22.52333 O -20.30163 3.53637 11.91900 O -21.66517 4.39096 11.91900 Si -17.87850 9.38979 11.91900 O -19.80461 10.60433 22.52333 O -20.30163 8.38263 11.91900 O -19.44704 9.74617 11.91900 Si -22.52333 7.88561 13.23367 O -21.66517 7.52804 11.91900 Si -15.95239 10.60433 13.23367 O -16.30996 9.74617 11.91900 Si -19.80461 1.31467 13.23367 O -19.44704 2.17283 11.91900 Si -11.91900 2.52921 29.79750 O -13.23367 1.31467 27.87139 O -11.91900 3.53637 27.37437 O -11.91900 2.17283 28.22896 Si -21.30879 0.00000 29.79750 O -22.52333 1.31467 27.87139 O -20.30163 0.00000 27.37437 O -21.66517 0.00000 28.22896 Si -11.91900 9.38979 29.79750 O -22.52333 10.60433 27.87139 O -11.91900 8.38263 27.37437 O -11.91900 9.74617 28.22896 Si -14.44821 0.00000 29.79750 O -13.23367 10.60433 27.87139 O -15.45537 0.00000 27.37437 O -14.09183 0.00000 28.22896 Si -13.23367 10.60433 31.72361 O -11.91900 8.38263 32.22063 O -11.91900 9.74617 31.36604 Si -13.23367 1.31467 31.72361 O -15.45537 0.00000 32.22063 O -14.09183 0.00000 31.36604 Si -22.52333 1.31467 31.72361 O -11.91900 3.53637 32.22063 O -11.91900 2.17283 31.36604 Si -22.52333 10.60433 31.72361 O -20.30163 0.00000 32.22063 O -21.66517 0.00000 31.36604 Si -17.87850 0.00000 26.36721 O -15.95239 1.31467 25.15267 O -16.30996 0.00000 26.01083 Si -11.91900 5.95950 26.36721 O -22.52333 4.03339 25.15267 O -11.91900 4.39096 26.01083 Si -19.80461 10.60433 25.15267 O -19.44704 0.00000 26.01083 Si -13.23367 7.88561 25.15267 O -11.91900 7.52804 26.01083 Si -17.87850 0.00000 33.22779 O -15.95239 10.60433 34.44233 O -16.30996 0.00000 33.58417 Si -11.91900 5.95950 33.22779 O -13.23367 4.03339 34.44233 O -11.91900 4.39096 33.58417 Si -19.80461 1.31467 34.44233 O -19.44704 0.00000 33.58417 Si -22.52333 7.88561 34.44233 O -11.91900 7.52804 33.58417 Si -14.44821 5.95950 23.83800 O -13.23367 4.03339 25.15267 O -15.45537 3.53637 23.83800 O -14.09183 4.39096 23.83800 Si -13.23367 7.88561 34.44233 O -15.45537 8.38263 23.83800 O -14.09183 7.52804 23.83800 Si -17.87850 2.52921 23.83800 O -15.95239 1.31467 34.44233 O -16.30996 2.17283 23.83800 Si -21.30879 5.95950 23.83800 O -22.52333 4.03339 34.44233 O -20.30163 3.53637 23.83800 O -21.66517 4.39096 23.83800 Si -17.87850 9.38979 23.83800 O -19.80461 10.60433 34.44233 O -20.30163 8.38263 23.83800 O -19.44704 9.74617 23.83800 Si -22.52333 7.88561 25.15267 O -21.66517 7.52804 23.83800 Si -15.95239 10.60433 25.15267 O -16.30996 9.74617 23.83800 Si -19.80461 1.31467 25.15267 O -19.44704 2.17283 23.83800 Si -11.91900 2.52921 41.71650 O -13.23367 1.31467 39.79039 O -11.91900 3.53637 39.29337 O -11.91900 2.17283 40.14796 Si -21.30879 0.00000 41.71650 O -22.52333 1.31467 39.79039 O -20.30163 0.00000 39.29337 O -21.66517 0.00000 40.14796 Si -11.91900 9.38979 41.71650 O -22.52333 10.60433 39.79039 O -11.91900 8.38263 39.29337 O -11.91900 9.74617 40.14796 Si -14.44821 0.00000 41.71650 O -13.23367 10.60433 39.79039 O -15.45537 0.00000 39.29337 O -14.09183 0.00000 40.14796 Si -13.23367 10.60433 43.64261 O -11.91900 8.38263 44.13963 O -11.91900 9.74617 43.28504 Si -13.23367 1.31467 43.64261 O -15.45537 0.00000 44.13963 O -14.09183 0.00000 43.28504 Si -22.52333 1.31467 43.64261 O -11.91900 3.53637 44.13963 O -11.91900 2.17283 43.28504 Si -22.52333 10.60433 43.64261 O -20.30163 0.00000 44.13963 O -21.66517 0.00000 43.28504 Si -17.87850 0.00000 38.28621 O -15.95239 1.31467 37.07167 O -16.30996 0.00000 37.92983 Si -11.91900 5.95950 38.28621 O -22.52333 4.03339 37.07167 O -11.91900 4.39096 37.92983 Si -19.80461 10.60433 37.07167 O -19.44704 0.00000 37.92983 Si -13.23367 7.88561 37.07167 O -11.91900 7.52804 37.92983 Si -17.87850 0.00000 45.14679 O -15.95239 10.60433 46.36133 O -16.30996 0.00000 45.50317 Si -11.91900 5.95950 45.14679 O -13.23367 4.03339 46.36133 O -11.91900 4.39096 45.50317 Si -19.80461 1.31467 46.36133 O -19.44704 0.00000 45.50317 Si -22.52333 7.88561 46.36133 O -11.91900 7.52804 45.50317 Si -14.44821 5.95950 35.75700 O -13.23367 4.03339 37.07167 O -15.45537 3.53637 35.75700 O -14.09183 4.39096 35.75700 Si -13.23367 7.88561 46.36133 O -15.45537 8.38263 35.75700 O -14.09183 7.52804 35.75700 Si -17.87850 2.52921 35.75700 O -15.95239 1.31467 46.36133 O -16.30996 2.17283 35.75700 Si -21.30879 5.95950 35.75700 O -22.52333 4.03339 46.36133 O -20.30163 3.53637 35.75700 O -21.66517 4.39096 35.75700 Si -17.87850 9.38979 35.75700 O -19.80461 10.60433 46.36133 O -20.30163 8.38263 35.75700 O -19.44704 9.74617 35.75700 Si -22.52333 7.88561 37.07167 O -21.66517 7.52804 35.75700 Si -15.95239 10.60433 37.07167 O -16.30996 9.74617 35.75700 Si -19.80461 1.31467 37.07167 O -19.44704 2.17283 35.75700 Si -11.91900 14.44821 5.95950 O -13.23367 13.23367 4.03339 O -11.91900 15.45537 3.53637 O -11.91900 14.09183 4.39096 Si -21.30879 11.91900 5.95950 O -22.52333 13.23367 4.03339 O -20.30163 11.91900 3.53637 O -21.66517 11.91900 4.39096 Si -11.91900 21.30879 5.95950 O -22.52333 22.52333 4.03339 O -11.91900 20.30163 3.53637 O -11.91900 21.66517 4.39096 Si -14.44821 11.91900 5.95950 O -13.23367 22.52333 4.03339 O -15.45537 11.91900 3.53637 O -14.09183 11.91900 4.39096 Si -13.23367 22.52333 7.88561 O -11.91900 20.30163 8.38263 O -11.91900 21.66517 7.52804 Si -13.23367 13.23367 7.88561 O -15.45537 11.91900 8.38263 O -14.09183 11.91900 7.52804 Si -22.52333 13.23367 7.88561 O -11.91900 15.45537 8.38263 O -11.91900 14.09183 7.52804 Si -22.52333 22.52333 7.88561 O -20.30163 11.91900 8.38263 O -21.66517 11.91900 7.52804 Si -17.87850 11.91900 2.52921 O -15.95239 13.23367 1.31467 O -16.30996 11.91900 2.17283 Si -11.91900 17.87850 2.52921 O -22.52333 15.95239 1.31467 O -11.91900 16.30996 2.17283 Si -19.80461 22.52333 1.31467 O -19.44704 11.91900 2.17283 Si -13.23367 19.80461 1.31467 O -11.91900 19.44704 2.17283 Si -17.87850 11.91900 9.38979 O -15.95239 22.52333 10.60433 O -16.30996 11.91900 9.74617 Si -11.91900 17.87850 9.38979 O -13.23367 15.95239 10.60433 O -11.91900 16.30996 9.74617 Si -19.80461 13.23367 10.60433 O -19.44704 11.91900 9.74617 Si -22.52333 19.80461 10.60433 O -11.91900 19.44704 9.74617 Si -14.44821 17.87850 0.00000 O -13.23367 15.95239 1.31467 O -15.45537 15.45537 0.00000 O -14.09183 16.30996 0.00000 Si -13.23367 19.80461 10.60433 O -15.45537 20.30163 0.00000 O -14.09183 19.44704 0.00000 Si -17.87850 14.44821 0.00000 O -15.95239 13.23367 10.60433 O -16.30996 14.09183 0.00000 Si -21.30879 17.87850 0.00000 O -22.52333 15.95239 10.60433 O -20.30163 15.45537 0.00000 O -21.66517 16.30996 0.00000 Si -17.87850 21.30879 0.00000 O -19.80461 22.52333 10.60433 O -20.30163 20.30163 0.00000 O -19.44704 21.66517 0.00000 Si -22.52333 19.80461 1.31467 O -21.66517 19.44704 0.00000 Si -15.95239 22.52333 1.31467 O -16.30996 21.66517 0.00000 Si -19.80461 13.23367 1.31467 O -19.44704 14.09183 0.00000 Si -11.91900 14.44821 17.87850 O -13.23367 13.23367 15.95239 O -11.91900 15.45537 15.45537 O -11.91900 14.09183 16.30996 Si -21.30879 11.91900 17.87850 O -22.52333 13.23367 15.95239 O -20.30163 11.91900 15.45537 O -21.66517 11.91900 16.30996 Si -11.91900 21.30879 17.87850 O -22.52333 22.52333 15.95239 O -11.91900 20.30163 15.45537 O -11.91900 21.66517 16.30996 Si -14.44821 11.91900 17.87850 O -13.23367 22.52333 15.95239 O -15.45537 11.91900 15.45537 O -14.09183 11.91900 16.30996 Si -13.23367 22.52333 19.80461 O -11.91900 20.30163 20.30163 O -11.91900 21.66517 19.44704 Si -13.23367 13.23367 19.80461 O -15.45537 11.91900 20.30163 O -14.09183 11.91900 19.44704 Si -22.52333 13.23367 19.80461 O -11.91900 15.45537 20.30163 O -11.91900 14.09183 19.44704 Si -22.52333 22.52333 19.80461 O -20.30163 11.91900 20.30163 O -21.66517 11.91900 19.44704 Si -17.87850 11.91900 14.44821 O -15.95239 13.23367 13.23367 O -16.30996 11.91900 14.09183 Si -11.91900 17.87850 14.44821 O -22.52333 15.95239 13.23367 O -11.91900 16.30996 14.09183 Si -19.80461 22.52333 13.23367 O -19.44704 11.91900 14.09183 Si -13.23367 19.80461 13.23367 O -11.91900 19.44704 14.09183 Si -17.87850 11.91900 21.30879 O -15.95239 22.52333 22.52333 O -16.30996 11.91900 21.66517 Si -11.91900 17.87850 21.30879 O -13.23367 15.95239 22.52333 O -11.91900 16.30996 21.66517 Si -19.80461 13.23367 22.52333 O -19.44704 11.91900 21.66517 Si -22.52333 19.80461 22.52333 O -11.91900 19.44704 21.66517 Si -14.44821 17.87850 11.91900 O -13.23367 15.95239 13.23367 O -15.45537 15.45537 11.91900 O -14.09183 16.30996 11.91900 Si -13.23367 19.80461 22.52333 O -15.45537 20.30163 11.91900 O -14.09183 19.44704 11.91900 Si -17.87850 14.44821 11.91900 O -15.95239 13.23367 22.52333 O -16.30996 14.09183 11.91900 Si -21.30879 17.87850 11.91900 O -22.52333 15.95239 22.52333 O -20.30163 15.45537 11.91900 O -21.66517 16.30996 11.91900 Si -17.87850 21.30879 11.91900 O -19.80461 22.52333 22.52333 O -20.30163 20.30163 11.91900 O -19.44704 21.66517 11.91900 Si -22.52333 19.80461 13.23367 O -21.66517 19.44704 11.91900 Si -15.95239 22.52333 13.23367 O -16.30996 21.66517 11.91900 Si -19.80461 13.23367 13.23367 O -19.44704 14.09183 11.91900 Si -11.91900 14.44821 29.79750 O -13.23367 13.23367 27.87139 O -11.91900 15.45537 27.37437 O -11.91900 14.09183 28.22896 Si -21.30879 11.91900 29.79750 O -22.52333 13.23367 27.87139 O -20.30163 11.91900 27.37437 O -21.66517 11.91900 28.22896 Si -11.91900 21.30879 29.79750 O -22.52333 22.52333 27.87139 O -11.91900 20.30163 27.37437 O -11.91900 21.66517 28.22896 Si -14.44821 11.91900 29.79750 O -13.23367 22.52333 27.87139 O -15.45537 11.91900 27.37437 O -14.09183 11.91900 28.22896 Si -13.23367 22.52333 31.72361 O -11.91900 20.30163 32.22063 O -11.91900 21.66517 31.36604 Si -13.23367 13.23367 31.72361 O -15.45537 11.91900 32.22063 O -14.09183 11.91900 31.36604 Si -22.52333 13.23367 31.72361 O -11.91900 15.45537 32.22063 O -11.91900 14.09183 31.36604 Si -22.52333 22.52333 31.72361 O -20.30163 11.91900 32.22063 O -21.66517 11.91900 31.36604 Si -17.87850 11.91900 26.36721 O -15.95239 13.23367 25.15267 O -16.30996 11.91900 26.01083 Si -11.91900 17.87850 26.36721 O -22.52333 15.95239 25.15267 O -11.91900 16.30996 26.01083 Si -19.80461 22.52333 25.15267 O -19.44704 11.91900 26.01083 Si -13.23367 19.80461 25.15267 O -11.91900 19.44704 26.01083 Si -17.87850 11.91900 33.22779 O -15.95239 22.52333 34.44233 O -16.30996 11.91900 33.58417 Si -11.91900 17.87850 33.22779 O -13.23367 15.95239 34.44233 O -11.91900 16.30996 33.58417 Si -19.80461 13.23367 34.44233 O -19.44704 11.91900 33.58417 Si -22.52333 19.80461 34.44233 O -11.91900 19.44704 33.58417 Si -14.44821 17.87850 23.83800 O -13.23367 15.95239 25.15267 O -15.45537 15.45537 23.83800 O -14.09183 16.30996 23.83800 Si -13.23367 19.80461 34.44233 O -15.45537 20.30163 23.83800 O -14.09183 19.44704 23.83800 Si -17.87850 14.44821 23.83800 O -15.95239 13.23367 34.44233 O -16.30996 14.09183 23.83800 Si -21.30879 17.87850 23.83800 O -22.52333 15.95239 34.44233 O -20.30163 15.45537 23.83800 O -21.66517 16.30996 23.83800 Si -17.87850 21.30879 23.83800 O -19.80461 22.52333 34.44233 O -20.30163 20.30163 23.83800 O -19.44704 21.66517 23.83800 Si -22.52333 19.80461 25.15267 O -21.66517 19.44704 23.83800 Si -15.95239 22.52333 25.15267 O -16.30996 21.66517 23.83800 Si -19.80461 13.23367 25.15267 O -19.44704 14.09183 23.83800 Si -11.91900 14.44821 41.71650 O -13.23367 13.23367 39.79039 O -11.91900 15.45537 39.29337 O -11.91900 14.09183 40.14796 Si -21.30879 11.91900 41.71650 O -22.52333 13.23367 39.79039 O -20.30163 11.91900 39.29337 O -21.66517 11.91900 40.14796 Si -11.91900 21.30879 41.71650 O -22.52333 22.52333 39.79039 O -11.91900 20.30163 39.29337 O -11.91900 21.66517 40.14796 Si -14.44821 11.91900 41.71650 O -13.23367 22.52333 39.79039 O -15.45537 11.91900 39.29337 O -14.09183 11.91900 40.14796 Si -13.23367 22.52333 43.64261 O -11.91900 20.30163 44.13963 O -11.91900 21.66517 43.28504 Si -13.23367 13.23367 43.64261 O -15.45537 11.91900 44.13963 O -14.09183 11.91900 43.28504 Si -22.52333 13.23367 43.64261 O -11.91900 15.45537 44.13963 O -11.91900 14.09183 43.28504 Si -22.52333 22.52333 43.64261 O -20.30163 11.91900 44.13963 O -21.66517 11.91900 43.28504 Si -17.87850 11.91900 38.28621 O -15.95239 13.23367 37.07167 O -16.30996 11.91900 37.92983 Si -11.91900 17.87850 38.28621 O -22.52333 15.95239 37.07167 O -11.91900 16.30996 37.92983 Si -19.80461 22.52333 37.07167 O -19.44704 11.91900 37.92983 Si -13.23367 19.80461 37.07167 O -11.91900 19.44704 37.92983 Si -17.87850 11.91900 45.14679 O -15.95239 22.52333 46.36133 O -16.30996 11.91900 45.50317 Si -11.91900 17.87850 45.14679 O -13.23367 15.95239 46.36133 O -11.91900 16.30996 45.50317 Si -19.80461 13.23367 46.36133 O -19.44704 11.91900 45.50317 Si -22.52333 19.80461 46.36133 O -11.91900 19.44704 45.50317 Si -14.44821 17.87850 35.75700 O -13.23367 15.95239 37.07167 O -15.45537 15.45537 35.75700 O -14.09183 16.30996 35.75700 Si -13.23367 19.80461 46.36133 O -15.45537 20.30163 35.75700 O -14.09183 19.44704 35.75700 Si -17.87850 14.44821 35.75700 O -15.95239 13.23367 46.36133 O -16.30996 14.09183 35.75700 Si -21.30879 17.87850 35.75700 O -22.52333 15.95239 46.36133 O -20.30163 15.45537 35.75700 O -21.66517 16.30996 35.75700 Si -17.87850 21.30879 35.75700 O -19.80461 22.52333 46.36133 O -20.30163 20.30163 35.75700 O -19.44704 21.66517 35.75700 Si -22.52333 19.80461 37.07167 O -21.66517 19.44704 35.75700 Si -15.95239 22.52333 37.07167 O -16.30996 21.66517 35.75700 Si -19.80461 13.23367 37.07167 O -19.44704 14.09183 35.75700 Si -11.91900 26.36721 5.95950 O -13.23367 25.15267 4.03339 O -11.91900 27.37437 3.53637 O -11.91900 26.01083 4.39096 Si -21.30879 23.83800 5.95950 O -22.52333 25.15267 4.03339 O -20.30163 23.83800 3.53637 O -21.66517 23.83800 4.39096 Si -11.91900 33.22779 5.95950 O -22.52333 34.44233 4.03339 O -11.91900 32.22063 3.53637 O -11.91900 33.58417 4.39096 Si -14.44821 23.83800 5.95950 O -13.23367 34.44233 4.03339 O -15.45537 23.83800 3.53637 O -14.09183 23.83800 4.39096 Si -13.23367 34.44233 7.88561 O -11.91900 32.22063 8.38263 O -11.91900 33.58417 7.52804 Si -13.23367 25.15267 7.88561 O -15.45537 23.83800 8.38263 O -14.09183 23.83800 7.52804 Si -22.52333 25.15267 7.88561 O -11.91900 27.37437 8.38263 O -11.91900 26.01083 7.52804 Si -22.52333 34.44233 7.88561 O -20.30163 23.83800 8.38263 O -21.66517 23.83800 7.52804 Si -17.87850 23.83800 2.52921 O -15.95239 25.15267 1.31467 O -16.30996 23.83800 2.17283 Si -11.91900 29.79750 2.52921 O -22.52333 27.87139 1.31467 O -11.91900 28.22896 2.17283 Si -19.80461 34.44233 1.31467 O -19.44704 23.83800 2.17283 Si -13.23367 31.72361 1.31467 O -11.91900 31.36604 2.17283 Si -17.87850 23.83800 9.38979 O -15.95239 34.44233 10.60433 O -16.30996 23.83800 9.74617 Si -11.91900 29.79750 9.38979 O -13.23367 27.87139 10.60433 O -11.91900 28.22896 9.74617 Si -19.80461 25.15267 10.60433 O -19.44704 23.83800 9.74617 Si -22.52333 31.72361 10.60433 O -11.91900 31.36604 9.74617 Si -14.44821 29.79750 0.00000 O -13.23367 27.87139 1.31467 O -15.45537 27.37437 0.00000 O -14.09183 28.22896 0.00000 Si -13.23367 31.72361 10.60433 O -15.45537 32.22063 0.00000 O -14.09183 31.36604 0.00000 Si -17.87850 26.36721 0.00000 O -15.95239 25.15267 10.60433 O -16.30996 26.01083 0.00000 Si -21.30879 29.79750 0.00000 O -22.52333 27.87139 10.60433 O -20.30163 27.37437 0.00000 O -21.66517 28.22896 0.00000 Si -17.87850 33.22779 0.00000 O -19.80461 34.44233 10.60433 O -20.30163 32.22063 0.00000 O -19.44704 33.58417 0.00000 Si -22.52333 31.72361 1.31467 O -21.66517 31.36604 0.00000 Si -15.95239 34.44233 1.31467 O -16.30996 33.58417 0.00000 Si -19.80461 25.15267 1.31467 O -19.44704 26.01083 0.00000 Si -11.91900 26.36721 17.87850 O -13.23367 25.15267 15.95239 O -11.91900 27.37437 15.45537 O -11.91900 26.01083 16.30996 Si -21.30879 23.83800 17.87850 O -22.52333 25.15267 15.95239 O -20.30163 23.83800 15.45537 O -21.66517 23.83800 16.30996 Si -11.91900 33.22779 17.87850 O -22.52333 34.44233 15.95239 O -11.91900 32.22063 15.45537 O -11.91900 33.58417 16.30996 Si -14.44821 23.83800 17.87850 O -13.23367 34.44233 15.95239 O -15.45537 23.83800 15.45537 O -14.09183 23.83800 16.30996 Si -13.23367 34.44233 19.80461 O -11.91900 32.22063 20.30163 O -11.91900 33.58417 19.44704 Si -13.23367 25.15267 19.80461 O -15.45537 23.83800 20.30163 O -14.09183 23.83800 19.44704 Si -22.52333 25.15267 19.80461 O -11.91900 27.37437 20.30163 O -11.91900 26.01083 19.44704 Si -22.52333 34.44233 19.80461 O -20.30163 23.83800 20.30163 O -21.66517 23.83800 19.44704 Si -17.87850 23.83800 14.44821 O -15.95239 25.15267 13.23367 O -16.30996 23.83800 14.09183 Si -11.91900 29.79750 14.44821 O -22.52333 27.87139 13.23367 O -11.91900 28.22896 14.09183 Si -19.80461 34.44233 13.23367 O -19.44704 23.83800 14.09183 Si -13.23367 31.72361 13.23367 O -11.91900 31.36604 14.09183 Si -17.87850 23.83800 21.30879 O -15.95239 34.44233 22.52333 O -16.30996 23.83800 21.66517 Si -11.91900 29.79750 21.30879 O -13.23367 27.87139 22.52333 O -11.91900 28.22896 21.66517 Si -19.80461 25.15267 22.52333 O -19.44704 23.83800 21.66517 Si -22.52333 31.72361 22.52333 O -11.91900 31.36604 21.66517 Si -14.44821 29.79750 11.91900 O -13.23367 27.87139 13.23367 O -15.45537 27.37437 11.91900 O -14.09183 28.22896 11.91900 Si -13.23367 31.72361 22.52333 O -15.45537 32.22063 11.91900 O -14.09183 31.36604 11.91900 Si -17.87850 26.36721 11.91900 O -15.95239 25.15267 22.52333 O -16.30996 26.01083 11.91900 Si -21.30879 29.79750 11.91900 O -22.52333 27.87139 22.52333 O -20.30163 27.37437 11.91900 O -21.66517 28.22896 11.91900 Si -17.87850 33.22779 11.91900 O -19.80461 34.44233 22.52333 O -20.30163 32.22063 11.91900 O -19.44704 33.58417 11.91900 Si -22.52333 31.72361 13.23367 O -21.66517 31.36604 11.91900 Si -15.95239 34.44233 13.23367 O -16.30996 33.58417 11.91900 Si -19.80461 25.15267 13.23367 O -19.44704 26.01083 11.91900 Si -11.91900 26.36721 29.79750 O -13.23367 25.15267 27.87139 O -11.91900 27.37437 27.37437 O -11.91900 26.01083 28.22896 Si -21.30879 23.83800 29.79750 O -22.52333 25.15267 27.87139 O -20.30163 23.83800 27.37437 O -21.66517 23.83800 28.22896 Si -11.91900 33.22779 29.79750 O -22.52333 34.44233 27.87139 O -11.91900 32.22063 27.37437 O -11.91900 33.58417 28.22896 Si -14.44821 23.83800 29.79750 O -13.23367 34.44233 27.87139 O -15.45537 23.83800 27.37437 O -14.09183 23.83800 28.22896 Si -13.23367 34.44233 31.72361 O -11.91900 32.22063 32.22063 O -11.91900 33.58417 31.36604 Si -13.23367 25.15267 31.72361 O -15.45537 23.83800 32.22063 O -14.09183 23.83800 31.36604 Si -22.52333 25.15267 31.72361 O -11.91900 27.37437 32.22063 O -11.91900 26.01083 31.36604 Si -22.52333 34.44233 31.72361 O -20.30163 23.83800 32.22063 O -21.66517 23.83800 31.36604 Si -17.87850 23.83800 26.36721 O -15.95239 25.15267 25.15267 O -16.30996 23.83800 26.01083 Si -11.91900 29.79750 26.36721 O -22.52333 27.87139 25.15267 O -11.91900 28.22896 26.01083 Si -19.80461 34.44233 25.15267 O -19.44704 23.83800 26.01083 Si -13.23367 31.72361 25.15267 O -11.91900 31.36604 26.01083 Si -17.87850 23.83800 33.22779 O -15.95239 34.44233 34.44233 O -16.30996 23.83800 33.58417 Si -11.91900 29.79750 33.22779 O -13.23367 27.87139 34.44233 O -11.91900 28.22896 33.58417 Si -19.80461 25.15267 34.44233 O -19.44704 23.83800 33.58417 Si -22.52333 31.72361 34.44233 O -11.91900 31.36604 33.58417 Si -14.44821 29.79750 23.83800 O -13.23367 27.87139 25.15267 O -15.45537 27.37437 23.83800 O -14.09183 28.22896 23.83800 Si -13.23367 31.72361 34.44233 O -15.45537 32.22063 23.83800 O -14.09183 31.36604 23.83800 Si -17.87850 26.36721 23.83800 O -15.95239 25.15267 34.44233 O -16.30996 26.01083 23.83800 Si -21.30879 29.79750 23.83800 O -22.52333 27.87139 34.44233 O -20.30163 27.37437 23.83800 O -21.66517 28.22896 23.83800 Si -17.87850 33.22779 23.83800 O -19.80461 34.44233 34.44233 O -20.30163 32.22063 23.83800 O -19.44704 33.58417 23.83800 Si -22.52333 31.72361 25.15267 O -21.66517 31.36604 23.83800 Si -15.95239 34.44233 25.15267 O -16.30996 33.58417 23.83800 Si -19.80461 25.15267 25.15267 O -19.44704 26.01083 23.83800 Si -11.91900 26.36721 41.71650 O -13.23367 25.15267 39.79039 O -11.91900 27.37437 39.29337 O -11.91900 26.01083 40.14796 Si -21.30879 23.83800 41.71650 O -22.52333 25.15267 39.79039 O -20.30163 23.83800 39.29337 O -21.66517 23.83800 40.14796 Si -11.91900 33.22779 41.71650 O -22.52333 34.44233 39.79039 O -11.91900 32.22063 39.29337 O -11.91900 33.58417 40.14796 Si -14.44821 23.83800 41.71650 O -13.23367 34.44233 39.79039 O -15.45537 23.83800 39.29337 O -14.09183 23.83800 40.14796 Si -13.23367 34.44233 43.64261 O -11.91900 32.22063 44.13963 O -11.91900 33.58417 43.28504 Si -13.23367 25.15267 43.64261 O -15.45537 23.83800 44.13963 O -14.09183 23.83800 43.28504 Si -22.52333 25.15267 43.64261 O -11.91900 27.37437 44.13963 O -11.91900 26.01083 43.28504 Si -22.52333 34.44233 43.64261 O -20.30163 23.83800 44.13963 O -21.66517 23.83800 43.28504 Si -17.87850 23.83800 38.28621 O -15.95239 25.15267 37.07167 O -16.30996 23.83800 37.92983 Si -11.91900 29.79750 38.28621 O -22.52333 27.87139 37.07167 O -11.91900 28.22896 37.92983 Si -19.80461 34.44233 37.07167 O -19.44704 23.83800 37.92983 Si -13.23367 31.72361 37.07167 O -11.91900 31.36604 37.92983 Si -17.87850 23.83800 45.14679 O -15.95239 34.44233 46.36133 O -16.30996 23.83800 45.50317 Si -11.91900 29.79750 45.14679 O -13.23367 27.87139 46.36133 O -11.91900 28.22896 45.50317 Si -19.80461 25.15267 46.36133 O -19.44704 23.83800 45.50317 Si -22.52333 31.72361 46.36133 O -11.91900 31.36604 45.50317 Si -14.44821 29.79750 35.75700 O -13.23367 27.87139 37.07167 O -15.45537 27.37437 35.75700 O -14.09183 28.22896 35.75700 Si -13.23367 31.72361 46.36133 O -15.45537 32.22063 35.75700 O -14.09183 31.36604 35.75700 Si -17.87850 26.36721 35.75700 O -15.95239 25.15267 46.36133 O -16.30996 26.01083 35.75700 Si -21.30879 29.79750 35.75700 O -22.52333 27.87139 46.36133 O -20.30163 27.37437 35.75700 O -21.66517 28.22896 35.75700 Si -17.87850 33.22779 35.75700 O -19.80461 34.44233 46.36133 O -20.30163 32.22063 35.75700 O -19.44704 33.58417 35.75700 Si -22.52333 31.72361 37.07167 O -21.66517 31.36604 35.75700 Si -15.95239 34.44233 37.07167 O -16.30996 33.58417 35.75700 Si -19.80461 25.15267 37.07167 O -19.44704 26.01083 35.75700 Si -11.91900 38.28621 5.95950 O -13.23367 37.07167 4.03339 O -11.91900 39.29337 3.53637 O -11.91900 37.92983 4.39096 Si -21.30879 35.75700 5.95950 O -22.52333 37.07167 4.03339 O -20.30163 35.75700 3.53637 O -21.66517 35.75700 4.39096 Si -11.91900 45.14679 5.95950 O -22.52333 46.36133 4.03339 O -11.91900 44.13963 3.53637 O -11.91900 45.50317 4.39096 Si -14.44821 35.75700 5.95950 O -13.23367 46.36133 4.03339 O -15.45537 35.75700 3.53637 O -14.09183 35.75700 4.39096 Si -13.23367 46.36133 7.88561 O -11.91900 44.13963 8.38263 O -11.91900 45.50317 7.52804 Si -13.23367 37.07167 7.88561 O -15.45537 35.75700 8.38263 O -14.09183 35.75700 7.52804 Si -22.52333 37.07167 7.88561 O -11.91900 39.29337 8.38263 O -11.91900 37.92983 7.52804 Si -22.52333 46.36133 7.88561 O -20.30163 35.75700 8.38263 O -21.66517 35.75700 7.52804 Si -17.87850 35.75700 2.52921 O -15.95239 37.07167 1.31467 O -16.30996 35.75700 2.17283 Si -11.91900 41.71650 2.52921 O -22.52333 39.79039 1.31467 O -11.91900 40.14796 2.17283 Si -19.80461 46.36133 1.31467 O -19.44704 35.75700 2.17283 Si -13.23367 43.64261 1.31467 O -11.91900 43.28504 2.17283 Si -17.87850 35.75700 9.38979 O -15.95239 46.36133 10.60433 O -16.30996 35.75700 9.74617 Si -11.91900 41.71650 9.38979 O -13.23367 39.79039 10.60433 O -11.91900 40.14796 9.74617 Si -19.80461 37.07167 10.60433 O -19.44704 35.75700 9.74617 Si -22.52333 43.64261 10.60433 O -11.91900 43.28504 9.74617 Si -14.44821 41.71650 0.00000 O -13.23367 39.79039 1.31467 O -15.45537 39.29337 0.00000 O -14.09183 40.14796 0.00000 Si -13.23367 43.64261 10.60433 O -15.45537 44.13963 0.00000 O -14.09183 43.28504 0.00000 Si -17.87850 38.28621 0.00000 O -15.95239 37.07167 10.60433 O -16.30996 37.92983 0.00000 Si -21.30879 41.71650 0.00000 O -22.52333 39.79039 10.60433 O -20.30163 39.29337 0.00000 O -21.66517 40.14796 0.00000 Si -17.87850 45.14679 0.00000 O -19.80461 46.36133 10.60433 O -20.30163 44.13963 0.00000 O -19.44704 45.50317 0.00000 Si -22.52333 43.64261 1.31467 O -21.66517 43.28504 0.00000 Si -15.95239 46.36133 1.31467 O -16.30996 45.50317 0.00000 Si -19.80461 37.07167 1.31467 O -19.44704 37.92983 0.00000 Si -11.91900 38.28621 17.87850 O -13.23367 37.07167 15.95239 O -11.91900 39.29337 15.45537 O -11.91900 37.92983 16.30996 Si -21.30879 35.75700 17.87850 O -22.52333 37.07167 15.95239 O -20.30163 35.75700 15.45537 O -21.66517 35.75700 16.30996 Si -11.91900 45.14679 17.87850 O -22.52333 46.36133 15.95239 O -11.91900 44.13963 15.45537 O -11.91900 45.50317 16.30996 Si -14.44821 35.75700 17.87850 O -13.23367 46.36133 15.95239 O -15.45537 35.75700 15.45537 O -14.09183 35.75700 16.30996 Si -13.23367 46.36133 19.80461 O -11.91900 44.13963 20.30163 O -11.91900 45.50317 19.44704 Si -13.23367 37.07167 19.80461 O -15.45537 35.75700 20.30163 O -14.09183 35.75700 19.44704 Si -22.52333 37.07167 19.80461 O -11.91900 39.29337 20.30163 O -11.91900 37.92983 19.44704 Si -22.52333 46.36133 19.80461 O -20.30163 35.75700 20.30163 O -21.66517 35.75700 19.44704 Si -17.87850 35.75700 14.44821 O -15.95239 37.07167 13.23367 O -16.30996 35.75700 14.09183 Si -11.91900 41.71650 14.44821 O -22.52333 39.79039 13.23367 O -11.91900 40.14796 14.09183 Si -19.80461 46.36133 13.23367 O -19.44704 35.75700 14.09183 Si -13.23367 43.64261 13.23367 O -11.91900 43.28504 14.09183 Si -17.87850 35.75700 21.30879 O -15.95239 46.36133 22.52333 O -16.30996 35.75700 21.66517 Si -11.91900 41.71650 21.30879 O -13.23367 39.79039 22.52333 O -11.91900 40.14796 21.66517 Si -19.80461 37.07167 22.52333 O -19.44704 35.75700 21.66517 Si -22.52333 43.64261 22.52333 O -11.91900 43.28504 21.66517 Si -14.44821 41.71650 11.91900 O -13.23367 39.79039 13.23367 O -15.45537 39.29337 11.91900 O -14.09183 40.14796 11.91900 Si -13.23367 43.64261 22.52333 O -15.45537 44.13963 11.91900 O -14.09183 43.28504 11.91900 Si -17.87850 38.28621 11.91900 O -15.95239 37.07167 22.52333 O -16.30996 37.92983 11.91900 Si -21.30879 41.71650 11.91900 O -22.52333 39.79039 22.52333 O -20.30163 39.29337 11.91900 O -21.66517 40.14796 11.91900 Si -17.87850 45.14679 11.91900 O -19.80461 46.36133 22.52333 O -20.30163 44.13963 11.91900 O -19.44704 45.50317 11.91900 Si -22.52333 43.64261 13.23367 O -21.66517 43.28504 11.91900 Si -15.95239 46.36133 13.23367 O -16.30996 45.50317 11.91900 Si -19.80461 37.07167 13.23367 O -19.44704 37.92983 11.91900 Si -11.91900 38.28621 29.79750 O -13.23367 37.07167 27.87139 O -11.91900 39.29337 27.37437 O -11.91900 37.92983 28.22896 Si -21.30879 35.75700 29.79750 O -22.52333 37.07167 27.87139 O -20.30163 35.75700 27.37437 O -21.66517 35.75700 28.22896 Si -11.91900 45.14679 29.79750 O -22.52333 46.36133 27.87139 O -11.91900 44.13963 27.37437 O -11.91900 45.50317 28.22896 Si -14.44821 35.75700 29.79750 O -13.23367 46.36133 27.87139 O -15.45537 35.75700 27.37437 O -14.09183 35.75700 28.22896 Si -13.23367 46.36133 31.72361 O -11.91900 44.13963 32.22063 O -11.91900 45.50317 31.36604 Si -13.23367 37.07167 31.72361 O -15.45537 35.75700 32.22063 O -14.09183 35.75700 31.36604 Si -22.52333 37.07167 31.72361 O -11.91900 39.29337 32.22063 O -11.91900 37.92983 31.36604 Si -22.52333 46.36133 31.72361 O -20.30163 35.75700 32.22063 O -21.66517 35.75700 31.36604 Si -17.87850 35.75700 26.36721 O -15.95239 37.07167 25.15267 O -16.30996 35.75700 26.01083 Si -11.91900 41.71650 26.36721 O -22.52333 39.79039 25.15267 O -11.91900 40.14796 26.01083 Si -19.80461 46.36133 25.15267 O -19.44704 35.75700 26.01083 Si -13.23367 43.64261 25.15267 O -11.91900 43.28504 26.01083 Si -17.87850 35.75700 33.22779 O -15.95239 46.36133 34.44233 O -16.30996 35.75700 33.58417 Si -11.91900 41.71650 33.22779 O -13.23367 39.79039 34.44233 O -11.91900 40.14796 33.58417 Si -19.80461 37.07167 34.44233 O -19.44704 35.75700 33.58417 Si -22.52333 43.64261 34.44233 O -11.91900 43.28504 33.58417 Si -14.44821 41.71650 23.83800 O -13.23367 39.79039 25.15267 O -15.45537 39.29337 23.83800 O -14.09183 40.14796 23.83800 Si -13.23367 43.64261 34.44233 O -15.45537 44.13963 23.83800 O -14.09183 43.28504 23.83800 Si -17.87850 38.28621 23.83800 O -15.95239 37.07167 34.44233 O -16.30996 37.92983 23.83800 Si -21.30879 41.71650 23.83800 O -22.52333 39.79039 34.44233 O -20.30163 39.29337 23.83800 O -21.66517 40.14796 23.83800 Si -17.87850 45.14679 23.83800 O -19.80461 46.36133 34.44233 O -20.30163 44.13963 23.83800 O -19.44704 45.50317 23.83800 Si -22.52333 43.64261 25.15267 O -21.66517 43.28504 23.83800 Si -15.95239 46.36133 25.15267 O -16.30996 45.50317 23.83800 Si -19.80461 37.07167 25.15267 O -19.44704 37.92983 23.83800 Si -11.91900 38.28621 41.71650 O -13.23367 37.07167 39.79039 O -11.91900 39.29337 39.29337 O -11.91900 37.92983 40.14796 Si -21.30879 35.75700 41.71650 O -22.52333 37.07167 39.79039 O -20.30163 35.75700 39.29337 O -21.66517 35.75700 40.14796 Si -11.91900 45.14679 41.71650 O -22.52333 46.36133 39.79039 O -11.91900 44.13963 39.29337 O -11.91900 45.50317 40.14796 Si -14.44821 35.75700 41.71650 O -13.23367 46.36133 39.79039 O -15.45537 35.75700 39.29337 O -14.09183 35.75700 40.14796 Si -13.23367 46.36133 43.64261 O -11.91900 44.13963 44.13963 O -11.91900 45.50317 43.28504 Si -13.23367 37.07167 43.64261 O -15.45537 35.75700 44.13963 O -14.09183 35.75700 43.28504 Si -22.52333 37.07167 43.64261 O -11.91900 39.29337 44.13963 O -11.91900 37.92983 43.28504 Si -22.52333 46.36133 43.64261 O -20.30163 35.75700 44.13963 O -21.66517 35.75700 43.28504 Si -17.87850 35.75700 38.28621 O -15.95239 37.07167 37.07167 O -16.30996 35.75700 37.92983 Si -11.91900 41.71650 38.28621 O -22.52333 39.79039 37.07167 O -11.91900 40.14796 37.92983 Si -19.80461 46.36133 37.07167 O -19.44704 35.75700 37.92983 Si -13.23367 43.64261 37.07167 O -11.91900 43.28504 37.92983 Si -17.87850 35.75700 45.14679 O -15.95239 46.36133 46.36133 O -16.30996 35.75700 45.50317 Si -11.91900 41.71650 45.14679 O -13.23367 39.79039 46.36133 O -11.91900 40.14796 45.50317 Si -19.80461 37.07167 46.36133 O -19.44704 35.75700 45.50317 Si -22.52333 43.64261 46.36133 O -11.91900 43.28504 45.50317 Si -14.44821 41.71650 35.75700 O -13.23367 39.79039 37.07167 O -15.45537 39.29337 35.75700 O -14.09183 40.14796 35.75700 Si -13.23367 43.64261 46.36133 O -15.45537 44.13963 35.75700 O -14.09183 43.28504 35.75700 Si -17.87850 38.28621 35.75700 O -15.95239 37.07167 46.36133 O -16.30996 37.92983 35.75700 Si -21.30879 41.71650 35.75700 O -22.52333 39.79039 46.36133 O -20.30163 39.29337 35.75700 O -21.66517 40.14796 35.75700 Si -17.87850 45.14679 35.75700 O -19.80461 46.36133 46.36133 O -20.30163 44.13963 35.75700 O -19.44704 45.50317 35.75700 Si -22.52333 43.64261 37.07167 O -21.66517 43.28504 35.75700 Si -15.95239 46.36133 37.07167 O -16.30996 45.50317 35.75700 Si -19.80461 37.07167 37.07167 O -19.44704 37.92983 35.75700 Si -23.83800 2.52921 5.95950 O -25.15267 1.31467 4.03339 O -23.83800 3.53637 3.53637 O -23.83800 2.17283 4.39096 Si -33.22779 0.00000 5.95950 O -34.44233 1.31467 4.03339 O -32.22063 0.00000 3.53637 O -33.58417 0.00000 4.39096 Si -23.83800 9.38979 5.95950 O -34.44233 10.60433 4.03339 O -23.83800 8.38263 3.53637 O -23.83800 9.74617 4.39096 Si -26.36721 0.00000 5.95950 O -25.15267 10.60433 4.03339 O -27.37437 0.00000 3.53637 O -26.01083 0.00000 4.39096 Si -25.15267 10.60433 7.88561 O -23.83800 8.38263 8.38263 O -23.83800 9.74617 7.52804 Si -25.15267 1.31467 7.88561 O -27.37437 0.00000 8.38263 O -26.01083 0.00000 7.52804 Si -34.44233 1.31467 7.88561 O -23.83800 3.53637 8.38263 O -23.83800 2.17283 7.52804 Si -34.44233 10.60433 7.88561 O -32.22063 0.00000 8.38263 O -33.58417 0.00000 7.52804 Si -29.79750 0.00000 2.52921 O -27.87139 1.31467 1.31467 O -28.22896 0.00000 2.17283 Si -23.83800 5.95950 2.52921 O -34.44233 4.03339 1.31467 O -23.83800 4.39096 2.17283 Si -31.72361 10.60433 1.31467 O -31.36604 0.00000 2.17283 Si -25.15267 7.88561 1.31467 O -23.83800 7.52804 2.17283 Si -29.79750 0.00000 9.38979 O -27.87139 10.60433 10.60433 O -28.22896 0.00000 9.74617 Si -23.83800 5.95950 9.38979 O -25.15267 4.03339 10.60433 O -23.83800 4.39096 9.74617 Si -31.72361 1.31467 10.60433 O -31.36604 0.00000 9.74617 Si -34.44233 7.88561 10.60433 O -23.83800 7.52804 9.74617 Si -26.36721 5.95950 0.00000 O -25.15267 4.03339 1.31467 O -27.37437 3.53637 0.00000 O -26.01083 4.39096 0.00000 Si -25.15267 7.88561 10.60433 O -27.37437 8.38263 0.00000 O -26.01083 7.52804 0.00000 Si -29.79750 2.52921 0.00000 O -27.87139 1.31467 10.60433 O -28.22896 2.17283 0.00000 Si -33.22779 5.95950 0.00000 O -34.44233 4.03339 10.60433 O -32.22063 3.53637 0.00000 O -33.58417 4.39096 0.00000 Si -29.79750 9.38979 0.00000 O -31.72361 10.60433 10.60433 O -32.22063 8.38263 0.00000 O -31.36604 9.74617 0.00000 Si -34.44233 7.88561 1.31467 O -33.58417 7.52804 0.00000 Si -27.87139 10.60433 1.31467 O -28.22896 9.74617 0.00000 Si -31.72361 1.31467 1.31467 O -31.36604 2.17283 0.00000 Si -23.83800 2.52921 17.87850 O -25.15267 1.31467 15.95239 O -23.83800 3.53637 15.45537 O -23.83800 2.17283 16.30996 Si -33.22779 0.00000 17.87850 O -34.44233 1.31467 15.95239 O -32.22063 0.00000 15.45537 O -33.58417 0.00000 16.30996 Si -23.83800 9.38979 17.87850 O -34.44233 10.60433 15.95239 O -23.83800 8.38263 15.45537 O -23.83800 9.74617 16.30996 Si -26.36721 0.00000 17.87850 O -25.15267 10.60433 15.95239 O -27.37437 0.00000 15.45537 O -26.01083 0.00000 16.30996 Si -25.15267 10.60433 19.80461 O -23.83800 8.38263 20.30163 O -23.83800 9.74617 19.44704 Si -25.15267 1.31467 19.80461 O -27.37437 0.00000 20.30163 O -26.01083 0.00000 19.44704 Si -34.44233 1.31467 19.80461 O -23.83800 3.53637 20.30163 O -23.83800 2.17283 19.44704 Si -34.44233 10.60433 19.80461 O -32.22063 0.00000 20.30163 O -33.58417 0.00000 19.44704 Si -29.79750 0.00000 14.44821 O -27.87139 1.31467 13.23367 O -28.22896 0.00000 14.09183 Si -23.83800 5.95950 14.44821 O -34.44233 4.03339 13.23367 O -23.83800 4.39096 14.09183 Si -31.72361 10.60433 13.23367 O -31.36604 0.00000 14.09183 Si -25.15267 7.88561 13.23367 O -23.83800 7.52804 14.09183 Si -29.79750 0.00000 21.30879 O -27.87139 10.60433 22.52333 O -28.22896 0.00000 21.66517 Si -23.83800 5.95950 21.30879 O -25.15267 4.03339 22.52333 O -23.83800 4.39096 21.66517 Si -31.72361 1.31467 22.52333 O -31.36604 0.00000 21.66517 Si -34.44233 7.88561 22.52333 O -23.83800 7.52804 21.66517 Si -26.36721 5.95950 11.91900 O -25.15267 4.03339 13.23367 O -27.37437 3.53637 11.91900 O -26.01083 4.39096 11.91900 Si -25.15267 7.88561 22.52333 O -27.37437 8.38263 11.91900 O -26.01083 7.52804 11.91900 Si -29.79750 2.52921 11.91900 O -27.87139 1.31467 22.52333 O -28.22896 2.17283 11.91900 Si -33.22779 5.95950 11.91900 O -34.44233 4.03339 22.52333 O -32.22063 3.53637 11.91900 O -33.58417 4.39096 11.91900 Si -29.79750 9.38979 11.91900 O -31.72361 10.60433 22.52333 O -32.22063 8.38263 11.91900 O -31.36604 9.74617 11.91900 Si -34.44233 7.88561 13.23367 O -33.58417 7.52804 11.91900 Si -27.87139 10.60433 13.23367 O -28.22896 9.74617 11.91900 Si -31.72361 1.31467 13.23367 O -31.36604 2.17283 11.91900 Si -23.83800 2.52921 29.79750 O -25.15267 1.31467 27.87139 O -23.83800 3.53637 27.37437 O -23.83800 2.17283 28.22896 Si -33.22779 0.00000 29.79750 O -34.44233 1.31467 27.87139 O -32.22063 0.00000 27.37437 O -33.58417 0.00000 28.22896 Si -23.83800 9.38979 29.79750 O -34.44233 10.60433 27.87139 O -23.83800 8.38263 27.37437 O -23.83800 9.74617 28.22896 Si -26.36721 0.00000 29.79750 O -25.15267 10.60433 27.87139 O -27.37437 0.00000 27.37437 O -26.01083 0.00000 28.22896 Si -25.15267 10.60433 31.72361 O -23.83800 8.38263 32.22063 O -23.83800 9.74617 31.36604 Si -25.15267 1.31467 31.72361 O -27.37437 0.00000 32.22063 O -26.01083 0.00000 31.36604 Si -34.44233 1.31467 31.72361 O -23.83800 3.53637 32.22063 O -23.83800 2.17283 31.36604 Si -34.44233 10.60433 31.72361 O -32.22063 0.00000 32.22063 O -33.58417 0.00000 31.36604 Si -29.79750 0.00000 26.36721 O -27.87139 1.31467 25.15267 O -28.22896 0.00000 26.01083 Si -23.83800 5.95950 26.36721 O -34.44233 4.03339 25.15267 O -23.83800 4.39096 26.01083 Si -31.72361 10.60433 25.15267 O -31.36604 0.00000 26.01083 Si -25.15267 7.88561 25.15267 O -23.83800 7.52804 26.01083 Si -29.79750 0.00000 33.22779 O -27.87139 10.60433 34.44233 O -28.22896 0.00000 33.58417 Si -23.83800 5.95950 33.22779 O -25.15267 4.03339 34.44233 O -23.83800 4.39096 33.58417 Si -31.72361 1.31467 34.44233 O -31.36604 0.00000 33.58417 Si -34.44233 7.88561 34.44233 O -23.83800 7.52804 33.58417 Si -26.36721 5.95950 23.83800 O -25.15267 4.03339 25.15267 O -27.37437 3.53637 23.83800 O -26.01083 4.39096 23.83800 Si -25.15267 7.88561 34.44233 O -27.37437 8.38263 23.83800 O -26.01083 7.52804 23.83800 Si -29.79750 2.52921 23.83800 O -27.87139 1.31467 34.44233 O -28.22896 2.17283 23.83800 Si -33.22779 5.95950 23.83800 O -34.44233 4.03339 34.44233 O -32.22063 3.53637 23.83800 O -33.58417 4.39096 23.83800 Si -29.79750 9.38979 23.83800 O -31.72361 10.60433 34.44233 O -32.22063 8.38263 23.83800 O -31.36604 9.74617 23.83800 Si -34.44233 7.88561 25.15267 O -33.58417 7.52804 23.83800 Si -27.87139 10.60433 25.15267 O -28.22896 9.74617 23.83800 Si -31.72361 1.31467 25.15267 O -31.36604 2.17283 23.83800 Si -23.83800 2.52921 41.71650 O -25.15267 1.31467 39.79039 O -23.83800 3.53637 39.29337 O -23.83800 2.17283 40.14796 Si -33.22779 0.00000 41.71650 O -34.44233 1.31467 39.79039 O -32.22063 0.00000 39.29337 O -33.58417 0.00000 40.14796 Si -23.83800 9.38979 41.71650 O -34.44233 10.60433 39.79039 O -23.83800 8.38263 39.29337 O -23.83800 9.74617 40.14796 Si -26.36721 0.00000 41.71650 O -25.15267 10.60433 39.79039 O -27.37437 0.00000 39.29337 O -26.01083 0.00000 40.14796 Si -25.15267 10.60433 43.64261 O -23.83800 8.38263 44.13963 O -23.83800 9.74617 43.28504 Si -25.15267 1.31467 43.64261 O -27.37437 0.00000 44.13963 O -26.01083 0.00000 43.28504 Si -34.44233 1.31467 43.64261 O -23.83800 3.53637 44.13963 O -23.83800 2.17283 43.28504 Si -34.44233 10.60433 43.64261 O -32.22063 0.00000 44.13963 O -33.58417 0.00000 43.28504 Si -29.79750 0.00000 38.28621 O -27.87139 1.31467 37.07167 O -28.22896 0.00000 37.92983 Si -23.83800 5.95950 38.28621 O -34.44233 4.03339 37.07167 O -23.83800 4.39096 37.92983 Si -31.72361 10.60433 37.07167 O -31.36604 0.00000 37.92983 Si -25.15267 7.88561 37.07167 O -23.83800 7.52804 37.92983 Si -29.79750 0.00000 45.14679 O -27.87139 10.60433 46.36133 O -28.22896 0.00000 45.50317 Si -23.83800 5.95950 45.14679 O -25.15267 4.03339 46.36133 O -23.83800 4.39096 45.50317 Si -31.72361 1.31467 46.36133 O -31.36604 0.00000 45.50317 Si -34.44233 7.88561 46.36133 O -23.83800 7.52804 45.50317 Si -26.36721 5.95950 35.75700 O -25.15267 4.03339 37.07167 O -27.37437 3.53637 35.75700 O -26.01083 4.39096 35.75700 Si -25.15267 7.88561 46.36133 O -27.37437 8.38263 35.75700 O -26.01083 7.52804 35.75700 Si -29.79750 2.52921 35.75700 O -27.87139 1.31467 46.36133 O -28.22896 2.17283 35.75700 Si -33.22779 5.95950 35.75700 O -34.44233 4.03339 46.36133 O -32.22063 3.53637 35.75700 O -33.58417 4.39096 35.75700 Si -29.79750 9.38979 35.75700 O -31.72361 10.60433 46.36133 O -32.22063 8.38263 35.75700 O -31.36604 9.74617 35.75700 Si -34.44233 7.88561 37.07167 O -33.58417 7.52804 35.75700 Si -27.87139 10.60433 37.07167 O -28.22896 9.74617 35.75700 Si -31.72361 1.31467 37.07167 O -31.36604 2.17283 35.75700 Si -23.83800 14.44821 5.95950 O -25.15267 13.23367 4.03339 O -23.83800 15.45537 3.53637 O -23.83800 14.09183 4.39096 Si -33.22779 11.91900 5.95950 O -34.44233 13.23367 4.03339 O -32.22063 11.91900 3.53637 O -33.58417 11.91900 4.39096 Si -23.83800 21.30879 5.95950 O -34.44233 22.52333 4.03339 O -23.83800 20.30163 3.53637 O -23.83800 21.66517 4.39096 Si -26.36721 11.91900 5.95950 O -25.15267 22.52333 4.03339 O -27.37437 11.91900 3.53637 O -26.01083 11.91900 4.39096 Si -25.15267 22.52333 7.88561 O -23.83800 20.30163 8.38263 O -23.83800 21.66517 7.52804 Si -25.15267 13.23367 7.88561 O -27.37437 11.91900 8.38263 O -26.01083 11.91900 7.52804 Si -34.44233 13.23367 7.88561 O -23.83800 15.45537 8.38263 O -23.83800 14.09183 7.52804 Si -34.44233 22.52333 7.88561 O -32.22063 11.91900 8.38263 O -33.58417 11.91900 7.52804 Si -29.79750 11.91900 2.52921 O -27.87139 13.23367 1.31467 O -28.22896 11.91900 2.17283 Si -23.83800 17.87850 2.52921 O -34.44233 15.95239 1.31467 O -23.83800 16.30996 2.17283 Si -31.72361 22.52333 1.31467 O -31.36604 11.91900 2.17283 Si -25.15267 19.80461 1.31467 O -23.83800 19.44704 2.17283 Si -29.79750 11.91900 9.38979 O -27.87139 22.52333 10.60433 O -28.22896 11.91900 9.74617 Si -23.83800 17.87850 9.38979 O -25.15267 15.95239 10.60433 O -23.83800 16.30996 9.74617 Si -31.72361 13.23367 10.60433 O -31.36604 11.91900 9.74617 Si -34.44233 19.80461 10.60433 O -23.83800 19.44704 9.74617 Si -26.36721 17.87850 0.00000 O -25.15267 15.95239 1.31467 O -27.37437 15.45537 0.00000 O -26.01083 16.30996 0.00000 Si -25.15267 19.80461 10.60433 O -27.37437 20.30163 0.00000 O -26.01083 19.44704 0.00000 Si -29.79750 14.44821 0.00000 O -27.87139 13.23367 10.60433 O -28.22896 14.09183 0.00000 Si -33.22779 17.87850 0.00000 O -34.44233 15.95239 10.60433 O -32.22063 15.45537 0.00000 O -33.58417 16.30996 0.00000 Si -29.79750 21.30879 0.00000 O -31.72361 22.52333 10.60433 O -32.22063 20.30163 0.00000 O -31.36604 21.66517 0.00000 Si -34.44233 19.80461 1.31467 O -33.58417 19.44704 0.00000 Si -27.87139 22.52333 1.31467 O -28.22896 21.66517 0.00000 Si -31.72361 13.23367 1.31467 O -31.36604 14.09183 0.00000 Si -23.83800 14.44821 17.87850 O -25.15267 13.23367 15.95239 O -23.83800 15.45537 15.45537 O -23.83800 14.09183 16.30996 Si -33.22779 11.91900 17.87850 O -34.44233 13.23367 15.95239 O -32.22063 11.91900 15.45537 O -33.58417 11.91900 16.30996 Si -23.83800 21.30879 17.87850 O -34.44233 22.52333 15.95239 O -23.83800 20.30163 15.45537 O -23.83800 21.66517 16.30996 Si -26.36721 11.91900 17.87850 O -25.15267 22.52333 15.95239 O -27.37437 11.91900 15.45537 O -26.01083 11.91900 16.30996 Si -25.15267 22.52333 19.80461 O -23.83800 20.30163 20.30163 O -23.83800 21.66517 19.44704 Si -25.15267 13.23367 19.80461 O -27.37437 11.91900 20.30163 O -26.01083 11.91900 19.44704 Si -34.44233 13.23367 19.80461 O -23.83800 15.45537 20.30163 O -23.83800 14.09183 19.44704 Si -34.44233 22.52333 19.80461 O -32.22063 11.91900 20.30163 O -33.58417 11.91900 19.44704 Si -29.79750 11.91900 14.44821 O -27.87139 13.23367 13.23367 O -28.22896 11.91900 14.09183 Si -23.83800 17.87850 14.44821 O -34.44233 15.95239 13.23367 O -23.83800 16.30996 14.09183 Si -31.72361 22.52333 13.23367 O -31.36604 11.91900 14.09183 Si -25.15267 19.80461 13.23367 O -23.83800 19.44704 14.09183 Si -29.79750 11.91900 21.30879 O -27.87139 22.52333 22.52333 O -28.22896 11.91900 21.66517 Si -23.83800 17.87850 21.30879 O -25.15267 15.95239 22.52333 O -23.83800 16.30996 21.66517 Si -31.72361 13.23367 22.52333 O -31.36604 11.91900 21.66517 Si -34.44233 19.80461 22.52333 O -23.83800 19.44704 21.66517 Si -26.36721 17.87850 11.91900 O -25.15267 15.95239 13.23367 O -27.37437 15.45537 11.91900 O -26.01083 16.30996 11.91900 Si -25.15267 19.80461 22.52333 O -27.37437 20.30163 11.91900 O -26.01083 19.44704 11.91900 Si -29.79750 14.44821 11.91900 O -27.87139 13.23367 22.52333 O -28.22896 14.09183 11.91900 Si -33.22779 17.87850 11.91900 O -34.44233 15.95239 22.52333 O -32.22063 15.45537 11.91900 O -33.58417 16.30996 11.91900 Si -29.79750 21.30879 11.91900 O -31.72361 22.52333 22.52333 O -32.22063 20.30163 11.91900 O -31.36604 21.66517 11.91900 Si -34.44233 19.80461 13.23367 O -33.58417 19.44704 11.91900 Si -27.87139 22.52333 13.23367 O -28.22896 21.66517 11.91900 Si -31.72361 13.23367 13.23367 O -31.36604 14.09183 11.91900 Si -23.83800 14.44821 29.79750 O -25.15267 13.23367 27.87139 O -23.83800 15.45537 27.37437 O -23.83800 14.09183 28.22896 Si -33.22779 11.91900 29.79750 O -34.44233 13.23367 27.87139 O -32.22063 11.91900 27.37437 O -33.58417 11.91900 28.22896 Si -23.83800 21.30879 29.79750 O -34.44233 22.52333 27.87139 O -23.83800 20.30163 27.37437 O -23.83800 21.66517 28.22896 Si -26.36721 11.91900 29.79750 O -25.15267 22.52333 27.87139 O -27.37437 11.91900 27.37437 O -26.01083 11.91900 28.22896 Si -25.15267 22.52333 31.72361 O -23.83800 20.30163 32.22063 O -23.83800 21.66517 31.36604 Si -25.15267 13.23367 31.72361 O -27.37437 11.91900 32.22063 O -26.01083 11.91900 31.36604 Si -34.44233 13.23367 31.72361 O -23.83800 15.45537 32.22063 O -23.83800 14.09183 31.36604 Si -34.44233 22.52333 31.72361 O -32.22063 11.91900 32.22063 O -33.58417 11.91900 31.36604 Si -29.79750 11.91900 26.36721 O -27.87139 13.23367 25.15267 O -28.22896 11.91900 26.01083 Si -23.83800 17.87850 26.36721 O -34.44233 15.95239 25.15267 O -23.83800 16.30996 26.01083 Si -31.72361 22.52333 25.15267 O -31.36604 11.91900 26.01083 Si -25.15267 19.80461 25.15267 O -23.83800 19.44704 26.01083 Si -29.79750 11.91900 33.22779 O -27.87139 22.52333 34.44233 O -28.22896 11.91900 33.58417 Si -23.83800 17.87850 33.22779 O -25.15267 15.95239 34.44233 O -23.83800 16.30996 33.58417 Si -31.72361 13.23367 34.44233 O -31.36604 11.91900 33.58417 Si -34.44233 19.80461 34.44233 O -23.83800 19.44704 33.58417 Si -26.36721 17.87850 23.83800 O -25.15267 15.95239 25.15267 O -27.37437 15.45537 23.83800 O -26.01083 16.30996 23.83800 Si -25.15267 19.80461 34.44233 O -27.37437 20.30163 23.83800 O -26.01083 19.44704 23.83800 Si -29.79750 14.44821 23.83800 O -27.87139 13.23367 34.44233 O -28.22896 14.09183 23.83800 Si -33.22779 17.87850 23.83800 O -34.44233 15.95239 34.44233 O -32.22063 15.45537 23.83800 O -33.58417 16.30996 23.83800 Si -29.79750 21.30879 23.83800 O -31.72361 22.52333 34.44233 O -32.22063 20.30163 23.83800 O -31.36604 21.66517 23.83800 Si -34.44233 19.80461 25.15267 O -33.58417 19.44704 23.83800 Si -27.87139 22.52333 25.15267 O -28.22896 21.66517 23.83800 Si -31.72361 13.23367 25.15267 O -31.36604 14.09183 23.83800 Si -23.83800 14.44821 41.71650 O -25.15267 13.23367 39.79039 O -23.83800 15.45537 39.29337 O -23.83800 14.09183 40.14796 Si -33.22779 11.91900 41.71650 O -34.44233 13.23367 39.79039 O -32.22063 11.91900 39.29337 O -33.58417 11.91900 40.14796 Si -23.83800 21.30879 41.71650 O -34.44233 22.52333 39.79039 O -23.83800 20.30163 39.29337 O -23.83800 21.66517 40.14796 Si -26.36721 11.91900 41.71650 O -25.15267 22.52333 39.79039 O -27.37437 11.91900 39.29337 O -26.01083 11.91900 40.14796 Si -25.15267 22.52333 43.64261 O -23.83800 20.30163 44.13963 O -23.83800 21.66517 43.28504 Si -25.15267 13.23367 43.64261 O -27.37437 11.91900 44.13963 O -26.01083 11.91900 43.28504 Si -34.44233 13.23367 43.64261 O -23.83800 15.45537 44.13963 O -23.83800 14.09183 43.28504 Si -34.44233 22.52333 43.64261 O -32.22063 11.91900 44.13963 O -33.58417 11.91900 43.28504 Si -29.79750 11.91900 38.28621 O -27.87139 13.23367 37.07167 O -28.22896 11.91900 37.92983 Si -23.83800 17.87850 38.28621 O -34.44233 15.95239 37.07167 O -23.83800 16.30996 37.92983 Si -31.72361 22.52333 37.07167 O -31.36604 11.91900 37.92983 Si -25.15267 19.80461 37.07167 O -23.83800 19.44704 37.92983 Si -29.79750 11.91900 45.14679 O -27.87139 22.52333 46.36133 O -28.22896 11.91900 45.50317 Si -23.83800 17.87850 45.14679 O -25.15267 15.95239 46.36133 O -23.83800 16.30996 45.50317 Si -31.72361 13.23367 46.36133 O -31.36604 11.91900 45.50317 Si -34.44233 19.80461 46.36133 O -23.83800 19.44704 45.50317 Si -26.36721 17.87850 35.75700 O -25.15267 15.95239 37.07167 O -27.37437 15.45537 35.75700 O -26.01083 16.30996 35.75700 Si -25.15267 19.80461 46.36133 O -27.37437 20.30163 35.75700 O -26.01083 19.44704 35.75700 Si -29.79750 14.44821 35.75700 O -27.87139 13.23367 46.36133 O -28.22896 14.09183 35.75700 Si -33.22779 17.87850 35.75700 O -34.44233 15.95239 46.36133 O -32.22063 15.45537 35.75700 O -33.58417 16.30996 35.75700 Si -29.79750 21.30879 35.75700 O -31.72361 22.52333 46.36133 O -32.22063 20.30163 35.75700 O -31.36604 21.66517 35.75700 Si -34.44233 19.80461 37.07167 O -33.58417 19.44704 35.75700 Si -27.87139 22.52333 37.07167 O -28.22896 21.66517 35.75700 Si -31.72361 13.23367 37.07167 O -31.36604 14.09183 35.75700 Si -23.83800 26.36721 5.95950 O -25.15267 25.15267 4.03339 O -23.83800 27.37437 3.53637 O -23.83800 26.01083 4.39096 Si -33.22779 23.83800 5.95950 O -34.44233 25.15267 4.03339 O -32.22063 23.83800 3.53637 O -33.58417 23.83800 4.39096 Si -23.83800 33.22779 5.95950 O -34.44233 34.44233 4.03339 O -23.83800 32.22063 3.53637 O -23.83800 33.58417 4.39096 Si -26.36721 23.83800 5.95950 O -25.15267 34.44233 4.03339 O -27.37437 23.83800 3.53637 O -26.01083 23.83800 4.39096 Si -25.15267 34.44233 7.88561 O -23.83800 32.22063 8.38263 O -23.83800 33.58417 7.52804 Si -25.15267 25.15267 7.88561 O -27.37437 23.83800 8.38263 O -26.01083 23.83800 7.52804 Si -34.44233 25.15267 7.88561 O -23.83800 27.37437 8.38263 O -23.83800 26.01083 7.52804 Si -34.44233 34.44233 7.88561 O -32.22063 23.83800 8.38263 O -33.58417 23.83800 7.52804 Si -29.79750 23.83800 2.52921 O -27.87139 25.15267 1.31467 O -28.22896 23.83800 2.17283 Si -23.83800 29.79750 2.52921 O -34.44233 27.87139 1.31467 O -23.83800 28.22896 2.17283 Si -31.72361 34.44233 1.31467 O -31.36604 23.83800 2.17283 Si -25.15267 31.72361 1.31467 O -23.83800 31.36604 2.17283 Si -29.79750 23.83800 9.38979 O -27.87139 34.44233 10.60433 O -28.22896 23.83800 9.74617 Si -23.83800 29.79750 9.38979 O -25.15267 27.87139 10.60433 O -23.83800 28.22896 9.74617 Si -31.72361 25.15267 10.60433 O -31.36604 23.83800 9.74617 Si -34.44233 31.72361 10.60433 O -23.83800 31.36604 9.74617 Si -26.36721 29.79750 0.00000 O -25.15267 27.87139 1.31467 O -27.37437 27.37437 0.00000 O -26.01083 28.22896 0.00000 Si -25.15267 31.72361 10.60433 O -27.37437 32.22063 0.00000 O -26.01083 31.36604 0.00000 Si -29.79750 26.36721 0.00000 O -27.87139 25.15267 10.60433 O -28.22896 26.01083 0.00000 Si -33.22779 29.79750 0.00000 O -34.44233 27.87139 10.60433 O -32.22063 27.37437 0.00000 O -33.58417 28.22896 0.00000 Si -29.79750 33.22779 0.00000 O -31.72361 34.44233 10.60433 O -32.22063 32.22063 0.00000 O -31.36604 33.58417 0.00000 Si -34.44233 31.72361 1.31467 O -33.58417 31.36604 0.00000 Si -27.87139 34.44233 1.31467 O -28.22896 33.58417 0.00000 Si -31.72361 25.15267 1.31467 O -31.36604 26.01083 0.00000 Si -23.83800 26.36721 17.87850 O -25.15267 25.15267 15.95239 O -23.83800 27.37437 15.45537 O -23.83800 26.01083 16.30996 Si -33.22779 23.83800 17.87850 O -34.44233 25.15267 15.95239 O -32.22063 23.83800 15.45537 O -33.58417 23.83800 16.30996 Si -23.83800 33.22779 17.87850 O -34.44233 34.44233 15.95239 O -23.83800 32.22063 15.45537 O -23.83800 33.58417 16.30996 Si -26.36721 23.83800 17.87850 O -25.15267 34.44233 15.95239 O -27.37437 23.83800 15.45537 O -26.01083 23.83800 16.30996 Si -25.15267 34.44233 19.80461 O -23.83800 32.22063 20.30163 O -23.83800 33.58417 19.44704 Si -25.15267 25.15267 19.80461 O -27.37437 23.83800 20.30163 O -26.01083 23.83800 19.44704 Si -34.44233 25.15267 19.80461 O -23.83800 27.37437 20.30163 O -23.83800 26.01083 19.44704 Si -34.44233 34.44233 19.80461 O -32.22063 23.83800 20.30163 O -33.58417 23.83800 19.44704 Si -29.79750 23.83800 14.44821 O -27.87139 25.15267 13.23367 O -28.22896 23.83800 14.09183 Si -23.83800 29.79750 14.44821 O -34.44233 27.87139 13.23367 O -23.83800 28.22896 14.09183 Si -31.72361 34.44233 13.23367 O -31.36604 23.83800 14.09183 Si -25.15267 31.72361 13.23367 O -23.83800 31.36604 14.09183 Si -29.79750 23.83800 21.30879 O -27.87139 34.44233 22.52333 O -28.22896 23.83800 21.66517 Si -23.83800 29.79750 21.30879 O -25.15267 27.87139 22.52333 O -23.83800 28.22896 21.66517 Si -31.72361 25.15267 22.52333 O -31.36604 23.83800 21.66517 Si -34.44233 31.72361 22.52333 O -23.83800 31.36604 21.66517 Si -26.36721 29.79750 11.91900 O -25.15267 27.87139 13.23367 O -27.37437 27.37437 11.91900 O -26.01083 28.22896 11.91900 Si -25.15267 31.72361 22.52333 O -27.37437 32.22063 11.91900 O -26.01083 31.36604 11.91900 Si -29.79750 26.36721 11.91900 O -27.87139 25.15267 22.52333 O -28.22896 26.01083 11.91900 Si -33.22779 29.79750 11.91900 O -34.44233 27.87139 22.52333 O -32.22063 27.37437 11.91900 O -33.58417 28.22896 11.91900 Si -29.79750 33.22779 11.91900 O -31.72361 34.44233 22.52333 O -32.22063 32.22063 11.91900 O -31.36604 33.58417 11.91900 Si -34.44233 31.72361 13.23367 O -33.58417 31.36604 11.91900 Si -27.87139 34.44233 13.23367 O -28.22896 33.58417 11.91900 Si -31.72361 25.15267 13.23367 O -31.36604 26.01083 11.91900 Si -23.83800 26.36721 29.79750 O -25.15267 25.15267 27.87139 O -23.83800 27.37437 27.37437 O -23.83800 26.01083 28.22896 Si -33.22779 23.83800 29.79750 O -34.44233 25.15267 27.87139 O -32.22063 23.83800 27.37437 O -33.58417 23.83800 28.22896 Si -23.83800 33.22779 29.79750 O -34.44233 34.44233 27.87139 O -23.83800 32.22063 27.37437 O -23.83800 33.58417 28.22896 Si -26.36721 23.83800 29.79750 O -25.15267 34.44233 27.87139 O -27.37437 23.83800 27.37437 O -26.01083 23.83800 28.22896 Si -25.15267 34.44233 31.72361 O -23.83800 32.22063 32.22063 O -23.83800 33.58417 31.36604 Si -25.15267 25.15267 31.72361 O -27.37437 23.83800 32.22063 O -26.01083 23.83800 31.36604 Si -34.44233 25.15267 31.72361 O -23.83800 27.37437 32.22063 O -23.83800 26.01083 31.36604 Si -34.44233 34.44233 31.72361 O -32.22063 23.83800 32.22063 O -33.58417 23.83800 31.36604 Si -29.79750 23.83800 26.36721 O -27.87139 25.15267 25.15267 O -28.22896 23.83800 26.01083 Si -23.83800 29.79750 26.36721 O -34.44233 27.87139 25.15267 O -23.83800 28.22896 26.01083 Si -31.72361 34.44233 25.15267 O -31.36604 23.83800 26.01083 Si -25.15267 31.72361 25.15267 O -23.83800 31.36604 26.01083 Si -29.79750 23.83800 33.22779 O -27.87139 34.44233 34.44233 O -28.22896 23.83800 33.58417 Si -23.83800 29.79750 33.22779 O -25.15267 27.87139 34.44233 O -23.83800 28.22896 33.58417 Si -31.72361 25.15267 34.44233 O -31.36604 23.83800 33.58417 Si -34.44233 31.72361 34.44233 O -23.83800 31.36604 33.58417 Si -26.36721 29.79750 23.83800 O -25.15267 27.87139 25.15267 O -27.37437 27.37437 23.83800 O -26.01083 28.22896 23.83800 Si -25.15267 31.72361 34.44233 O -27.37437 32.22063 23.83800 O -26.01083 31.36604 23.83800 Si -29.79750 26.36721 23.83800 O -27.87139 25.15267 34.44233 O -28.22896 26.01083 23.83800 Si -33.22779 29.79750 23.83800 O -34.44233 27.87139 34.44233 O -32.22063 27.37437 23.83800 O -33.58417 28.22896 23.83800 Si -29.79750 33.22779 23.83800 O -31.72361 34.44233 34.44233 O -32.22063 32.22063 23.83800 O -31.36604 33.58417 23.83800 Si -34.44233 31.72361 25.15267 O -33.58417 31.36604 23.83800 Si -27.87139 34.44233 25.15267 O -28.22896 33.58417 23.83800 Si -31.72361 25.15267 25.15267 O -31.36604 26.01083 23.83800 Si -23.83800 26.36721 41.71650 O -25.15267 25.15267 39.79039 O -23.83800 27.37437 39.29337 O -23.83800 26.01083 40.14796 Si -33.22779 23.83800 41.71650 O -34.44233 25.15267 39.79039 O -32.22063 23.83800 39.29337 O -33.58417 23.83800 40.14796 Si -23.83800 33.22779 41.71650 O -34.44233 34.44233 39.79039 O -23.83800 32.22063 39.29337 O -23.83800 33.58417 40.14796 Si -26.36721 23.83800 41.71650 O -25.15267 34.44233 39.79039 O -27.37437 23.83800 39.29337 O -26.01083 23.83800 40.14796 Si -25.15267 34.44233 43.64261 O -23.83800 32.22063 44.13963 O -23.83800 33.58417 43.28504 Si -25.15267 25.15267 43.64261 O -27.37437 23.83800 44.13963 O -26.01083 23.83800 43.28504 Si -34.44233 25.15267 43.64261 O -23.83800 27.37437 44.13963 O -23.83800 26.01083 43.28504 Si -34.44233 34.44233 43.64261 O -32.22063 23.83800 44.13963 O -33.58417 23.83800 43.28504 Si -29.79750 23.83800 38.28621 O -27.87139 25.15267 37.07167 O -28.22896 23.83800 37.92983 Si -23.83800 29.79750 38.28621 O -34.44233 27.87139 37.07167 O -23.83800 28.22896 37.92983 Si -31.72361 34.44233 37.07167 O -31.36604 23.83800 37.92983 Si -25.15267 31.72361 37.07167 O -23.83800 31.36604 37.92983 Si -29.79750 23.83800 45.14679 O -27.87139 34.44233 46.36133 O -28.22896 23.83800 45.50317 Si -23.83800 29.79750 45.14679 O -25.15267 27.87139 46.36133 O -23.83800 28.22896 45.50317 Si -31.72361 25.15267 46.36133 O -31.36604 23.83800 45.50317 Si -34.44233 31.72361 46.36133 O -23.83800 31.36604 45.50317 Si -26.36721 29.79750 35.75700 O -25.15267 27.87139 37.07167 O -27.37437 27.37437 35.75700 O -26.01083 28.22896 35.75700 Si -25.15267 31.72361 46.36133 O -27.37437 32.22063 35.75700 O -26.01083 31.36604 35.75700 Si -29.79750 26.36721 35.75700 O -27.87139 25.15267 46.36133 O -28.22896 26.01083 35.75700 Si -33.22779 29.79750 35.75700 O -34.44233 27.87139 46.36133 O -32.22063 27.37437 35.75700 O -33.58417 28.22896 35.75700 Si -29.79750 33.22779 35.75700 O -31.72361 34.44233 46.36133 O -32.22063 32.22063 35.75700 O -31.36604 33.58417 35.75700 Si -34.44233 31.72361 37.07167 O -33.58417 31.36604 35.75700 Si -27.87139 34.44233 37.07167 O -28.22896 33.58417 35.75700 Si -31.72361 25.15267 37.07167 O -31.36604 26.01083 35.75700 Si -23.83800 38.28621 5.95950 O -25.15267 37.07167 4.03339 O -23.83800 39.29337 3.53637 O -23.83800 37.92983 4.39096 Si -33.22779 35.75700 5.95950 O -34.44233 37.07167 4.03339 O -32.22063 35.75700 3.53637 O -33.58417 35.75700 4.39096 Si -23.83800 45.14679 5.95950 O -34.44233 46.36133 4.03339 O -23.83800 44.13963 3.53637 O -23.83800 45.50317 4.39096 Si -26.36721 35.75700 5.95950 O -25.15267 46.36133 4.03339 O -27.37437 35.75700 3.53637 O -26.01083 35.75700 4.39096 Si -25.15267 46.36133 7.88561 O -23.83800 44.13963 8.38263 O -23.83800 45.50317 7.52804 Si -25.15267 37.07167 7.88561 O -27.37437 35.75700 8.38263 O -26.01083 35.75700 7.52804 Si -34.44233 37.07167 7.88561 O -23.83800 39.29337 8.38263 O -23.83800 37.92983 7.52804 Si -34.44233 46.36133 7.88561 O -32.22063 35.75700 8.38263 O -33.58417 35.75700 7.52804 Si -29.79750 35.75700 2.52921 O -27.87139 37.07167 1.31467 O -28.22896 35.75700 2.17283 Si -23.83800 41.71650 2.52921 O -34.44233 39.79039 1.31467 O -23.83800 40.14796 2.17283 Si -31.72361 46.36133 1.31467 O -31.36604 35.75700 2.17283 Si -25.15267 43.64261 1.31467 O -23.83800 43.28504 2.17283 Si -29.79750 35.75700 9.38979 O -27.87139 46.36133 10.60433 O -28.22896 35.75700 9.74617 Si -23.83800 41.71650 9.38979 O -25.15267 39.79039 10.60433 O -23.83800 40.14796 9.74617 Si -31.72361 37.07167 10.60433 O -31.36604 35.75700 9.74617 Si -34.44233 43.64261 10.60433 O -23.83800 43.28504 9.74617 Si -26.36721 41.71650 0.00000 O -25.15267 39.79039 1.31467 O -27.37437 39.29337 0.00000 O -26.01083 40.14796 0.00000 Si -25.15267 43.64261 10.60433 O -27.37437 44.13963 0.00000 O -26.01083 43.28504 0.00000 Si -29.79750 38.28621 0.00000 O -27.87139 37.07167 10.60433 O -28.22896 37.92983 0.00000 Si -33.22779 41.71650 0.00000 O -34.44233 39.79039 10.60433 O -32.22063 39.29337 0.00000 O -33.58417 40.14796 0.00000 Si -29.79750 45.14679 0.00000 O -31.72361 46.36133 10.60433 O -32.22063 44.13963 0.00000 O -31.36604 45.50317 0.00000 Si -34.44233 43.64261 1.31467 O -33.58417 43.28504 0.00000 Si -27.87139 46.36133 1.31467 O -28.22896 45.50317 0.00000 Si -31.72361 37.07167 1.31467 O -31.36604 37.92983 0.00000 Si -23.83800 38.28621 17.87850 O -25.15267 37.07167 15.95239 O -23.83800 39.29337 15.45537 O -23.83800 37.92983 16.30996 Si -33.22779 35.75700 17.87850 O -34.44233 37.07167 15.95239 O -32.22063 35.75700 15.45537 O -33.58417 35.75700 16.30996 Si -23.83800 45.14679 17.87850 O -34.44233 46.36133 15.95239 O -23.83800 44.13963 15.45537 O -23.83800 45.50317 16.30996 Si -26.36721 35.75700 17.87850 O -25.15267 46.36133 15.95239 O -27.37437 35.75700 15.45537 O -26.01083 35.75700 16.30996 Si -25.15267 46.36133 19.80461 O -23.83800 44.13963 20.30163 O -23.83800 45.50317 19.44704 Si -25.15267 37.07167 19.80461 O -27.37437 35.75700 20.30163 O -26.01083 35.75700 19.44704 Si -34.44233 37.07167 19.80461 O -23.83800 39.29337 20.30163 O -23.83800 37.92983 19.44704 Si -34.44233 46.36133 19.80461 O -32.22063 35.75700 20.30163 O -33.58417 35.75700 19.44704 Si -29.79750 35.75700 14.44821 O -27.87139 37.07167 13.23367 O -28.22896 35.75700 14.09183 Si -23.83800 41.71650 14.44821 O -34.44233 39.79039 13.23367 O -23.83800 40.14796 14.09183 Si -31.72361 46.36133 13.23367 O -31.36604 35.75700 14.09183 Si -25.15267 43.64261 13.23367 O -23.83800 43.28504 14.09183 Si -29.79750 35.75700 21.30879 O -27.87139 46.36133 22.52333 O -28.22896 35.75700 21.66517 Si -23.83800 41.71650 21.30879 O -25.15267 39.79039 22.52333 O -23.83800 40.14796 21.66517 Si -31.72361 37.07167 22.52333 O -31.36604 35.75700 21.66517 Si -34.44233 43.64261 22.52333 O -23.83800 43.28504 21.66517 Si -26.36721 41.71650 11.91900 O -25.15267 39.79039 13.23367 O -27.37437 39.29337 11.91900 O -26.01083 40.14796 11.91900 Si -25.15267 43.64261 22.52333 O -27.37437 44.13963 11.91900 O -26.01083 43.28504 11.91900 Si -29.79750 38.28621 11.91900 O -27.87139 37.07167 22.52333 O -28.22896 37.92983 11.91900 Si -33.22779 41.71650 11.91900 O -34.44233 39.79039 22.52333 O -32.22063 39.29337 11.91900 O -33.58417 40.14796 11.91900 Si -29.79750 45.14679 11.91900 O -31.72361 46.36133 22.52333 O -32.22063 44.13963 11.91900 O -31.36604 45.50317 11.91900 Si -34.44233 43.64261 13.23367 O -33.58417 43.28504 11.91900 Si -27.87139 46.36133 13.23367 O -28.22896 45.50317 11.91900 Si -31.72361 37.07167 13.23367 O -31.36604 37.92983 11.91900 Si -23.83800 38.28621 29.79750 O -25.15267 37.07167 27.87139 O -23.83800 39.29337 27.37437 O -23.83800 37.92983 28.22896 Si -33.22779 35.75700 29.79750 O -34.44233 37.07167 27.87139 O -32.22063 35.75700 27.37437 O -33.58417 35.75700 28.22896 Si -23.83800 45.14679 29.79750 O -34.44233 46.36133 27.87139 O -23.83800 44.13963 27.37437 O -23.83800 45.50317 28.22896 Si -26.36721 35.75700 29.79750 O -25.15267 46.36133 27.87139 O -27.37437 35.75700 27.37437 O -26.01083 35.75700 28.22896 Si -25.15267 46.36133 31.72361 O -23.83800 44.13963 32.22063 O -23.83800 45.50317 31.36604 Si -25.15267 37.07167 31.72361 O -27.37437 35.75700 32.22063 O -26.01083 35.75700 31.36604 Si -34.44233 37.07167 31.72361 O -23.83800 39.29337 32.22063 O -23.83800 37.92983 31.36604 Si -34.44233 46.36133 31.72361 O -32.22063 35.75700 32.22063 O -33.58417 35.75700 31.36604 Si -29.79750 35.75700 26.36721 O -27.87139 37.07167 25.15267 O -28.22896 35.75700 26.01083 Si -23.83800 41.71650 26.36721 O -34.44233 39.79039 25.15267 O -23.83800 40.14796 26.01083 Si -31.72361 46.36133 25.15267 O -31.36604 35.75700 26.01083 Si -25.15267 43.64261 25.15267 O -23.83800 43.28504 26.01083 Si -29.79750 35.75700 33.22779 O -27.87139 46.36133 34.44233 O -28.22896 35.75700 33.58417 Si -23.83800 41.71650 33.22779 O -25.15267 39.79039 34.44233 O -23.83800 40.14796 33.58417 Si -31.72361 37.07167 34.44233 O -31.36604 35.75700 33.58417 Si -34.44233 43.64261 34.44233 O -23.83800 43.28504 33.58417 Si -26.36721 41.71650 23.83800 O -25.15267 39.79039 25.15267 O -27.37437 39.29337 23.83800 O -26.01083 40.14796 23.83800 Si -25.15267 43.64261 34.44233 O -27.37437 44.13963 23.83800 O -26.01083 43.28504 23.83800 Si -29.79750 38.28621 23.83800 O -27.87139 37.07167 34.44233 O -28.22896 37.92983 23.83800 Si -33.22779 41.71650 23.83800 O -34.44233 39.79039 34.44233 O -32.22063 39.29337 23.83800 O -33.58417 40.14796 23.83800 Si -29.79750 45.14679 23.83800 O -31.72361 46.36133 34.44233 O -32.22063 44.13963 23.83800 O -31.36604 45.50317 23.83800 Si -34.44233 43.64261 25.15267 O -33.58417 43.28504 23.83800 Si -27.87139 46.36133 25.15267 O -28.22896 45.50317 23.83800 Si -31.72361 37.07167 25.15267 O -31.36604 37.92983 23.83800 Si -23.83800 38.28621 41.71650 O -25.15267 37.07167 39.79039 O -23.83800 39.29337 39.29337 O -23.83800 37.92983 40.14796 Si -33.22779 35.75700 41.71650 O -34.44233 37.07167 39.79039 O -32.22063 35.75700 39.29337 O -33.58417 35.75700 40.14796 Si -23.83800 45.14679 41.71650 O -34.44233 46.36133 39.79039 O -23.83800 44.13963 39.29337 O -23.83800 45.50317 40.14796 Si -26.36721 35.75700 41.71650 O -25.15267 46.36133 39.79039 O -27.37437 35.75700 39.29337 O -26.01083 35.75700 40.14796 Si -25.15267 46.36133 43.64261 O -23.83800 44.13963 44.13963 O -23.83800 45.50317 43.28504 Si -25.15267 37.07167 43.64261 O -27.37437 35.75700 44.13963 O -26.01083 35.75700 43.28504 Si -34.44233 37.07167 43.64261 O -23.83800 39.29337 44.13963 O -23.83800 37.92983 43.28504 Si -34.44233 46.36133 43.64261 O -32.22063 35.75700 44.13963 O -33.58417 35.75700 43.28504 Si -29.79750 35.75700 38.28621 O -27.87139 37.07167 37.07167 O -28.22896 35.75700 37.92983 Si -23.83800 41.71650 38.28621 O -34.44233 39.79039 37.07167 O -23.83800 40.14796 37.92983 Si -31.72361 46.36133 37.07167 O -31.36604 35.75700 37.92983 Si -25.15267 43.64261 37.07167 O -23.83800 43.28504 37.92983 Si -29.79750 35.75700 45.14679 O -27.87139 46.36133 46.36133 O -28.22896 35.75700 45.50317 Si -23.83800 41.71650 45.14679 O -25.15267 39.79039 46.36133 O -23.83800 40.14796 45.50317 Si -31.72361 37.07167 46.36133 O -31.36604 35.75700 45.50317 Si -34.44233 43.64261 46.36133 O -23.83800 43.28504 45.50317 Si -26.36721 41.71650 35.75700 O -25.15267 39.79039 37.07167 O -27.37437 39.29337 35.75700 O -26.01083 40.14796 35.75700 Si -25.15267 43.64261 46.36133 O -27.37437 44.13963 35.75700 O -26.01083 43.28504 35.75700 Si -29.79750 38.28621 35.75700 O -27.87139 37.07167 46.36133 O -28.22896 37.92983 35.75700 Si -33.22779 41.71650 35.75700 O -34.44233 39.79039 46.36133 O -32.22063 39.29337 35.75700 O -33.58417 40.14796 35.75700 Si -29.79750 45.14679 35.75700 O -31.72361 46.36133 46.36133 O -32.22063 44.13963 35.75700 O -31.36604 45.50317 35.75700 Si -34.44233 43.64261 37.07167 O -33.58417 43.28504 35.75700 Si -27.87139 46.36133 37.07167 O -28.22896 45.50317 35.75700 Si -31.72361 37.07167 37.07167 O -31.36604 37.92983 35.75700 Si -35.75700 2.52921 5.95950 O -37.07167 1.31467 4.03339 O -35.75700 3.53637 3.53637 O -35.75700 2.17283 4.39096 Si -45.14679 0.00000 5.95950 O -46.36133 1.31467 4.03339 O -44.13963 0.00000 3.53637 O -45.50317 0.00000 4.39096 Si -35.75700 9.38979 5.95950 O -46.36133 10.60433 4.03339 O -35.75700 8.38263 3.53637 O -35.75700 9.74617 4.39096 Si -38.28621 0.00000 5.95950 O -37.07167 10.60433 4.03339 O -39.29337 0.00000 3.53637 O -37.92983 0.00000 4.39096 Si -37.07167 10.60433 7.88561 O -35.75700 8.38263 8.38263 O -35.75700 9.74617 7.52804 Si -37.07167 1.31467 7.88561 O -39.29337 0.00000 8.38263 O -37.92983 0.00000 7.52804 Si -46.36133 1.31467 7.88561 O -35.75700 3.53637 8.38263 O -35.75700 2.17283 7.52804 Si -46.36133 10.60433 7.88561 O -44.13963 0.00000 8.38263 O -45.50317 0.00000 7.52804 Si -41.71650 0.00000 2.52921 O -39.79039 1.31467 1.31467 O -40.14796 0.00000 2.17283 Si -35.75700 5.95950 2.52921 O -46.36133 4.03339 1.31467 O -35.75700 4.39096 2.17283 Si -43.64261 10.60433 1.31467 O -43.28504 0.00000 2.17283 Si -37.07167 7.88561 1.31467 O -35.75700 7.52804 2.17283 Si -41.71650 0.00000 9.38979 O -39.79039 10.60433 10.60433 O -40.14796 0.00000 9.74617 Si -35.75700 5.95950 9.38979 O -37.07167 4.03339 10.60433 O -35.75700 4.39096 9.74617 Si -43.64261 1.31467 10.60433 O -43.28504 0.00000 9.74617 Si -46.36133 7.88561 10.60433 O -35.75700 7.52804 9.74617 Si -38.28621 5.95950 0.00000 O -37.07167 4.03339 1.31467 O -39.29337 3.53637 0.00000 O -37.92983 4.39096 0.00000 Si -37.07167 7.88561 10.60433 O -39.29337 8.38263 0.00000 O -37.92983 7.52804 0.00000 Si -41.71650 2.52921 0.00000 O -39.79039 1.31467 10.60433 O -40.14796 2.17283 0.00000 Si -45.14679 5.95950 0.00000 O -46.36133 4.03339 10.60433 O -44.13963 3.53637 0.00000 O -45.50317 4.39096 0.00000 Si -41.71650 9.38979 0.00000 O -43.64261 10.60433 10.60433 O -44.13963 8.38263 0.00000 O -43.28504 9.74617 0.00000 Si -46.36133 7.88561 1.31467 O -45.50317 7.52804 0.00000 Si -39.79039 10.60433 1.31467 O -40.14796 9.74617 0.00000 Si -43.64261 1.31467 1.31467 O -43.28504 2.17283 0.00000 Si -35.75700 2.52921 17.87850 O -37.07167 1.31467 15.95239 O -35.75700 3.53637 15.45537 O -35.75700 2.17283 16.30996 Si -45.14679 0.00000 17.87850 O -46.36133 1.31467 15.95239 O -44.13963 0.00000 15.45537 O -45.50317 0.00000 16.30996 Si -35.75700 9.38979 17.87850 O -46.36133 10.60433 15.95239 O -35.75700 8.38263 15.45537 O -35.75700 9.74617 16.30996 Si -38.28621 0.00000 17.87850 O -37.07167 10.60433 15.95239 O -39.29337 0.00000 15.45537 O -37.92983 0.00000 16.30996 Si -37.07167 10.60433 19.80461 O -35.75700 8.38263 20.30163 O -35.75700 9.74617 19.44704 Si -37.07167 1.31467 19.80461 O -39.29337 0.00000 20.30163 O -37.92983 0.00000 19.44704 Si -46.36133 1.31467 19.80461 O -35.75700 3.53637 20.30163 O -35.75700 2.17283 19.44704 Si -46.36133 10.60433 19.80461 O -44.13963 0.00000 20.30163 O -45.50317 0.00000 19.44704 Si -41.71650 0.00000 14.44821 O -39.79039 1.31467 13.23367 O -40.14796 0.00000 14.09183 Si -35.75700 5.95950 14.44821 O -46.36133 4.03339 13.23367 O -35.75700 4.39096 14.09183 Si -43.64261 10.60433 13.23367 O -43.28504 0.00000 14.09183 Si -37.07167 7.88561 13.23367 O -35.75700 7.52804 14.09183 Si -41.71650 0.00000 21.30879 O -39.79039 10.60433 22.52333 O -40.14796 0.00000 21.66517 Si -35.75700 5.95950 21.30879 O -37.07167 4.03339 22.52333 O -35.75700 4.39096 21.66517 Si -43.64261 1.31467 22.52333 O -43.28504 0.00000 21.66517 Si -46.36133 7.88561 22.52333 O -35.75700 7.52804 21.66517 Si -38.28621 5.95950 11.91900 O -37.07167 4.03339 13.23367 O -39.29337 3.53637 11.91900 O -37.92983 4.39096 11.91900 Si -37.07167 7.88561 22.52333 O -39.29337 8.38263 11.91900 O -37.92983 7.52804 11.91900 Si -41.71650 2.52921 11.91900 O -39.79039 1.31467 22.52333 O -40.14796 2.17283 11.91900 Si -45.14679 5.95950 11.91900 O -46.36133 4.03339 22.52333 O -44.13963 3.53637 11.91900 O -45.50317 4.39096 11.91900 Si -41.71650 9.38979 11.91900 O -43.64261 10.60433 22.52333 O -44.13963 8.38263 11.91900 O -43.28504 9.74617 11.91900 Si -46.36133 7.88561 13.23367 O -45.50317 7.52804 11.91900 Si -39.79039 10.60433 13.23367 O -40.14796 9.74617 11.91900 Si -43.64261 1.31467 13.23367 O -43.28504 2.17283 11.91900 Si -35.75700 2.52921 29.79750 O -37.07167 1.31467 27.87139 O -35.75700 3.53637 27.37437 O -35.75700 2.17283 28.22896 Si -45.14679 0.00000 29.79750 O -46.36133 1.31467 27.87139 O -44.13963 0.00000 27.37437 O -45.50317 0.00000 28.22896 Si -35.75700 9.38979 29.79750 O -46.36133 10.60433 27.87139 O -35.75700 8.38263 27.37437 O -35.75700 9.74617 28.22896 Si -38.28621 0.00000 29.79750 O -37.07167 10.60433 27.87139 O -39.29337 0.00000 27.37437 O -37.92983 0.00000 28.22896 Si -37.07167 10.60433 31.72361 O -35.75700 8.38263 32.22063 O -35.75700 9.74617 31.36604 Si -37.07167 1.31467 31.72361 O -39.29337 0.00000 32.22063 O -37.92983 0.00000 31.36604 Si -46.36133 1.31467 31.72361 O -35.75700 3.53637 32.22063 O -35.75700 2.17283 31.36604 Si -46.36133 10.60433 31.72361 O -44.13963 0.00000 32.22063 O -45.50317 0.00000 31.36604 Si -41.71650 0.00000 26.36721 O -39.79039 1.31467 25.15267 O -40.14796 0.00000 26.01083 Si -35.75700 5.95950 26.36721 O -46.36133 4.03339 25.15267 O -35.75700 4.39096 26.01083 Si -43.64261 10.60433 25.15267 O -43.28504 0.00000 26.01083 Si -37.07167 7.88561 25.15267 O -35.75700 7.52804 26.01083 Si -41.71650 0.00000 33.22779 O -39.79039 10.60433 34.44233 O -40.14796 0.00000 33.58417 Si -35.75700 5.95950 33.22779 O -37.07167 4.03339 34.44233 O -35.75700 4.39096 33.58417 Si -43.64261 1.31467 34.44233 O -43.28504 0.00000 33.58417 Si -46.36133 7.88561 34.44233 O -35.75700 7.52804 33.58417 Si -38.28621 5.95950 23.83800 O -37.07167 4.03339 25.15267 O -39.29337 3.53637 23.83800 O -37.92983 4.39096 23.83800 Si -37.07167 7.88561 34.44233 O -39.29337 8.38263 23.83800 O -37.92983 7.52804 23.83800 Si -41.71650 2.52921 23.83800 O -39.79039 1.31467 34.44233 O -40.14796 2.17283 23.83800 Si -45.14679 5.95950 23.83800 O -46.36133 4.03339 34.44233 O -44.13963 3.53637 23.83800 O -45.50317 4.39096 23.83800 Si -41.71650 9.38979 23.83800 O -43.64261 10.60433 34.44233 O -44.13963 8.38263 23.83800 O -43.28504 9.74617 23.83800 Si -46.36133 7.88561 25.15267 O -45.50317 7.52804 23.83800 Si -39.79039 10.60433 25.15267 O -40.14796 9.74617 23.83800 Si -43.64261 1.31467 25.15267 O -43.28504 2.17283 23.83800 Si -35.75700 2.52921 41.71650 O -37.07167 1.31467 39.79039 O -35.75700 3.53637 39.29337 O -35.75700 2.17283 40.14796 Si -45.14679 0.00000 41.71650 O -46.36133 1.31467 39.79039 O -44.13963 0.00000 39.29337 O -45.50317 0.00000 40.14796 Si -35.75700 9.38979 41.71650 O -46.36133 10.60433 39.79039 O -35.75700 8.38263 39.29337 O -35.75700 9.74617 40.14796 Si -38.28621 0.00000 41.71650 O -37.07167 10.60433 39.79039 O -39.29337 0.00000 39.29337 O -37.92983 0.00000 40.14796 Si -37.07167 10.60433 43.64261 O -35.75700 8.38263 44.13963 O -35.75700 9.74617 43.28504 Si -37.07167 1.31467 43.64261 O -39.29337 0.00000 44.13963 O -37.92983 0.00000 43.28504 Si -46.36133 1.31467 43.64261 O -35.75700 3.53637 44.13963 O -35.75700 2.17283 43.28504 Si -46.36133 10.60433 43.64261 O -44.13963 0.00000 44.13963 O -45.50317 0.00000 43.28504 Si -41.71650 0.00000 38.28621 O -39.79039 1.31467 37.07167 O -40.14796 0.00000 37.92983 Si -35.75700 5.95950 38.28621 O -46.36133 4.03339 37.07167 O -35.75700 4.39096 37.92983 Si -43.64261 10.60433 37.07167 O -43.28504 0.00000 37.92983 Si -37.07167 7.88561 37.07167 O -35.75700 7.52804 37.92983 Si -41.71650 0.00000 45.14679 O -39.79039 10.60433 46.36133 O -40.14796 0.00000 45.50317 Si -35.75700 5.95950 45.14679 O -37.07167 4.03339 46.36133 O -35.75700 4.39096 45.50317 Si -43.64261 1.31467 46.36133 O -43.28504 0.00000 45.50317 Si -46.36133 7.88561 46.36133 O -35.75700 7.52804 45.50317 Si -38.28621 5.95950 35.75700 O -37.07167 4.03339 37.07167 O -39.29337 3.53637 35.75700 O -37.92983 4.39096 35.75700 Si -37.07167 7.88561 46.36133 O -39.29337 8.38263 35.75700 O -37.92983 7.52804 35.75700 Si -41.71650 2.52921 35.75700 O -39.79039 1.31467 46.36133 O -40.14796 2.17283 35.75700 Si -45.14679 5.95950 35.75700 O -46.36133 4.03339 46.36133 O -44.13963 3.53637 35.75700 O -45.50317 4.39096 35.75700 Si -41.71650 9.38979 35.75700 O -43.64261 10.60433 46.36133 O -44.13963 8.38263 35.75700 O -43.28504 9.74617 35.75700 Si -46.36133 7.88561 37.07167 O -45.50317 7.52804 35.75700 Si -39.79039 10.60433 37.07167 O -40.14796 9.74617 35.75700 Si -43.64261 1.31467 37.07167 O -43.28504 2.17283 35.75700 Si -35.75700 14.44821 5.95950 O -37.07167 13.23367 4.03339 O -35.75700 15.45537 3.53637 O -35.75700 14.09183 4.39096 Si -45.14679 11.91900 5.95950 O -46.36133 13.23367 4.03339 O -44.13963 11.91900 3.53637 O -45.50317 11.91900 4.39096 Si -35.75700 21.30879 5.95950 O -46.36133 22.52333 4.03339 O -35.75700 20.30163 3.53637 O -35.75700 21.66517 4.39096 Si -38.28621 11.91900 5.95950 O -37.07167 22.52333 4.03339 O -39.29337 11.91900 3.53637 O -37.92983 11.91900 4.39096 Si -37.07167 22.52333 7.88561 O -35.75700 20.30163 8.38263 O -35.75700 21.66517 7.52804 Si -37.07167 13.23367 7.88561 O -39.29337 11.91900 8.38263 O -37.92983 11.91900 7.52804 Si -46.36133 13.23367 7.88561 O -35.75700 15.45537 8.38263 O -35.75700 14.09183 7.52804 Si -46.36133 22.52333 7.88561 O -44.13963 11.91900 8.38263 O -45.50317 11.91900 7.52804 Si -41.71650 11.91900 2.52921 O -39.79039 13.23367 1.31467 O -40.14796 11.91900 2.17283 Si -35.75700 17.87850 2.52921 O -46.36133 15.95239 1.31467 O -35.75700 16.30996 2.17283 Si -43.64261 22.52333 1.31467 O -43.28504 11.91900 2.17283 Si -37.07167 19.80461 1.31467 O -35.75700 19.44704 2.17283 Si -41.71650 11.91900 9.38979 O -39.79039 22.52333 10.60433 O -40.14796 11.91900 9.74617 Si -35.75700 17.87850 9.38979 O -37.07167 15.95239 10.60433 O -35.75700 16.30996 9.74617 Si -43.64261 13.23367 10.60433 O -43.28504 11.91900 9.74617 Si -46.36133 19.80461 10.60433 O -35.75700 19.44704 9.74617 Si -38.28621 17.87850 0.00000 O -37.07167 15.95239 1.31467 O -39.29337 15.45537 0.00000 O -37.92983 16.30996 0.00000 Si -37.07167 19.80461 10.60433 O -39.29337 20.30163 0.00000 O -37.92983 19.44704 0.00000 Si -41.71650 14.44821 0.00000 O -39.79039 13.23367 10.60433 O -40.14796 14.09183 0.00000 Si -45.14679 17.87850 0.00000 O -46.36133 15.95239 10.60433 O -44.13963 15.45537 0.00000 O -45.50317 16.30996 0.00000 Si -41.71650 21.30879 0.00000 O -43.64261 22.52333 10.60433 O -44.13963 20.30163 0.00000 O -43.28504 21.66517 0.00000 Si -46.36133 19.80461 1.31467 O -45.50317 19.44704 0.00000 Si -39.79039 22.52333 1.31467 O -40.14796 21.66517 0.00000 Si -43.64261 13.23367 1.31467 O -43.28504 14.09183 0.00000 Si -35.75700 14.44821 17.87850 O -37.07167 13.23367 15.95239 O -35.75700 15.45537 15.45537 O -35.75700 14.09183 16.30996 Si -45.14679 11.91900 17.87850 O -46.36133 13.23367 15.95239 O -44.13963 11.91900 15.45537 O -45.50317 11.91900 16.30996 Si -35.75700 21.30879 17.87850 O -46.36133 22.52333 15.95239 O -35.75700 20.30163 15.45537 O -35.75700 21.66517 16.30996 Si -38.28621 11.91900 17.87850 O -37.07167 22.52333 15.95239 O -39.29337 11.91900 15.45537 O -37.92983 11.91900 16.30996 Si -37.07167 22.52333 19.80461 O -35.75700 20.30163 20.30163 O -35.75700 21.66517 19.44704 Si -37.07167 13.23367 19.80461 O -39.29337 11.91900 20.30163 O -37.92983 11.91900 19.44704 Si -46.36133 13.23367 19.80461 O -35.75700 15.45537 20.30163 O -35.75700 14.09183 19.44704 Si -46.36133 22.52333 19.80461 O -44.13963 11.91900 20.30163 O -45.50317 11.91900 19.44704 Si -41.71650 11.91900 14.44821 O -39.79039 13.23367 13.23367 O -40.14796 11.91900 14.09183 Si -35.75700 17.87850 14.44821 O -46.36133 15.95239 13.23367 O -35.75700 16.30996 14.09183 Si -43.64261 22.52333 13.23367 O -43.28504 11.91900 14.09183 Si -37.07167 19.80461 13.23367 O -35.75700 19.44704 14.09183 Si -41.71650 11.91900 21.30879 O -39.79039 22.52333 22.52333 O -40.14796 11.91900 21.66517 Si -35.75700 17.87850 21.30879 O -37.07167 15.95239 22.52333 O -35.75700 16.30996 21.66517 Si -43.64261 13.23367 22.52333 O -43.28504 11.91900 21.66517 Si -46.36133 19.80461 22.52333 O -35.75700 19.44704 21.66517 Si -38.28621 17.87850 11.91900 O -37.07167 15.95239 13.23367 O -39.29337 15.45537 11.91900 O -37.92983 16.30996 11.91900 Si -37.07167 19.80461 22.52333 O -39.29337 20.30163 11.91900 O -37.92983 19.44704 11.91900 Si -41.71650 14.44821 11.91900 O -39.79039 13.23367 22.52333 O -40.14796 14.09183 11.91900 Si -45.14679 17.87850 11.91900 O -46.36133 15.95239 22.52333 O -44.13963 15.45537 11.91900 O -45.50317 16.30996 11.91900 Si -41.71650 21.30879 11.91900 O -43.64261 22.52333 22.52333 O -44.13963 20.30163 11.91900 O -43.28504 21.66517 11.91900 Si -46.36133 19.80461 13.23367 O -45.50317 19.44704 11.91900 Si -39.79039 22.52333 13.23367 O -40.14796 21.66517 11.91900 Si -43.64261 13.23367 13.23367 O -43.28504 14.09183 11.91900 Si -35.75700 14.44821 29.79750 O -37.07167 13.23367 27.87139 O -35.75700 15.45537 27.37437 O -35.75700 14.09183 28.22896 Si -45.14679 11.91900 29.79750 O -46.36133 13.23367 27.87139 O -44.13963 11.91900 27.37437 O -45.50317 11.91900 28.22896 Si -35.75700 21.30879 29.79750 O -46.36133 22.52333 27.87139 O -35.75700 20.30163 27.37437 O -35.75700 21.66517 28.22896 Si -38.28621 11.91900 29.79750 O -37.07167 22.52333 27.87139 O -39.29337 11.91900 27.37437 O -37.92983 11.91900 28.22896 Si -37.07167 22.52333 31.72361 O -35.75700 20.30163 32.22063 O -35.75700 21.66517 31.36604 Si -37.07167 13.23367 31.72361 O -39.29337 11.91900 32.22063 O -37.92983 11.91900 31.36604 Si -46.36133 13.23367 31.72361 O -35.75700 15.45537 32.22063 O -35.75700 14.09183 31.36604 Si -46.36133 22.52333 31.72361 O -44.13963 11.91900 32.22063 O -45.50317 11.91900 31.36604 Si -41.71650 11.91900 26.36721 O -39.79039 13.23367 25.15267 O -40.14796 11.91900 26.01083 Si -35.75700 17.87850 26.36721 O -46.36133 15.95239 25.15267 O -35.75700 16.30996 26.01083 Si -43.64261 22.52333 25.15267 O -43.28504 11.91900 26.01083 Si -37.07167 19.80461 25.15267 O -35.75700 19.44704 26.01083 Si -41.71650 11.91900 33.22779 O -39.79039 22.52333 34.44233 O -40.14796 11.91900 33.58417 Si -35.75700 17.87850 33.22779 O -37.07167 15.95239 34.44233 O -35.75700 16.30996 33.58417 Si -43.64261 13.23367 34.44233 O -43.28504 11.91900 33.58417 Si -46.36133 19.80461 34.44233 O -35.75700 19.44704 33.58417 Si -38.28621 17.87850 23.83800 O -37.07167 15.95239 25.15267 O -39.29337 15.45537 23.83800 O -37.92983 16.30996 23.83800 Si -37.07167 19.80461 34.44233 O -39.29337 20.30163 23.83800 O -37.92983 19.44704 23.83800 Si -41.71650 14.44821 23.83800 O -39.79039 13.23367 34.44233 O -40.14796 14.09183 23.83800 Si -45.14679 17.87850 23.83800 O -46.36133 15.95239 34.44233 O -44.13963 15.45537 23.83800 O -45.50317 16.30996 23.83800 Si -41.71650 21.30879 23.83800 O -43.64261 22.52333 34.44233 O -44.13963 20.30163 23.83800 O -43.28504 21.66517 23.83800 Si -46.36133 19.80461 25.15267 O -45.50317 19.44704 23.83800 Si -39.79039 22.52333 25.15267 O -40.14796 21.66517 23.83800 Si -43.64261 13.23367 25.15267 O -43.28504 14.09183 23.83800 Si -35.75700 14.44821 41.71650 O -37.07167 13.23367 39.79039 O -35.75700 15.45537 39.29337 O -35.75700 14.09183 40.14796 Si -45.14679 11.91900 41.71650 O -46.36133 13.23367 39.79039 O -44.13963 11.91900 39.29337 O -45.50317 11.91900 40.14796 Si -35.75700 21.30879 41.71650 O -46.36133 22.52333 39.79039 O -35.75700 20.30163 39.29337 O -35.75700 21.66517 40.14796 Si -38.28621 11.91900 41.71650 O -37.07167 22.52333 39.79039 O -39.29337 11.91900 39.29337 O -37.92983 11.91900 40.14796 Si -37.07167 22.52333 43.64261 O -35.75700 20.30163 44.13963 O -35.75700 21.66517 43.28504 Si -37.07167 13.23367 43.64261 O -39.29337 11.91900 44.13963 O -37.92983 11.91900 43.28504 Si -46.36133 13.23367 43.64261 O -35.75700 15.45537 44.13963 O -35.75700 14.09183 43.28504 Si -46.36133 22.52333 43.64261 O -44.13963 11.91900 44.13963 O -45.50317 11.91900 43.28504 Si -41.71650 11.91900 38.28621 O -39.79039 13.23367 37.07167 O -40.14796 11.91900 37.92983 Si -35.75700 17.87850 38.28621 O -46.36133 15.95239 37.07167 O -35.75700 16.30996 37.92983 Si -43.64261 22.52333 37.07167 O -43.28504 11.91900 37.92983 Si -37.07167 19.80461 37.07167 O -35.75700 19.44704 37.92983 Si -41.71650 11.91900 45.14679 O -39.79039 22.52333 46.36133 O -40.14796 11.91900 45.50317 Si -35.75700 17.87850 45.14679 O -37.07167 15.95239 46.36133 O -35.75700 16.30996 45.50317 Si -43.64261 13.23367 46.36133 O -43.28504 11.91900 45.50317 Si -46.36133 19.80461 46.36133 O -35.75700 19.44704 45.50317 Si -38.28621 17.87850 35.75700 O -37.07167 15.95239 37.07167 O -39.29337 15.45537 35.75700 O -37.92983 16.30996 35.75700 Si -37.07167 19.80461 46.36133 O -39.29337 20.30163 35.75700 O -37.92983 19.44704 35.75700 Si -41.71650 14.44821 35.75700 O -39.79039 13.23367 46.36133 O -40.14796 14.09183 35.75700 Si -45.14679 17.87850 35.75700 O -46.36133 15.95239 46.36133 O -44.13963 15.45537 35.75700 O -45.50317 16.30996 35.75700 Si -41.71650 21.30879 35.75700 O -43.64261 22.52333 46.36133 O -44.13963 20.30163 35.75700 O -43.28504 21.66517 35.75700 Si -46.36133 19.80461 37.07167 O -45.50317 19.44704 35.75700 Si -39.79039 22.52333 37.07167 O -40.14796 21.66517 35.75700 Si -43.64261 13.23367 37.07167 O -43.28504 14.09183 35.75700 Si -35.75700 26.36721 5.95950 O -37.07167 25.15267 4.03339 O -35.75700 27.37437 3.53637 O -35.75700 26.01083 4.39096 Si -45.14679 23.83800 5.95950 O -46.36133 25.15267 4.03339 O -44.13963 23.83800 3.53637 O -45.50317 23.83800 4.39096 Si -35.75700 33.22779 5.95950 O -46.36133 34.44233 4.03339 O -35.75700 32.22063 3.53637 O -35.75700 33.58417 4.39096 Si -38.28621 23.83800 5.95950 O -37.07167 34.44233 4.03339 O -39.29337 23.83800 3.53637 O -37.92983 23.83800 4.39096 Si -37.07167 34.44233 7.88561 O -35.75700 32.22063 8.38263 O -35.75700 33.58417 7.52804 Si -37.07167 25.15267 7.88561 O -39.29337 23.83800 8.38263 O -37.92983 23.83800 7.52804 Si -46.36133 25.15267 7.88561 O -35.75700 27.37437 8.38263 O -35.75700 26.01083 7.52804 Si -46.36133 34.44233 7.88561 O -44.13963 23.83800 8.38263 O -45.50317 23.83800 7.52804 Si -41.71650 23.83800 2.52921 O -39.79039 25.15267 1.31467 O -40.14796 23.83800 2.17283 Si -35.75700 29.79750 2.52921 O -46.36133 27.87139 1.31467 O -35.75700 28.22896 2.17283 Si -43.64261 34.44233 1.31467 O -43.28504 23.83800 2.17283 Si -37.07167 31.72361 1.31467 O -35.75700 31.36604 2.17283 Si -41.71650 23.83800 9.38979 O -39.79039 34.44233 10.60433 O -40.14796 23.83800 9.74617 Si -35.75700 29.79750 9.38979 O -37.07167 27.87139 10.60433 O -35.75700 28.22896 9.74617 Si -43.64261 25.15267 10.60433 O -43.28504 23.83800 9.74617 Si -46.36133 31.72361 10.60433 O -35.75700 31.36604 9.74617 Si -38.28621 29.79750 0.00000 O -37.07167 27.87139 1.31467 O -39.29337 27.37437 0.00000 O -37.92983 28.22896 0.00000 Si -37.07167 31.72361 10.60433 O -39.29337 32.22063 0.00000 O -37.92983 31.36604 0.00000 Si -41.71650 26.36721 0.00000 O -39.79039 25.15267 10.60433 O -40.14796 26.01083 0.00000 Si -45.14679 29.79750 0.00000 O -46.36133 27.87139 10.60433 O -44.13963 27.37437 0.00000 O -45.50317 28.22896 0.00000 Si -41.71650 33.22779 0.00000 O -43.64261 34.44233 10.60433 O -44.13963 32.22063 0.00000 O -43.28504 33.58417 0.00000 Si -46.36133 31.72361 1.31467 O -45.50317 31.36604 0.00000 Si -39.79039 34.44233 1.31467 O -40.14796 33.58417 0.00000 Si -43.64261 25.15267 1.31467 O -43.28504 26.01083 0.00000 Si -35.75700 26.36721 17.87850 O -37.07167 25.15267 15.95239 O -35.75700 27.37437 15.45537 O -35.75700 26.01083 16.30996 Si -45.14679 23.83800 17.87850 O -46.36133 25.15267 15.95239 O -44.13963 23.83800 15.45537 O -45.50317 23.83800 16.30996 Si -35.75700 33.22779 17.87850 O -46.36133 34.44233 15.95239 O -35.75700 32.22063 15.45537 O -35.75700 33.58417 16.30996 Si -38.28621 23.83800 17.87850 O -37.07167 34.44233 15.95239 O -39.29337 23.83800 15.45537 O -37.92983 23.83800 16.30996 Si -37.07167 34.44233 19.80461 O -35.75700 32.22063 20.30163 O -35.75700 33.58417 19.44704 Si -37.07167 25.15267 19.80461 O -39.29337 23.83800 20.30163 O -37.92983 23.83800 19.44704 Si -46.36133 25.15267 19.80461 O -35.75700 27.37437 20.30163 O -35.75700 26.01083 19.44704 Si -46.36133 34.44233 19.80461 O -44.13963 23.83800 20.30163 O -45.50317 23.83800 19.44704 Si -41.71650 23.83800 14.44821 O -39.79039 25.15267 13.23367 O -40.14796 23.83800 14.09183 Si -35.75700 29.79750 14.44821 O -46.36133 27.87139 13.23367 O -35.75700 28.22896 14.09183 Si -43.64261 34.44233 13.23367 O -43.28504 23.83800 14.09183 Si -37.07167 31.72361 13.23367 O -35.75700 31.36604 14.09183 Si -41.71650 23.83800 21.30879 O -39.79039 34.44233 22.52333 O -40.14796 23.83800 21.66517 Si -35.75700 29.79750 21.30879 O -37.07167 27.87139 22.52333 O -35.75700 28.22896 21.66517 Si -43.64261 25.15267 22.52333 O -43.28504 23.83800 21.66517 Si -46.36133 31.72361 22.52333 O -35.75700 31.36604 21.66517 Si -38.28621 29.79750 11.91900 O -37.07167 27.87139 13.23367 O -39.29337 27.37437 11.91900 O -37.92983 28.22896 11.91900 Si -37.07167 31.72361 22.52333 O -39.29337 32.22063 11.91900 O -37.92983 31.36604 11.91900 Si -41.71650 26.36721 11.91900 O -39.79039 25.15267 22.52333 O -40.14796 26.01083 11.91900 Si -45.14679 29.79750 11.91900 O -46.36133 27.87139 22.52333 O -44.13963 27.37437 11.91900 O -45.50317 28.22896 11.91900 Si -41.71650 33.22779 11.91900 O -43.64261 34.44233 22.52333 O -44.13963 32.22063 11.91900 O -43.28504 33.58417 11.91900 Si -46.36133 31.72361 13.23367 O -45.50317 31.36604 11.91900 Si -39.79039 34.44233 13.23367 O -40.14796 33.58417 11.91900 Si -43.64261 25.15267 13.23367 O -43.28504 26.01083 11.91900 Si -35.75700 26.36721 29.79750 O -37.07167 25.15267 27.87139 O -35.75700 27.37437 27.37437 O -35.75700 26.01083 28.22896 Si -45.14679 23.83800 29.79750 O -46.36133 25.15267 27.87139 O -44.13963 23.83800 27.37437 O -45.50317 23.83800 28.22896 Si -35.75700 33.22779 29.79750 O -46.36133 34.44233 27.87139 O -35.75700 32.22063 27.37437 O -35.75700 33.58417 28.22896 Si -38.28621 23.83800 29.79750 O -37.07167 34.44233 27.87139 O -39.29337 23.83800 27.37437 O -37.92983 23.83800 28.22896 Si -37.07167 34.44233 31.72361 O -35.75700 32.22063 32.22063 O -35.75700 33.58417 31.36604 Si -37.07167 25.15267 31.72361 O -39.29337 23.83800 32.22063 O -37.92983 23.83800 31.36604 Si -46.36133 25.15267 31.72361 O -35.75700 27.37437 32.22063 O -35.75700 26.01083 31.36604 Si -46.36133 34.44233 31.72361 O -44.13963 23.83800 32.22063 O -45.50317 23.83800 31.36604 Si -41.71650 23.83800 26.36721 O -39.79039 25.15267 25.15267 O -40.14796 23.83800 26.01083 Si -35.75700 29.79750 26.36721 O -46.36133 27.87139 25.15267 O -35.75700 28.22896 26.01083 Si -43.64261 34.44233 25.15267 O -43.28504 23.83800 26.01083 Si -37.07167 31.72361 25.15267 O -35.75700 31.36604 26.01083 Si -41.71650 23.83800 33.22779 O -39.79039 34.44233 34.44233 O -40.14796 23.83800 33.58417 Si -35.75700 29.79750 33.22779 O -37.07167 27.87139 34.44233 O -35.75700 28.22896 33.58417 Si -43.64261 25.15267 34.44233 O -43.28504 23.83800 33.58417 Si -46.36133 31.72361 34.44233 O -35.75700 31.36604 33.58417 Si -38.28621 29.79750 23.83800 O -37.07167 27.87139 25.15267 O -39.29337 27.37437 23.83800 O -37.92983 28.22896 23.83800 Si -37.07167 31.72361 34.44233 O -39.29337 32.22063 23.83800 O -37.92983 31.36604 23.83800 Si -41.71650 26.36721 23.83800 O -39.79039 25.15267 34.44233 O -40.14796 26.01083 23.83800 Si -45.14679 29.79750 23.83800 O -46.36133 27.87139 34.44233 O -44.13963 27.37437 23.83800 O -45.50317 28.22896 23.83800 Si -41.71650 33.22779 23.83800 O -43.64261 34.44233 34.44233 O -44.13963 32.22063 23.83800 O -43.28504 33.58417 23.83800 Si -46.36133 31.72361 25.15267 O -45.50317 31.36604 23.83800 Si -39.79039 34.44233 25.15267 O -40.14796 33.58417 23.83800 Si -43.64261 25.15267 25.15267 O -43.28504 26.01083 23.83800 Si -35.75700 26.36721 41.71650 O -37.07167 25.15267 39.79039 O -35.75700 27.37437 39.29337 O -35.75700 26.01083 40.14796 Si -45.14679 23.83800 41.71650 O -46.36133 25.15267 39.79039 O -44.13963 23.83800 39.29337 O -45.50317 23.83800 40.14796 Si -35.75700 33.22779 41.71650 O -46.36133 34.44233 39.79039 O -35.75700 32.22063 39.29337 O -35.75700 33.58417 40.14796 Si -38.28621 23.83800 41.71650 O -37.07167 34.44233 39.79039 O -39.29337 23.83800 39.29337 O -37.92983 23.83800 40.14796 Si -37.07167 34.44233 43.64261 O -35.75700 32.22063 44.13963 O -35.75700 33.58417 43.28504 Si -37.07167 25.15267 43.64261 O -39.29337 23.83800 44.13963 O -37.92983 23.83800 43.28504 Si -46.36133 25.15267 43.64261 O -35.75700 27.37437 44.13963 O -35.75700 26.01083 43.28504 Si -46.36133 34.44233 43.64261 O -44.13963 23.83800 44.13963 O -45.50317 23.83800 43.28504 Si -41.71650 23.83800 38.28621 O -39.79039 25.15267 37.07167 O -40.14796 23.83800 37.92983 Si -35.75700 29.79750 38.28621 O -46.36133 27.87139 37.07167 O -35.75700 28.22896 37.92983 Si -43.64261 34.44233 37.07167 O -43.28504 23.83800 37.92983 Si -37.07167 31.72361 37.07167 O -35.75700 31.36604 37.92983 Si -41.71650 23.83800 45.14679 O -39.79039 34.44233 46.36133 O -40.14796 23.83800 45.50317 Si -35.75700 29.79750 45.14679 O -37.07167 27.87139 46.36133 O -35.75700 28.22896 45.50317 Si -43.64261 25.15267 46.36133 O -43.28504 23.83800 45.50317 Si -46.36133 31.72361 46.36133 O -35.75700 31.36604 45.50317 Si -38.28621 29.79750 35.75700 O -37.07167 27.87139 37.07167 O -39.29337 27.37437 35.75700 O -37.92983 28.22896 35.75700 Si -37.07167 31.72361 46.36133 O -39.29337 32.22063 35.75700 O -37.92983 31.36604 35.75700 Si -41.71650 26.36721 35.75700 O -39.79039 25.15267 46.36133 O -40.14796 26.01083 35.75700 Si -45.14679 29.79750 35.75700 O -46.36133 27.87139 46.36133 O -44.13963 27.37437 35.75700 O -45.50317 28.22896 35.75700 Si -41.71650 33.22779 35.75700 O -43.64261 34.44233 46.36133 O -44.13963 32.22063 35.75700 O -43.28504 33.58417 35.75700 Si -46.36133 31.72361 37.07167 O -45.50317 31.36604 35.75700 Si -39.79039 34.44233 37.07167 O -40.14796 33.58417 35.75700 Si -43.64261 25.15267 37.07167 O -43.28504 26.01083 35.75700 Si -35.75700 38.28621 5.95950 O -37.07167 37.07167 4.03339 O -35.75700 39.29337 3.53637 O -35.75700 37.92983 4.39096 Si -45.14679 35.75700 5.95950 O -46.36133 37.07167 4.03339 O -44.13963 35.75700 3.53637 O -45.50317 35.75700 4.39096 Si -35.75700 45.14679 5.95950 O -46.36133 46.36133 4.03339 O -35.75700 44.13963 3.53637 O -35.75700 45.50317 4.39096 Si -38.28621 35.75700 5.95950 O -37.07167 46.36133 4.03339 O -39.29337 35.75700 3.53637 O -37.92983 35.75700 4.39096 Si -37.07167 46.36133 7.88561 O -35.75700 44.13963 8.38263 O -35.75700 45.50317 7.52804 Si -37.07167 37.07167 7.88561 O -39.29337 35.75700 8.38263 O -37.92983 35.75700 7.52804 Si -46.36133 37.07167 7.88561 O -35.75700 39.29337 8.38263 O -35.75700 37.92983 7.52804 Si -46.36133 46.36133 7.88561 O -44.13963 35.75700 8.38263 O -45.50317 35.75700 7.52804 Si -41.71650 35.75700 2.52921 O -39.79039 37.07167 1.31467 O -40.14796 35.75700 2.17283 Si -35.75700 41.71650 2.52921 O -46.36133 39.79039 1.31467 O -35.75700 40.14796 2.17283 Si -43.64261 46.36133 1.31467 O -43.28504 35.75700 2.17283 Si -37.07167 43.64261 1.31467 O -35.75700 43.28504 2.17283 Si -41.71650 35.75700 9.38979 O -39.79039 46.36133 10.60433 O -40.14796 35.75700 9.74617 Si -35.75700 41.71650 9.38979 O -37.07167 39.79039 10.60433 O -35.75700 40.14796 9.74617 Si -43.64261 37.07167 10.60433 O -43.28504 35.75700 9.74617 Si -46.36133 43.64261 10.60433 O -35.75700 43.28504 9.74617 Si -38.28621 41.71650 0.00000 O -37.07167 39.79039 1.31467 O -39.29337 39.29337 0.00000 O -37.92983 40.14796 0.00000 Si -37.07167 43.64261 10.60433 O -39.29337 44.13963 0.00000 O -37.92983 43.28504 0.00000 Si -41.71650 38.28621 0.00000 O -39.79039 37.07167 10.60433 O -40.14796 37.92983 0.00000 Si -45.14679 41.71650 0.00000 O -46.36133 39.79039 10.60433 O -44.13963 39.29337 0.00000 O -45.50317 40.14796 0.00000 Si -41.71650 45.14679 0.00000 O -43.64261 46.36133 10.60433 O -44.13963 44.13963 0.00000 O -43.28504 45.50317 0.00000 Si -46.36133 43.64261 1.31467 O -45.50317 43.28504 0.00000 Si -39.79039 46.36133 1.31467 O -40.14796 45.50317 0.00000 Si -43.64261 37.07167 1.31467 O -43.28504 37.92983 0.00000 Si -35.75700 38.28621 17.87850 O -37.07167 37.07167 15.95239 O -35.75700 39.29337 15.45537 O -35.75700 37.92983 16.30996 Si -45.14679 35.75700 17.87850 O -46.36133 37.07167 15.95239 O -44.13963 35.75700 15.45537 O -45.50317 35.75700 16.30996 Si -35.75700 45.14679 17.87850 O -46.36133 46.36133 15.95239 O -35.75700 44.13963 15.45537 O -35.75700 45.50317 16.30996 Si -38.28621 35.75700 17.87850 O -37.07167 46.36133 15.95239 O -39.29337 35.75700 15.45537 O -37.92983 35.75700 16.30996 Si -37.07167 46.36133 19.80461 O -35.75700 44.13963 20.30163 O -35.75700 45.50317 19.44704 Si -37.07167 37.07167 19.80461 O -39.29337 35.75700 20.30163 O -37.92983 35.75700 19.44704 Si -46.36133 37.07167 19.80461 O -35.75700 39.29337 20.30163 O -35.75700 37.92983 19.44704 Si -46.36133 46.36133 19.80461 O -44.13963 35.75700 20.30163 O -45.50317 35.75700 19.44704 Si -41.71650 35.75700 14.44821 O -39.79039 37.07167 13.23367 O -40.14796 35.75700 14.09183 Si -35.75700 41.71650 14.44821 O -46.36133 39.79039 13.23367 O -35.75700 40.14796 14.09183 Si -43.64261 46.36133 13.23367 O -43.28504 35.75700 14.09183 Si -37.07167 43.64261 13.23367 O -35.75700 43.28504 14.09183 Si -41.71650 35.75700 21.30879 O -39.79039 46.36133 22.52333 O -40.14796 35.75700 21.66517 Si -35.75700 41.71650 21.30879 O -37.07167 39.79039 22.52333 O -35.75700 40.14796 21.66517 Si -43.64261 37.07167 22.52333 O -43.28504 35.75700 21.66517 Si -46.36133 43.64261 22.52333 O -35.75700 43.28504 21.66517 Si -38.28621 41.71650 11.91900 O -37.07167 39.79039 13.23367 O -39.29337 39.29337 11.91900 O -37.92983 40.14796 11.91900 Si -37.07167 43.64261 22.52333 O -39.29337 44.13963 11.91900 O -37.92983 43.28504 11.91900 Si -41.71650 38.28621 11.91900 O -39.79039 37.07167 22.52333 O -40.14796 37.92983 11.91900 Si -45.14679 41.71650 11.91900 O -46.36133 39.79039 22.52333 O -44.13963 39.29337 11.91900 O -45.50317 40.14796 11.91900 Si -41.71650 45.14679 11.91900 O -43.64261 46.36133 22.52333 O -44.13963 44.13963 11.91900 O -43.28504 45.50317 11.91900 Si -46.36133 43.64261 13.23367 O -45.50317 43.28504 11.91900 Si -39.79039 46.36133 13.23367 O -40.14796 45.50317 11.91900 Si -43.64261 37.07167 13.23367 O -43.28504 37.92983 11.91900 Si -35.75700 38.28621 29.79750 O -37.07167 37.07167 27.87139 O -35.75700 39.29337 27.37437 O -35.75700 37.92983 28.22896 Si -45.14679 35.75700 29.79750 O -46.36133 37.07167 27.87139 O -44.13963 35.75700 27.37437 O -45.50317 35.75700 28.22896 Si -35.75700 45.14679 29.79750 O -46.36133 46.36133 27.87139 O -35.75700 44.13963 27.37437 O -35.75700 45.50317 28.22896 Si -38.28621 35.75700 29.79750 O -37.07167 46.36133 27.87139 O -39.29337 35.75700 27.37437 O -37.92983 35.75700 28.22896 Si -37.07167 46.36133 31.72361 O -35.75700 44.13963 32.22063 O -35.75700 45.50317 31.36604 Si -37.07167 37.07167 31.72361 O -39.29337 35.75700 32.22063 O -37.92983 35.75700 31.36604 Si -46.36133 37.07167 31.72361 O -35.75700 39.29337 32.22063 O -35.75700 37.92983 31.36604 Si -46.36133 46.36133 31.72361 O -44.13963 35.75700 32.22063 O -45.50317 35.75700 31.36604 Si -41.71650 35.75700 26.36721 O -39.79039 37.07167 25.15267 O -40.14796 35.75700 26.01083 Si -35.75700 41.71650 26.36721 O -46.36133 39.79039 25.15267 O -35.75700 40.14796 26.01083 Si -43.64261 46.36133 25.15267 O -43.28504 35.75700 26.01083 Si -37.07167 43.64261 25.15267 O -35.75700 43.28504 26.01083 Si -41.71650 35.75700 33.22779 O -39.79039 46.36133 34.44233 O -40.14796 35.75700 33.58417 Si -35.75700 41.71650 33.22779 O -37.07167 39.79039 34.44233 O -35.75700 40.14796 33.58417 Si -43.64261 37.07167 34.44233 O -43.28504 35.75700 33.58417 Si -46.36133 43.64261 34.44233 O -35.75700 43.28504 33.58417 Si -38.28621 41.71650 23.83800 O -37.07167 39.79039 25.15267 O -39.29337 39.29337 23.83800 O -37.92983 40.14796 23.83800 Si -37.07167 43.64261 34.44233 O -39.29337 44.13963 23.83800 O -37.92983 43.28504 23.83800 Si -41.71650 38.28621 23.83800 O -39.79039 37.07167 34.44233 O -40.14796 37.92983 23.83800 Si -45.14679 41.71650 23.83800 O -46.36133 39.79039 34.44233 O -44.13963 39.29337 23.83800 O -45.50317 40.14796 23.83800 Si -41.71650 45.14679 23.83800 O -43.64261 46.36133 34.44233 O -44.13963 44.13963 23.83800 O -43.28504 45.50317 23.83800 Si -46.36133 43.64261 25.15267 O -45.50317 43.28504 23.83800 Si -39.79039 46.36133 25.15267 O -40.14796 45.50317 23.83800 Si -43.64261 37.07167 25.15267 O -43.28504 37.92983 23.83800 Si -35.75700 38.28621 41.71650 O -37.07167 37.07167 39.79039 O -35.75700 39.29337 39.29337 O -35.75700 37.92983 40.14796 Si -45.14679 35.75700 41.71650 O -46.36133 37.07167 39.79039 O -44.13963 35.75700 39.29337 O -45.50317 35.75700 40.14796 Si -35.75700 45.14679 41.71650 O -46.36133 46.36133 39.79039 O -35.75700 44.13963 39.29337 O -35.75700 45.50317 40.14796 Si -38.28621 35.75700 41.71650 O -37.07167 46.36133 39.79039 O -39.29337 35.75700 39.29337 O -37.92983 35.75700 40.14796 Si -37.07167 46.36133 43.64261 O -35.75700 44.13963 44.13963 O -35.75700 45.50317 43.28504 Si -37.07167 37.07167 43.64261 O -39.29337 35.75700 44.13963 O -37.92983 35.75700 43.28504 Si -46.36133 37.07167 43.64261 O -35.75700 39.29337 44.13963 O -35.75700 37.92983 43.28504 Si -46.36133 46.36133 43.64261 O -44.13963 35.75700 44.13963 O -45.50317 35.75700 43.28504 Si -41.71650 35.75700 38.28621 O -39.79039 37.07167 37.07167 O -40.14796 35.75700 37.92983 Si -35.75700 41.71650 38.28621 O -46.36133 39.79039 37.07167 O -35.75700 40.14796 37.92983 Si -43.64261 46.36133 37.07167 O -43.28504 35.75700 37.92983 Si -37.07167 43.64261 37.07167 O -35.75700 43.28504 37.92983 Si -41.71650 35.75700 45.14679 O -39.79039 46.36133 46.36133 O -40.14796 35.75700 45.50317 Si -35.75700 41.71650 45.14679 O -37.07167 39.79039 46.36133 O -35.75700 40.14796 45.50317 Si -43.64261 37.07167 46.36133 O -43.28504 35.75700 45.50317 Si -46.36133 43.64261 46.36133 O -35.75700 43.28504 45.50317 Si -38.28621 41.71650 35.75700 O -37.07167 39.79039 37.07167 O -39.29337 39.29337 35.75700 O -37.92983 40.14796 35.75700 Si -37.07167 43.64261 46.36133 O -39.29337 44.13963 35.75700 O -37.92983 43.28504 35.75700 Si -41.71650 38.28621 35.75700 O -39.79039 37.07167 46.36133 O -40.14796 37.92983 35.75700 Si -45.14679 41.71650 35.75700 O -46.36133 39.79039 46.36133 O -44.13963 39.29337 35.75700 O -45.50317 40.14796 35.75700 Si -41.71650 45.14679 35.75700 O -43.64261 46.36133 46.36133 O -44.13963 44.13963 35.75700 O -43.28504 45.50317 35.75700 Si -46.36133 43.64261 37.07167 O -45.50317 43.28504 35.75700 Si -39.79039 46.36133 37.07167 O -40.14796 45.50317 35.75700 Si -43.64261 37.07167 37.07167 O -43.28504 37.92983 35.75700 Si diff --git a/examples/pcsaft/structure_parameters/MFI.nml b/examples/pcsaft/structure_parameters/MFI.nml deleted file mode 100755 index d643bae1f..000000000 --- a/examples/pcsaft/structure_parameters/MFI.nml +++ /dev/null @@ -1,3456 +0,0 @@ - 10.06911 1.37969 9.22306 O - 7.78488 1.46653 10.52411 O - 8.02595 2.69621 8.21506 O - 7.97975 0.06711 8.31363 O - 6.60961 0.75991 12.77665 O - 6.62367 18.85966 10.71730 O - 5.16514 1.30863 10.65291 O - 5.84619 2.55804 1.39305 O - 4.08631 0.89808 0.36141 O - 5.89842 0.01974 2.05541 O - 2.15968 2.49686 1.16044 O - 1.69961 0.73031 12.40999 O - 2.61371 1.54154 10.07991 O - 1.46255 18.92677 10.29281 O - 4.42181 2.59160 8.48448 O - 9.86620 16.87204 9.42150 O - 7.39513 16.40425 10.17585 O - 8.56437 14.80350 8.45162 O - 6.46295 16.99639 12.56507 O - 4.84169 16.93915 10.50046 O - 5.91249 14.80350 0.76092 O - 3.96978 16.40820 0.00394 O - 1.90453 14.80350 0.26941 O - 1.62528 17.11285 12.18920 O - 2.36459 16.52071 9.73297 O - 4.25104 14.80350 9.08506 O - 8.46593 1.40337 9.06535 Si - 6.54733 0.66320 11.17070 Si - 5.60913 1.05796 0.86080 Si - 2.50321 1.01453 0.63213 Si - 1.44849 0.71057 10.81981 Si - 4.08631 1.35600 9.45830 Si - 8.42776 16.33122 8.94313 Si - 6.33237 17.30036 10.98803 Si - 5.49060 16.33912 0.52831 Si - 2.38067 16.34109 0.24050 Si - 1.31991 17.35760 10.62794 Si - 3.91152 16.35885 9.32031 Si - 20.06589 18.35831 2.65206 O - 2.26013 18.27147 3.95311 O - 2.01905 17.04179 1.64406 O - 2.06525 19.67089 1.74263 O - 3.43539 18.97809 6.20565 O - 3.42133 0.87834 4.14630 O - 4.87986 18.42937 4.08191 O - 4.19881 17.17996 7.96405 O - 5.95869 18.83992 6.93240 O - 4.14658 19.71826 8.62641 O - 7.88533 17.24114 7.73144 O - 8.34539 19.00769 5.83899 O - 7.43129 18.19646 3.50891 O - 8.58245 0.81123 3.72181 O - 5.62319 17.14640 1.91348 O - 0.17880 2.86596 2.85050 O - 2.64987 3.33375 3.60485 O - 1.48063 4.93450 1.88062 O - 3.58205 2.74161 5.99407 O - 5.20331 2.79885 3.92946 O - 4.13251 4.93450 7.33192 O - 6.07522 3.32980 6.57494 O - 8.14047 4.93450 6.84041 O - 8.41972 2.62515 5.61820 O - 7.68041 3.21729 3.16197 O - 5.79396 4.93450 2.51406 O - 1.57907 18.33463 2.49435 Si - 3.49767 19.07480 4.59970 Si - 4.43587 18.68004 7.43180 Si - 7.54179 18.72347 7.20313 Si - 8.59651 19.02743 4.24881 Si - 5.95869 18.38200 2.88730 Si - 1.61725 3.40678 2.37213 Si - 3.71263 2.43764 4.41703 Si - 4.55440 3.39888 7.09931 Si - 7.66434 3.39691 6.81150 Si - 8.72509 2.38040 4.05694 Si - 6.13348 3.37915 2.74931 Si - 0.02411 8.48931 10.48994 O - 17.82987 8.40247 9.18889 O - 18.07095 7.17279 11.49794 O - 18.02475 9.80189 11.39937 O - 16.65461 9.10909 6.93635 O - 16.66867 10.74734 8.99570 O - 15.21014 8.56037 9.06009 O - 15.89119 7.31096 5.17795 O - 14.13131 8.97092 6.20960 O - 15.94342 9.84926 4.51559 O - 12.20467 7.37214 5.41056 O - 11.74461 9.13869 7.30301 O - 12.65871 8.32746 9.63309 O - 11.50755 10.68023 9.42019 O - 14.46681 7.27740 11.22852 O - 19.91120 12.73496 10.29150 O - 17.44013 13.20275 9.53715 O - 18.60937 14.80350 11.26138 O - 16.50795 12.61061 7.14793 O - 14.88669 12.66785 9.21254 O - 15.95749 14.80350 5.81008 O - 14.01478 13.19880 6.56706 O - 11.94953 14.80350 6.30159 O - 11.67028 12.49415 7.52379 O - 12.40959 13.08629 9.98003 O - 14.29604 14.80350 10.62794 O - 18.51093 8.46563 10.64765 Si - 16.59233 9.20580 8.54230 Si - 15.65413 8.81104 5.71020 Si - 12.54821 8.85447 5.93887 Si - 11.49349 9.15843 8.89319 Si - 14.13131 8.51300 10.25470 Si - 18.47275 13.27578 10.76987 Si - 16.37737 12.30664 8.72497 Si - 15.53560 13.26788 6.04269 Si - 12.42567 13.26591 6.33050 Si - 11.36491 12.24940 9.08506 Si - 13.95652 13.24815 10.39269 Si - 10.02089 11.24869 3.91894 O - 12.30513 11.33553 2.61789 O - 12.06405 12.56521 4.92694 O - 12.11025 9.93611 4.82837 O - 13.48039 10.62891 0.36535 O - 13.46633 8.99066 2.42470 O - 14.92486 11.17763 2.48909 O - 14.24381 12.42704 11.74895 O - 16.00369 10.76708 12.78059 O - 14.19158 9.88874 11.08659 O - 17.93032 12.36586 11.98156 O - 18.39039 10.59931 0.73201 O - 17.47629 11.41054 3.06209 O - 18.62745 9.05777 2.84919 O - 15.66819 12.46060 4.65752 O - 10.22380 7.00304 3.72050 O - 12.69487 6.53525 2.96615 O - 11.52563 4.93450 4.69038 O - 13.62705 7.12739 0.57693 O - 15.24831 7.07015 2.64154 O - 14.17751 4.93450 12.38108 O - 16.12022 6.53920 13.13806 O - 18.18547 4.93450 12.87259 O - 18.46472 7.24385 0.95280 O - 17.72541 6.65171 3.40903 O - 15.83896 4.93450 4.05694 O - 11.62407 11.27237 4.07665 Si - 13.54267 10.53220 1.97130 Si - 14.48087 10.92696 12.28120 Si - 17.58679 10.88353 12.50987 Si - 18.64151 10.57957 2.32219 Si - 16.00369 11.22500 3.68370 Si - 11.66225 6.46222 4.19887 Si - 13.75763 7.43136 2.15397 Si - 14.59940 6.47012 12.61369 Si - 17.70933 6.47209 12.90150 Si - 18.77009 7.48860 2.51406 Si - 16.17848 6.48985 3.82169 Si - 10.02089 18.35831 3.91894 O - 12.30513 18.27147 2.61789 O - 12.06405 17.04179 4.92694 O - 12.11025 19.67089 4.82837 O - 13.48039 18.97809 0.36535 O - 13.46633 0.87834 2.42470 O - 14.92486 18.42937 2.48909 O - 14.24381 17.17996 11.74895 O - 16.00369 18.83992 12.78059 O - 14.19158 19.71826 11.08659 O - 17.93032 17.24114 11.98156 O - 18.39039 19.00769 0.73201 O - 17.47629 18.19646 3.06209 O - 18.62745 0.81123 2.84919 O - 15.66819 17.14640 4.65752 O - 10.22380 2.86596 3.72050 O - 12.69487 3.33375 2.96615 O - 13.62705 2.74161 0.57693 O - 15.24831 2.79885 2.64154 O - 16.12022 3.32980 13.13806 O - 18.46472 2.62515 0.95280 O - 17.72541 3.21729 3.40903 O - 11.62407 18.33463 4.07665 Si - 13.54267 19.07480 1.97130 Si - 14.48087 18.68004 12.28120 Si - 17.58679 18.72347 12.50987 Si - 18.64151 19.02743 2.32219 Si - 16.00369 18.38200 3.68370 Si - 11.66225 3.40678 4.19887 Si - 13.75763 2.43764 2.15397 Si - 14.59940 3.39888 12.61369 Si - 17.70933 3.39691 12.90150 Si - 18.77009 2.38040 2.51406 Si - 16.17848 3.37915 3.82169 Si - 0.02411 1.37969 10.48994 O - 17.82987 1.46653 9.18889 O - 18.07095 2.69621 11.49794 O - 18.02475 0.06711 11.39937 O - 16.65461 0.75991 6.93635 O - 16.66867 18.85966 8.99570 O - 15.21014 1.30863 9.06009 O - 15.89119 2.55804 5.17795 O - 14.13131 0.89808 6.20960 O - 15.94342 0.01974 4.51559 O - 12.20467 2.49686 5.41056 O - 11.74461 0.73031 7.30301 O - 12.65871 1.54154 9.63309 O - 11.50755 18.92677 9.42019 O - 14.46681 2.59160 11.22852 O - 19.91120 16.87204 10.29150 O - 17.44013 16.40425 9.53715 O - 16.50795 16.99639 7.14793 O - 14.88669 16.93915 9.21254 O - 14.01478 16.40820 6.56706 O - 11.67028 17.11285 7.52379 O - 12.40959 16.52071 9.98003 O - 18.51093 1.40337 10.64765 Si - 16.59233 0.66320 8.54230 Si - 15.65413 1.05796 5.71020 Si - 12.54821 1.01453 5.93887 Si - 11.49349 0.71057 8.89319 Si - 14.13131 1.35600 10.25470 Si - 18.47275 16.33122 10.76987 Si - 16.37737 17.30036 8.72497 Si - 15.53560 16.33912 6.04269 Si - 12.42567 16.34109 6.33050 Si - 11.36491 17.35760 9.08506 Si - 13.95652 16.35885 10.39269 Si - 20.06589 11.24869 2.65206 O - 2.26013 11.33553 3.95311 O - 2.01905 12.56521 1.64406 O - 2.06525 9.93611 1.74263 O - 3.43539 10.62891 6.20565 O - 3.42133 8.99066 4.14630 O - 4.87986 11.17763 4.08191 O - 4.19881 12.42704 7.96405 O - 5.95869 10.76708 6.93241 O - 4.14658 9.88874 8.62641 O - 7.88533 12.36586 7.73144 O - 8.34539 10.59931 5.83899 O - 7.43129 11.41054 3.50891 O - 8.58245 9.05777 3.72181 O - 5.62319 12.46060 1.91348 O - 0.17880 7.00304 2.85050 O - 2.64987 6.53525 3.60485 O - 3.58205 7.12739 5.99407 O - 5.20331 7.07015 3.92946 O - 6.07522 6.53920 6.57494 O - 8.41972 7.24385 5.61820 O - 7.68041 6.65171 3.16197 O - 1.57907 11.27237 2.49435 Si - 3.49767 10.53220 4.59970 Si - 4.43587 10.92696 7.43180 Si - 7.54179 10.88353 7.20313 Si - 8.59651 10.57957 4.24881 Si - 5.95869 11.22500 2.88730 Si - 1.61725 6.46222 2.37213 Si - 3.71263 7.43136 4.41703 Si - 4.55440 6.47012 7.09931 Si - 7.66433 6.47209 6.81150 Si - 8.72509 7.48860 4.05694 Si - 6.13348 6.48985 2.74931 Si - 10.06911 8.48931 9.22306 O - 7.78488 8.40247 10.52411 O - 8.02595 7.17279 8.21506 O - 7.97975 9.80189 8.31363 O - 6.60961 9.10909 12.77665 O - 6.62367 10.74734 10.71730 O - 5.16514 8.56037 10.65291 O - 5.84619 7.31096 1.39305 O - 4.08631 8.97092 0.36141 O - 5.89842 9.84926 2.05541 O - 2.15968 7.37214 1.16044 O - 1.69961 9.13869 12.40999 O - 2.61371 8.32746 10.07991 O - 1.46255 10.68023 10.29281 O - 4.42181 7.27740 8.48448 O - 9.86620 12.73496 9.42150 O - 7.39513 13.20275 10.17585 O - 6.46295 12.61061 12.56507 O - 4.84169 12.66785 10.50046 O - 3.96978 13.19880 0.00394 O - 1.62528 12.49415 12.18920 O - 2.36459 13.08629 9.73297 O - 8.46593 8.46563 9.06535 Si - 6.54733 9.20580 11.17070 Si - 5.60913 8.81104 0.86080 Si - 2.50321 8.85447 0.63213 Si - 1.44849 9.15843 10.81981 Si - 4.08631 8.51300 9.45830 Si - 8.42775 13.27578 8.94313 Si - 6.33237 12.30664 10.98803 Si - 5.49060 13.26788 0.52831 Si - 2.38067 13.26591 0.24050 Si - 1.31991 12.24940 10.62794 Si - 3.91152 13.24815 9.32031 Si - 10.06911 1.37969 22.36506 O - 7.78488 1.46653 23.66611 O - 8.02596 2.69621 21.35706 O - 7.97975 0.06711 21.45563 O - 6.60961 0.75991 25.91865 O - 6.62367 18.85966 23.85930 O - 5.16514 1.30863 23.79491 O - 5.84619 2.55804 14.53505 O - 4.08631 0.89808 13.50341 O - 5.89842 0.01974 15.19741 O - 2.15968 2.49686 14.30244 O - 1.69961 0.73031 25.55199 O - 2.61371 1.54154 23.22191 O - 1.46255 18.92677 23.43481 O - 4.42181 2.59160 21.62648 O - 9.86620 16.87204 22.56350 O - 7.39513 16.40425 23.31785 O - 8.56437 14.80350 21.59362 O - 6.46295 16.99639 25.70707 O - 4.84169 16.93915 23.64246 O - 5.91249 14.80350 13.90292 O - 3.96978 16.40820 13.14594 O - 1.90453 14.80350 13.41141 O - 1.62528 17.11285 25.33121 O - 2.36459 16.52071 22.87497 O - 4.25104 14.80350 22.22706 O - 8.46593 1.40337 22.20735 Si - 6.54733 0.66320 24.31270 Si - 5.60913 1.05796 14.00280 Si - 2.50321 1.01453 13.77413 Si - 1.44849 0.71057 23.96181 Si - 4.08631 1.35600 22.60030 Si - 8.42776 16.33122 22.08513 Si - 6.33237 17.30036 24.13003 Si - 5.49060 16.33912 13.67031 Si - 2.38067 16.34109 13.38250 Si - 1.31991 17.35760 23.76994 Si - 3.91152 16.35885 22.46231 Si - 20.06589 18.35831 15.79406 O - 2.26013 18.27147 17.09511 O - 2.01905 17.04179 14.78606 O - 2.06525 19.67089 14.88463 O - 3.43539 18.97809 19.34765 O - 3.42133 0.87834 17.28830 O - 4.87986 18.42937 17.22391 O - 4.19881 17.17996 21.10605 O - 5.95869 18.83992 20.07441 O - 4.14658 19.71826 21.76841 O - 7.88533 17.24114 20.87344 O - 8.34539 19.00769 18.98099 O - 7.43129 18.19646 16.65091 O - 8.58245 0.81123 16.86381 O - 5.62319 17.14640 15.05548 O - 0.17880 2.86596 15.99250 O - 2.64987 3.33375 16.74685 O - 1.48063 4.93450 15.02262 O - 3.58205 2.74161 19.13607 O - 5.20331 2.79885 17.07146 O - 4.13251 4.93450 20.47392 O - 6.07522 3.32980 19.71694 O - 8.14047 4.93450 19.98241 O - 8.41972 2.62515 18.76020 O - 7.68041 3.21729 16.30397 O - 5.79396 4.93450 15.65606 O - 1.57907 18.33463 15.63635 Si - 3.49767 19.07480 17.74170 Si - 4.43587 18.68004 20.57380 Si - 7.54179 18.72347 20.34513 Si - 8.59651 19.02743 17.39081 Si - 5.95869 18.38200 16.02930 Si - 1.61725 3.40678 15.51413 Si - 3.71263 2.43764 17.55903 Si - 4.55440 3.39888 20.24131 Si - 7.66434 3.39691 19.95350 Si - 8.72509 2.38040 17.19894 Si - 6.13348 3.37915 15.89131 Si - 0.02411 8.48931 23.63194 O - 17.82987 8.40247 22.33089 O - 18.07095 7.17279 24.63994 O - 18.02475 9.80189 24.54137 O - 16.65461 9.10909 20.07835 O - 16.66867 10.74734 22.13770 O - 15.21014 8.56037 22.20209 O - 15.89119 7.31096 18.31995 O - 14.13131 8.97092 19.35159 O - 15.94342 9.84926 17.65759 O - 12.20468 7.37214 18.55256 O - 11.74461 9.13869 20.44501 O - 12.65871 8.32746 22.77509 O - 11.50755 10.68023 22.56219 O - 14.46681 7.27740 24.37052 O - 19.91120 12.73496 23.43350 O - 17.44013 13.20275 22.67915 O - 18.60937 14.80350 24.40338 O - 16.50795 12.61061 20.28993 O - 14.88669 12.66785 22.35454 O - 15.95749 14.80350 18.95208 O - 14.01478 13.19880 19.70906 O - 11.94953 14.80350 19.44359 O - 11.67028 12.49415 20.66580 O - 12.40959 13.08629 23.12203 O - 14.29604 14.80350 23.76994 O - 18.51093 8.46563 23.78965 Si - 16.59233 9.20580 21.68430 Si - 15.65413 8.81104 18.85220 Si - 12.54821 8.85447 19.08087 Si - 11.49349 9.15843 22.03519 Si - 14.13131 8.51300 23.39670 Si - 18.47275 13.27578 23.91187 Si - 16.37737 12.30664 21.86697 Si - 15.53560 13.26788 19.18469 Si - 12.42567 13.26591 19.47250 Si - 11.36491 12.24940 22.22706 Si - 13.95652 13.24815 23.53469 Si - 10.02089 11.24869 17.06094 O - 12.30513 11.33553 15.75989 O - 12.06405 12.56521 18.06894 O - 12.11025 9.93611 17.97037 O - 13.48039 10.62891 13.50735 O - 13.46633 8.99066 15.56670 O - 14.92486 11.17763 15.63109 O - 14.24381 12.42704 24.89095 O - 16.00369 10.76708 25.92260 O - 14.19158 9.88874 24.22859 O - 17.93032 12.36586 25.12356 O - 18.39039 10.59931 13.87401 O - 17.47629 11.41054 16.20409 O - 18.62745 9.05777 15.99119 O - 15.66819 12.46060 17.79952 O - 10.22380 7.00304 16.86250 O - 12.69487 6.53525 16.10815 O - 11.52563 4.93450 17.83238 O - 13.62705 7.12739 13.71893 O - 15.24831 7.07015 15.78354 O - 14.17751 4.93450 25.52308 O - 16.12022 6.53920 26.28006 O - 18.18547 4.93450 26.01459 O - 18.46472 7.24385 14.09479 O - 17.72541 6.65171 16.55103 O - 15.83896 4.93450 17.19894 O - 11.62407 11.27237 17.21865 Si - 13.54267 10.53220 15.11330 Si - 14.48087 10.92696 25.42320 Si - 17.58679 10.88353 25.65187 Si - 18.64151 10.57957 15.46419 Si - 16.00369 11.22500 16.82570 Si - 11.66225 6.46222 17.34087 Si - 13.75763 7.43136 15.29597 Si - 14.59940 6.47012 25.75569 Si - 17.70933 6.47209 26.04350 Si - 18.77009 7.48860 15.65606 Si - 16.17848 6.48985 16.96369 Si - 10.02089 18.35831 17.06094 O - 12.30513 18.27147 15.75989 O - 12.06405 17.04179 18.06894 O - 12.11025 19.67089 17.97037 O - 13.48039 18.97809 13.50735 O - 13.46633 0.87834 15.56670 O - 14.92486 18.42937 15.63109 O - 14.24381 17.17996 24.89095 O - 16.00369 18.83992 25.92260 O - 14.19158 19.71826 24.22859 O - 17.93032 17.24114 25.12356 O - 18.39039 19.00769 13.87401 O - 17.47629 18.19646 16.20409 O - 18.62745 0.81123 15.99119 O - 15.66819 17.14640 17.79952 O - 10.22380 2.86596 16.86250 O - 12.69487 3.33375 16.10815 O - 13.62705 2.74161 13.71893 O - 15.24831 2.79885 15.78354 O - 16.12022 3.32980 26.28006 O - 18.46472 2.62515 14.09479 O - 17.72541 3.21729 16.55103 O - 11.62407 18.33463 17.21865 Si - 13.54267 19.07480 15.11330 Si - 14.48087 18.68004 25.42320 Si - 17.58679 18.72347 25.65187 Si - 18.64151 19.02743 15.46419 Si - 16.00369 18.38200 16.82570 Si - 11.66225 3.40678 17.34087 Si - 13.75763 2.43764 15.29597 Si - 14.59940 3.39888 25.75569 Si - 17.70933 3.39691 26.04350 Si - 18.77009 2.38040 15.65606 Si - 16.17848 3.37915 16.96369 Si - 0.02411 1.37969 23.63194 O - 17.82987 1.46653 22.33089 O - 18.07095 2.69621 24.63994 O - 18.02475 0.06711 24.54137 O - 16.65461 0.75991 20.07835 O - 16.66867 18.85966 22.13770 O - 15.21014 1.30863 22.20209 O - 15.89119 2.55804 18.31995 O - 14.13131 0.89808 19.35160 O - 15.94342 0.01974 17.65759 O - 12.20467 2.49686 18.55256 O - 11.74461 0.73031 20.44501 O - 12.65871 1.54154 22.77509 O - 11.50755 18.92677 22.56219 O - 14.46681 2.59160 24.37052 O - 19.91120 16.87204 23.43350 O - 17.44013 16.40425 22.67915 O - 16.50795 16.99639 20.28993 O - 14.88669 16.93915 22.35454 O - 14.01478 16.40820 19.70906 O - 11.67028 17.11285 20.66580 O - 12.40959 16.52071 23.12203 O - 18.51093 1.40337 23.78965 Si - 16.59233 0.66320 21.68430 Si - 15.65413 1.05796 18.85220 Si - 12.54821 1.01453 19.08087 Si - 11.49349 0.71057 22.03519 Si - 14.13131 1.35600 23.39670 Si - 18.47275 16.33122 23.91187 Si - 16.37737 17.30036 21.86697 Si - 15.53560 16.33912 19.18469 Si - 12.42567 16.34109 19.47250 Si - 11.36491 17.35760 22.22706 Si - 13.95652 16.35885 23.53469 Si - 20.06589 11.24869 15.79406 O - 2.26013 11.33553 17.09511 O - 2.01905 12.56521 14.78606 O - 2.06525 9.93611 14.88463 O - 3.43539 10.62891 19.34765 O - 3.42133 8.99066 17.28830 O - 4.87986 11.17763 17.22391 O - 4.19881 12.42704 21.10605 O - 5.95869 10.76708 20.07441 O - 4.14658 9.88874 21.76841 O - 7.88533 12.36586 20.87344 O - 8.34539 10.59931 18.98099 O - 7.43129 11.41054 16.65091 O - 8.58245 9.05777 16.86381 O - 5.62319 12.46060 15.05548 O - 0.17880 7.00304 15.99250 O - 2.64987 6.53525 16.74685 O - 3.58205 7.12739 19.13607 O - 5.20331 7.07015 17.07146 O - 6.07522 6.53920 19.71694 O - 8.41972 7.24385 18.76020 O - 7.68041 6.65171 16.30397 O - 1.57907 11.27237 15.63635 Si - 3.49767 10.53220 17.74170 Si - 4.43587 10.92696 20.57380 Si - 7.54179 10.88353 20.34513 Si - 8.59651 10.57957 17.39081 Si - 5.95869 11.22500 16.02930 Si - 1.61725 6.46222 15.51413 Si - 3.71263 7.43136 17.55903 Si - 4.55440 6.47012 20.24131 Si - 7.66433 6.47209 19.95350 Si - 8.72509 7.48860 17.19894 Si - 6.13348 6.48985 15.89131 Si - 10.06911 8.48931 22.36506 O - 7.78488 8.40247 23.66611 O - 8.02596 7.17279 21.35706 O - 7.97975 9.80189 21.45563 O - 6.60961 9.10909 25.91865 O - 6.62367 10.74734 23.85930 O - 5.16514 8.56037 23.79491 O - 5.84619 7.31096 14.53505 O - 4.08631 8.97092 13.50341 O - 5.89842 9.84926 15.19741 O - 2.15968 7.37214 14.30244 O - 1.69961 9.13869 25.55199 O - 2.61371 8.32746 23.22191 O - 1.46255 10.68023 23.43481 O - 4.42181 7.27740 21.62648 O - 9.86620 12.73496 22.56350 O - 7.39513 13.20275 23.31785 O - 6.46295 12.61061 25.70707 O - 4.84169 12.66785 23.64246 O - 3.96978 13.19880 13.14594 O - 1.62528 12.49415 25.33121 O - 2.36459 13.08629 22.87497 O - 8.46593 8.46563 22.20735 Si - 6.54733 9.20580 24.31270 Si - 5.60913 8.81104 14.00280 Si - 2.50321 8.85447 13.77413 Si - 1.44849 9.15843 23.96181 Si - 4.08631 8.51300 22.60030 Si - 8.42776 13.27578 22.08513 Si - 6.33237 12.30664 24.13003 Si - 5.49060 13.26788 13.67031 Si - 2.38067 13.26591 13.38250 Si - 1.31991 12.24940 23.76994 Si - 3.91152 13.24815 22.46231 Si - 10.06911 1.37969 35.50706 O - 7.78488 1.46653 36.80811 O - 8.02596 2.69621 34.49906 O - 7.97975 0.06711 34.59763 O - 6.60961 0.75991 39.06065 O - 6.62367 18.85966 37.00130 O - 5.16514 1.30863 36.93691 O - 5.84619 2.55804 27.67705 O - 4.08631 0.89808 26.64541 O - 5.89842 0.01974 28.33941 O - 2.15968 2.49686 27.44444 O - 1.69961 0.73031 38.69399 O - 2.61371 1.54154 36.36391 O - 1.46255 18.92677 36.57681 O - 4.42181 2.59160 34.76848 O - 9.86620 16.87204 35.70550 O - 7.39513 16.40425 36.45985 O - 8.56437 14.80350 34.73562 O - 6.46295 16.99639 38.84907 O - 4.84169 16.93915 36.78446 O - 5.91249 14.80350 27.04492 O - 3.96978 16.40820 26.28794 O - 1.90453 14.80350 26.55341 O - 1.62528 17.11285 38.47321 O - 2.36459 16.52071 36.01697 O - 4.25104 14.80350 35.36906 O - 8.46593 1.40337 35.34935 Si - 6.54733 0.66320 37.45470 Si - 5.60913 1.05796 27.14480 Si - 2.50321 1.01453 26.91613 Si - 1.44849 0.71057 37.10381 Si - 4.08631 1.35600 35.74230 Si - 8.42776 16.33122 35.22713 Si - 6.33237 17.30036 37.27203 Si - 5.49060 16.33912 26.81231 Si - 2.38067 16.34109 26.52450 Si - 1.31991 17.35760 36.91194 Si - 3.91152 16.35885 35.60431 Si - 20.06589 18.35831 28.93606 O - 2.26013 18.27147 30.23711 O - 2.01905 17.04179 27.92806 O - 2.06525 19.67089 28.02663 O - 3.43539 18.97809 32.48965 O - 3.42133 0.87834 30.43030 O - 4.87986 18.42937 30.36591 O - 4.19881 17.17996 34.24805 O - 5.95869 18.83992 33.21641 O - 4.14658 19.71826 34.91041 O - 7.88533 17.24114 34.01544 O - 8.34539 19.00769 32.12299 O - 7.43129 18.19646 29.79291 O - 8.58245 0.81123 30.00581 O - 5.62319 17.14640 28.19748 O - 0.17880 2.86596 29.13450 O - 2.64987 3.33375 29.88885 O - 1.48063 4.93450 28.16462 O - 3.58205 2.74161 32.27807 O - 5.20331 2.79885 30.21346 O - 4.13251 4.93450 33.61592 O - 6.07522 3.32980 32.85894 O - 8.14047 4.93450 33.12441 O - 8.41972 2.62515 31.90221 O - 7.68041 3.21729 29.44597 O - 5.79396 4.93450 28.79806 O - 1.57907 18.33463 28.77835 Si - 3.49767 19.07480 30.88370 Si - 4.43587 18.68004 33.71580 Si - 7.54179 18.72347 33.48713 Si - 8.59651 19.02743 30.53281 Si - 5.95869 18.38200 29.17130 Si - 1.61725 3.40678 28.65613 Si - 3.71263 2.43764 30.70103 Si - 4.55440 3.39888 33.38331 Si - 7.66434 3.39691 33.09550 Si - 8.72509 2.38040 30.34094 Si - 6.13348 3.37915 29.03331 Si - 0.02411 8.48931 36.77394 O - 17.82988 8.40247 35.47289 O - 18.07096 7.17279 37.78194 O - 18.02475 9.80189 37.68337 O - 16.65461 9.10909 33.22035 O - 16.66867 10.74734 35.27970 O - 15.21014 8.56037 35.34409 O - 15.89119 7.31096 31.46195 O - 14.13131 8.97092 32.49360 O - 15.94342 9.84926 30.79959 O - 12.20468 7.37214 31.69456 O - 11.74461 9.13869 33.58701 O - 12.65871 8.32746 35.91709 O - 11.50755 10.68023 35.70419 O - 14.46681 7.27740 37.51252 O - 19.91120 12.73496 36.57550 O - 17.44013 13.20275 35.82115 O - 18.60937 14.80350 37.54538 O - 16.50795 12.61061 33.43193 O - 14.88669 12.66785 35.49654 O - 15.95749 14.80350 32.09408 O - 14.01478 13.19880 32.85106 O - 11.94953 14.80350 32.58559 O - 11.67028 12.49415 33.80779 O - 12.40959 13.08629 36.26403 O - 14.29604 14.80350 36.91194 O - 18.51093 8.46563 36.93165 Si - 16.59233 9.20580 34.82630 Si - 15.65413 8.81104 31.99420 Si - 12.54821 8.85447 32.22287 Si - 11.49349 9.15843 35.17719 Si - 14.13131 8.51300 36.53870 Si - 18.47276 13.27578 37.05387 Si - 16.37737 12.30664 35.00897 Si - 15.53560 13.26788 32.32669 Si - 12.42567 13.26591 32.61450 Si - 11.36491 12.24940 35.36906 Si - 13.95652 13.24815 36.67669 Si - 10.02089 11.24869 30.20294 O - 12.30513 11.33553 28.90189 O - 12.06405 12.56521 31.21094 O - 12.11025 9.93611 31.11237 O - 13.48039 10.62891 26.64935 O - 13.46633 8.99066 28.70870 O - 14.92486 11.17763 28.77309 O - 14.24381 12.42704 38.03295 O - 16.00369 10.76708 39.06460 O - 14.19158 9.88874 37.37059 O - 17.93033 12.36586 38.26556 O - 18.39039 10.59931 27.01601 O - 17.47629 11.41054 29.34609 O - 18.62745 9.05777 29.13319 O - 15.66819 12.46060 30.94152 O - 10.22380 7.00304 30.00450 O - 12.69487 6.53525 29.25015 O - 11.52563 4.93450 30.97438 O - 13.62705 7.12739 26.86093 O - 15.24831 7.07015 28.92554 O - 14.17751 4.93450 38.66508 O - 16.12022 6.53920 39.42206 O - 18.18547 4.93450 39.15659 O - 18.46472 7.24385 27.23680 O - 17.72541 6.65171 29.69303 O - 15.83896 4.93450 30.34094 O - 11.62407 11.27237 30.36065 Si - 13.54267 10.53220 28.25530 Si - 14.48087 10.92696 38.56520 Si - 17.58679 10.88353 38.79387 Si - 18.64151 10.57957 28.60619 Si - 16.00369 11.22500 29.96770 Si - 11.66225 6.46222 30.48287 Si - 13.75763 7.43136 28.43797 Si - 14.59940 6.47012 38.89769 Si - 17.70934 6.47209 39.18550 Si - 18.77009 7.48860 28.79806 Si - 16.17848 6.48985 30.10569 Si - 10.02089 18.35831 30.20294 O - 12.30513 18.27147 28.90189 O - 12.06405 17.04179 31.21094 O - 12.11025 19.67089 31.11237 O - 13.48039 18.97809 26.64935 O - 13.46633 0.87834 28.70870 O - 14.92486 18.42937 28.77309 O - 14.24381 17.17996 38.03295 O - 16.00369 18.83992 39.06460 O - 14.19158 19.71826 37.37059 O - 17.93033 17.24114 38.26556 O - 18.39039 19.00769 27.01601 O - 17.47629 18.19646 29.34609 O - 18.62745 0.81123 29.13319 O - 15.66819 17.14640 30.94152 O - 10.22380 2.86596 30.00450 O - 12.69487 3.33375 29.25015 O - 13.62705 2.74161 26.86093 O - 15.24831 2.79885 28.92554 O - 16.12022 3.32980 39.42206 O - 18.46472 2.62515 27.23680 O - 17.72541 3.21729 29.69303 O - 11.62407 18.33463 30.36065 Si - 13.54267 19.07480 28.25530 Si - 14.48087 18.68004 38.56520 Si - 17.58679 18.72347 38.79387 Si - 18.64151 19.02743 28.60619 Si - 16.00369 18.38200 29.96770 Si - 11.66225 3.40678 30.48287 Si - 13.75763 2.43764 28.43797 Si - 14.59940 3.39888 38.89769 Si - 17.70934 3.39691 39.18550 Si - 18.77009 2.38040 28.79806 Si - 16.17848 3.37915 30.10569 Si - 0.02411 1.37969 36.77394 O - 17.82988 1.46653 35.47289 O - 18.07096 2.69621 37.78194 O - 18.02475 0.06711 37.68337 O - 16.65461 0.75991 33.22035 O - 16.66867 18.85966 35.27970 O - 15.21014 1.30863 35.34409 O - 15.89119 2.55804 31.46195 O - 14.13131 0.89808 32.49360 O - 15.94342 0.01974 30.79959 O - 12.20467 2.49686 31.69456 O - 11.74461 0.73031 33.58701 O - 12.65871 1.54154 35.91709 O - 11.50755 18.92677 35.70419 O - 14.46681 2.59160 37.51252 O - 19.91120 16.87204 36.57550 O - 17.44013 16.40425 35.82115 O - 16.50795 16.99639 33.43193 O - 14.88669 16.93915 35.49654 O - 14.01478 16.40820 32.85106 O - 11.67028 17.11285 33.80779 O - 12.40959 16.52071 36.26403 O - 18.51093 1.40337 36.93165 Si - 16.59233 0.66320 34.82630 Si - 15.65413 1.05796 31.99420 Si - 12.54821 1.01453 32.22287 Si - 11.49349 0.71057 35.17719 Si - 14.13131 1.35600 36.53870 Si - 18.47276 16.33122 37.05387 Si - 16.37737 17.30036 35.00897 Si - 15.53560 16.33912 32.32669 Si - 12.42567 16.34109 32.61450 Si - 11.36491 17.35760 35.36906 Si - 13.95652 16.35885 36.67669 Si - 20.06589 11.24869 28.93606 O - 2.26013 11.33553 30.23711 O - 2.01905 12.56521 27.92806 O - 2.06525 9.93611 28.02663 O - 3.43539 10.62891 32.48965 O - 3.42133 8.99066 30.43030 O - 4.87986 11.17763 30.36591 O - 4.19881 12.42704 34.24805 O - 5.95869 10.76708 33.21641 O - 4.14658 9.88874 34.91041 O - 7.88533 12.36586 34.01544 O - 8.34539 10.59931 32.12299 O - 7.43129 11.41054 29.79291 O - 8.58245 9.05777 30.00581 O - 5.62319 12.46060 28.19748 O - 0.17880 7.00304 29.13450 O - 2.64987 6.53525 29.88885 O - 3.58205 7.12739 32.27807 O - 5.20331 7.07015 30.21346 O - 6.07522 6.53920 32.85894 O - 8.41972 7.24385 31.90221 O - 7.68041 6.65171 29.44597 O - 1.57907 11.27237 28.77835 Si - 3.49767 10.53220 30.88370 Si - 4.43587 10.92696 33.71580 Si - 7.54179 10.88353 33.48713 Si - 8.59651 10.57957 30.53281 Si - 5.95869 11.22500 29.17130 Si - 1.61725 6.46222 28.65613 Si - 3.71263 7.43136 30.70103 Si - 4.55440 6.47012 33.38331 Si - 7.66434 6.47209 33.09550 Si - 8.72509 7.48860 30.34094 Si - 6.13348 6.48985 29.03331 Si - 10.06911 8.48931 35.50706 O - 7.78488 8.40247 36.80811 O - 8.02596 7.17279 34.49906 O - 7.97975 9.80189 34.59763 O - 6.60961 9.10909 39.06065 O - 6.62367 10.74734 37.00130 O - 5.16514 8.56037 36.93691 O - 5.84619 7.31096 27.67705 O - 4.08631 8.97092 26.64541 O - 5.89842 9.84926 28.33941 O - 2.15968 7.37214 27.44444 O - 1.69961 9.13869 38.69399 O - 2.61371 8.32746 36.36391 O - 1.46255 10.68023 36.57681 O - 4.42181 7.27740 34.76848 O - 9.86620 12.73496 35.70550 O - 7.39513 13.20275 36.45985 O - 6.46295 12.61061 38.84907 O - 4.84169 12.66785 36.78446 O - 3.96978 13.19880 26.28794 O - 1.62528 12.49415 38.47321 O - 2.36459 13.08629 36.01697 O - 8.46593 8.46563 35.34935 Si - 6.54733 9.20580 37.45470 Si - 5.60913 8.81104 27.14480 Si - 2.50321 8.85447 26.91613 Si - 1.44849 9.15843 37.10381 Si - 4.08631 8.51300 35.74230 Si - 8.42776 13.27578 35.22713 Si - 6.33237 12.30664 37.27203 Si - 5.49060 13.26788 26.81231 Si - 2.38067 13.26591 26.52450 Si - 1.31991 12.24940 36.91194 Si - 3.91152 13.24815 35.60431 Si - 10.06911 21.11769 9.22306 O - 7.78488 21.20453 10.52411 O - 8.02596 22.43421 8.21506 O - 7.97975 19.80511 8.31363 O - 6.60961 20.49791 12.77665 O - 6.62367 38.59766 10.71730 O - 5.16514 21.04663 10.65291 O - 5.84619 22.29604 1.39305 O - 4.08631 20.63608 0.36141 O - 5.89842 19.75774 2.05541 O - 2.15968 22.23486 1.16044 O - 1.69961 20.46831 12.40999 O - 2.61371 21.27954 10.07991 O - 1.46255 38.66477 10.29281 O - 4.42181 22.32960 8.48448 O - 9.86620 36.61004 9.42150 O - 7.39513 36.14225 10.17585 O - 8.56437 34.54150 8.45162 O - 6.46295 36.73439 12.56507 O - 4.84169 36.67715 10.50046 O - 5.91249 34.54150 0.76092 O - 3.96978 36.14620 0.00394 O - 1.90453 34.54150 0.26941 O - 1.62528 36.85085 12.18920 O - 2.36459 36.25871 9.73297 O - 4.25104 34.54150 9.08506 O - 8.46593 21.14137 9.06535 Si - 6.54733 20.40120 11.17070 Si - 5.60913 20.79596 0.86080 Si - 2.50321 20.75253 0.63213 Si - 1.44849 20.44857 10.81981 Si - 4.08631 21.09400 9.45830 Si - 8.42776 36.06922 8.94313 Si - 6.33237 37.03836 10.98803 Si - 5.49060 36.07712 0.52831 Si - 2.38067 36.07909 0.24050 Si - 1.31991 37.09560 10.62794 Si - 3.91152 36.09685 9.32031 Si - 20.06589 38.09631 2.65206 O - 2.26013 38.00947 3.95311 O - 2.01905 36.77979 1.64406 O - 2.06525 39.40889 1.74263 O - 3.43539 38.71609 6.20565 O - 3.42133 20.61634 4.14630 O - 4.87986 38.16737 4.08191 O - 4.19881 36.91796 7.96405 O - 5.95869 38.57792 6.93240 O - 4.14658 39.45626 8.62641 O - 7.88533 36.97914 7.73144 O - 8.34539 38.74569 5.83899 O - 7.43129 37.93446 3.50891 O - 8.58245 20.54923 3.72181 O - 5.62319 36.88440 1.91348 O - 0.17880 22.60396 2.85050 O - 2.64987 23.07175 3.60485 O - 1.48063 24.67250 1.88062 O - 3.58205 22.47961 5.99407 O - 5.20331 22.53685 3.92946 O - 4.13251 24.67250 7.33192 O - 6.07522 23.06780 6.57494 O - 8.14047 24.67250 6.84041 O - 8.41972 22.36315 5.61820 O - 7.68041 22.95529 3.16197 O - 5.79396 24.67250 2.51406 O - 1.57907 38.07263 2.49435 Si - 3.49767 38.81280 4.59970 Si - 4.43587 38.41804 7.43180 Si - 7.54179 38.46147 7.20313 Si - 8.59651 38.76543 4.24881 Si - 5.95869 38.12000 2.88730 Si - 1.61725 23.14478 2.37213 Si - 3.71263 22.17564 4.41703 Si - 4.55440 23.13688 7.09931 Si - 7.66434 23.13491 6.81150 Si - 8.72509 22.11840 4.05694 Si - 6.13348 23.11715 2.74931 Si - 0.02411 28.22731 10.48994 O - 17.82987 28.14047 9.18889 O - 18.07095 26.91079 11.49794 O - 18.02475 29.53989 11.39937 O - 16.65461 28.84709 6.93635 O - 16.66867 30.48534 8.99570 O - 15.21014 28.29837 9.06009 O - 15.89119 27.04896 5.17795 O - 14.13131 28.70892 6.20960 O - 15.94342 29.58726 4.51559 O - 12.20468 27.11014 5.41056 O - 11.74461 28.87669 7.30301 O - 12.65871 28.06546 9.63309 O - 11.50755 30.41823 9.42019 O - 14.46681 27.01540 11.22852 O - 19.91120 32.47296 10.29150 O - 17.44013 32.94075 9.53715 O - 18.60937 34.54150 11.26138 O - 16.50795 32.34861 7.14793 O - 14.88669 32.40585 9.21254 O - 15.95749 34.54150 5.81008 O - 14.01478 32.93680 6.56706 O - 11.94953 34.54150 6.30159 O - 11.67028 32.23215 7.52379 O - 12.40959 32.82429 9.98003 O - 14.29604 34.54150 10.62794 O - 18.51093 28.20363 10.64765 Si - 16.59233 28.94380 8.54230 Si - 15.65413 28.54904 5.71020 Si - 12.54821 28.59247 5.93887 Si - 11.49349 28.89643 8.89319 Si - 14.13131 28.25100 10.25470 Si - 18.47276 33.01378 10.76987 Si - 16.37737 32.04464 8.72497 Si - 15.53560 33.00588 6.04269 Si - 12.42567 33.00391 6.33050 Si - 11.36491 31.98740 9.08506 Si - 13.95652 32.98615 10.39269 Si - 10.02089 30.98669 3.91894 O - 12.30513 31.07353 2.61789 O - 12.06405 32.30321 4.92694 O - 12.11025 29.67411 4.82837 O - 13.48039 30.36691 0.36535 O - 13.46633 28.72866 2.42470 O - 14.92486 30.91563 2.48909 O - 14.24381 32.16504 11.74895 O - 16.00369 30.50508 12.78059 O - 14.19158 29.62674 11.08659 O - 17.93033 32.10386 11.98156 O - 18.39039 30.33731 0.73201 O - 17.47629 31.14854 3.06209 O - 18.62745 28.79577 2.84919 O - 15.66819 32.19860 4.65752 O - 10.22380 26.74104 3.72050 O - 12.69487 26.27325 2.96615 O - 11.52563 24.67250 4.69038 O - 13.62705 26.86539 0.57693 O - 15.24831 26.80815 2.64154 O - 14.17751 24.67250 12.38108 O - 16.12022 26.27720 13.13806 O - 18.18547 24.67250 12.87259 O - 18.46472 26.98185 0.95280 O - 17.72541 26.38971 3.40903 O - 15.83896 24.67250 4.05694 O - 11.62407 31.01037 4.07665 Si - 13.54267 30.27020 1.97130 Si - 14.48087 30.66496 12.28120 Si - 17.58679 30.62153 12.50987 Si - 18.64151 30.31757 2.32219 Si - 16.00369 30.96300 3.68370 Si - 11.66225 26.20022 4.19887 Si - 13.75763 27.16936 2.15397 Si - 14.59940 26.20812 12.61369 Si - 17.70933 26.21009 12.90150 Si - 18.77009 27.22660 2.51406 Si - 16.17848 26.22785 3.82169 Si - 10.02089 38.09631 3.91894 O - 12.30513 38.00947 2.61789 O - 12.06405 36.77979 4.92694 O - 12.11025 39.40889 4.82837 O - 13.48039 38.71609 0.36535 O - 13.46633 20.61634 2.42470 O - 14.92486 38.16737 2.48909 O - 14.24381 36.91796 11.74895 O - 16.00369 38.57792 12.78059 O - 14.19158 39.45626 11.08659 O - 17.93033 36.97914 11.98156 O - 18.39039 38.74569 0.73201 O - 17.47629 37.93446 3.06209 O - 18.62745 20.54923 2.84919 O - 15.66819 36.88440 4.65752 O - 10.22380 22.60396 3.72050 O - 12.69487 23.07175 2.96615 O - 13.62705 22.47961 0.57693 O - 15.24831 22.53685 2.64154 O - 16.12022 23.06780 13.13806 O - 18.46472 22.36315 0.95280 O - 17.72541 22.95529 3.40903 O - 11.62407 38.07263 4.07665 Si - 13.54267 38.81280 1.97130 Si - 14.48087 38.41804 12.28120 Si - 17.58679 38.46147 12.50987 Si - 18.64151 38.76543 2.32219 Si - 16.00369 38.12000 3.68370 Si - 11.66225 23.14478 4.19887 Si - 13.75763 22.17564 2.15397 Si - 14.59940 23.13688 12.61369 Si - 17.70933 23.13491 12.90150 Si - 18.77009 22.11840 2.51406 Si - 16.17848 23.11715 3.82169 Si - 0.02411 21.11769 10.48994 O - 17.82987 21.20453 9.18889 O - 18.07095 22.43421 11.49794 O - 18.02475 19.80511 11.39937 O - 16.65461 20.49791 6.93635 O - 16.66867 38.59766 8.99570 O - 15.21014 21.04663 9.06009 O - 15.89119 22.29604 5.17795 O - 14.13131 20.63608 6.20960 O - 15.94342 19.75774 4.51559 O - 12.20467 22.23486 5.41056 O - 11.74461 20.46831 7.30301 O - 12.65871 21.27954 9.63309 O - 11.50755 38.66477 9.42019 O - 14.46681 22.32960 11.22852 O - 19.91120 36.61004 10.29150 O - 17.44013 36.14225 9.53715 O - 16.50795 36.73439 7.14793 O - 14.88669 36.67715 9.21254 O - 14.01478 36.14620 6.56706 O - 11.67028 36.85085 7.52379 O - 12.40959 36.25871 9.98003 O - 18.51093 21.14137 10.64765 Si - 16.59233 20.40120 8.54230 Si - 15.65413 20.79596 5.71020 Si - 12.54821 20.75253 5.93887 Si - 11.49349 20.44857 8.89319 Si - 14.13131 21.09400 10.25470 Si - 18.47276 36.06922 10.76987 Si - 16.37737 37.03836 8.72497 Si - 15.53560 36.07712 6.04269 Si - 12.42567 36.07909 6.33050 Si - 11.36491 37.09560 9.08506 Si - 13.95652 36.09685 10.39269 Si - 20.06589 30.98669 2.65206 O - 2.26013 31.07353 3.95311 O - 2.01905 32.30321 1.64406 O - 2.06525 29.67411 1.74263 O - 3.43539 30.36691 6.20565 O - 3.42133 28.72866 4.14630 O - 4.87986 30.91563 4.08191 O - 4.19881 32.16504 7.96405 O - 5.95869 30.50508 6.93241 O - 4.14658 29.62674 8.62641 O - 7.88533 32.10386 7.73144 O - 8.34539 30.33731 5.83899 O - 7.43129 31.14854 3.50891 O - 8.58245 28.79577 3.72181 O - 5.62319 32.19860 1.91348 O - 0.17880 26.74104 2.85050 O - 2.64987 26.27325 3.60485 O - 3.58205 26.86539 5.99407 O - 5.20331 26.80815 3.92946 O - 6.07522 26.27720 6.57494 O - 8.41972 26.98185 5.61820 O - 7.68041 26.38971 3.16197 O - 1.57907 31.01037 2.49435 Si - 3.49767 30.27020 4.59970 Si - 4.43587 30.66496 7.43180 Si - 7.54179 30.62153 7.20313 Si - 8.59651 30.31757 4.24881 Si - 5.95869 30.96300 2.88730 Si - 1.61725 26.20022 2.37213 Si - 3.71263 27.16936 4.41703 Si - 4.55440 26.20812 7.09931 Si - 7.66434 26.21009 6.81150 Si - 8.72509 27.22660 4.05694 Si - 6.13348 26.22785 2.74931 Si - 10.06911 28.22731 9.22306 O - 7.78488 28.14047 10.52411 O - 8.02596 26.91079 8.21506 O - 7.97975 29.53989 8.31363 O - 6.60961 28.84709 12.77665 O - 6.62367 30.48534 10.71730 O - 5.16514 28.29837 10.65291 O - 5.84619 27.04896 1.39305 O - 4.08631 28.70892 0.36141 O - 5.89842 29.58726 2.05541 O - 2.15968 27.11014 1.16044 O - 1.69961 28.87669 12.40999 O - 2.61371 28.06546 10.07991 O - 1.46255 30.41823 10.29281 O - 4.42181 27.01540 8.48448 O - 9.86620 32.47296 9.42150 O - 7.39513 32.94075 10.17585 O - 6.46295 32.34861 12.56507 O - 4.84169 32.40585 10.50046 O - 3.96978 32.93680 0.00394 O - 1.62528 32.23215 12.18920 O - 2.36459 32.82429 9.73297 O - 8.46593 28.20363 9.06535 Si - 6.54733 28.94380 11.17070 Si - 5.60913 28.54904 0.86080 Si - 2.50321 28.59247 0.63213 Si - 1.44849 28.89643 10.81981 Si - 4.08631 28.25100 9.45830 Si - 8.42776 33.01378 8.94313 Si - 6.33237 32.04464 10.98803 Si - 5.49060 33.00588 0.52831 Si - 2.38067 33.00391 0.24050 Si - 1.31991 31.98740 10.62794 Si - 3.91152 32.98615 9.32031 Si - 10.06911 21.11769 22.36506 O - 7.78488 21.20453 23.66611 O - 8.02596 22.43421 21.35706 O - 7.97975 19.80511 21.45563 O - 6.60961 20.49791 25.91865 O - 6.62367 38.59766 23.85930 O - 5.16514 21.04663 23.79491 O - 5.84619 22.29604 14.53505 O - 4.08631 20.63608 13.50341 O - 5.89842 19.75774 15.19741 O - 2.15968 22.23486 14.30244 O - 1.69961 20.46831 25.55199 O - 2.61371 21.27954 23.22191 O - 1.46255 38.66477 23.43481 O - 4.42181 22.32960 21.62648 O - 9.86620 36.61004 22.56350 O - 7.39513 36.14225 23.31785 O - 8.56437 34.54150 21.59362 O - 6.46295 36.73439 25.70707 O - 4.84169 36.67715 23.64246 O - 5.91249 34.54150 13.90292 O - 3.96978 36.14620 13.14594 O - 1.90453 34.54150 13.41141 O - 1.62528 36.85085 25.33121 O - 2.36459 36.25871 22.87497 O - 4.25104 34.54150 22.22706 O - 8.46593 21.14137 22.20735 Si - 6.54733 20.40120 24.31270 Si - 5.60913 20.79596 14.00280 Si - 2.50321 20.75253 13.77413 Si - 1.44849 20.44857 23.96181 Si - 4.08631 21.09400 22.60030 Si - 8.42776 36.06922 22.08513 Si - 6.33237 37.03836 24.13003 Si - 5.49060 36.07712 13.67031 Si - 2.38067 36.07909 13.38250 Si - 1.31991 37.09560 23.76994 Si - 3.91152 36.09685 22.46231 Si - 20.06589 38.09631 15.79406 O - 2.26013 38.00947 17.09511 O - 2.01905 36.77979 14.78606 O - 2.06525 39.40889 14.88463 O - 3.43539 38.71609 19.34765 O - 3.42133 20.61634 17.28830 O - 4.87986 38.16737 17.22391 O - 4.19881 36.91796 21.10605 O - 5.95869 38.57792 20.07441 O - 4.14658 39.45626 21.76841 O - 7.88533 36.97914 20.87344 O - 8.34539 38.74569 18.98099 O - 7.43129 37.93446 16.65091 O - 8.58245 20.54923 16.86381 O - 5.62319 36.88440 15.05548 O - 0.17880 22.60396 15.99250 O - 2.64987 23.07175 16.74685 O - 1.48063 24.67250 15.02262 O - 3.58205 22.47961 19.13607 O - 5.20331 22.53685 17.07146 O - 4.13251 24.67250 20.47392 O - 6.07522 23.06780 19.71694 O - 8.14047 24.67250 19.98241 O - 8.41972 22.36315 18.76020 O - 7.68041 22.95529 16.30397 O - 5.79396 24.67250 15.65606 O - 1.57907 38.07263 15.63635 Si - 3.49767 38.81280 17.74170 Si - 4.43587 38.41804 20.57380 Si - 7.54179 38.46147 20.34513 Si - 8.59651 38.76543 17.39081 Si - 5.95869 38.12000 16.02930 Si - 1.61725 23.14478 15.51413 Si - 3.71263 22.17564 17.55903 Si - 4.55440 23.13688 20.24131 Si - 7.66434 23.13491 19.95350 Si - 8.72509 22.11840 17.19894 Si - 6.13348 23.11715 15.89131 Si - 0.02411 28.22731 23.63194 O - 17.82987 28.14047 22.33089 O - 18.07095 26.91079 24.63994 O - 18.02475 29.53989 24.54137 O - 16.65461 28.84709 20.07835 O - 16.66867 30.48534 22.13770 O - 15.21014 28.29837 22.20209 O - 15.89119 27.04896 18.31995 O - 14.13131 28.70892 19.35159 O - 15.94342 29.58726 17.65759 O - 12.20468 27.11014 18.55256 O - 11.74461 28.87669 20.44501 O - 12.65871 28.06546 22.77509 O - 11.50755 30.41823 22.56219 O - 14.46681 27.01540 24.37052 O - 19.91120 32.47296 23.43350 O - 17.44013 32.94075 22.67915 O - 18.60937 34.54150 24.40338 O - 16.50795 32.34861 20.28993 O - 14.88669 32.40585 22.35454 O - 15.95749 34.54150 18.95208 O - 14.01478 32.93680 19.70906 O - 11.94953 34.54150 19.44359 O - 11.67028 32.23215 20.66580 O - 12.40959 32.82429 23.12203 O - 14.29604 34.54150 23.76994 O - 18.51093 28.20363 23.78965 Si - 16.59233 28.94380 21.68430 Si - 15.65413 28.54904 18.85220 Si - 12.54821 28.59247 19.08087 Si - 11.49349 28.89643 22.03519 Si - 14.13131 28.25100 23.39670 Si - 18.47276 33.01378 23.91187 Si - 16.37737 32.04464 21.86697 Si - 15.53560 33.00588 19.18469 Si - 12.42567 33.00391 19.47250 Si - 11.36491 31.98740 22.22706 Si - 13.95652 32.98615 23.53469 Si - 10.02089 30.98669 17.06094 O - 12.30513 31.07353 15.75989 O - 12.06405 32.30321 18.06894 O - 12.11025 29.67411 17.97037 O - 13.48039 30.36691 13.50735 O - 13.46633 28.72866 15.56670 O - 14.92486 30.91563 15.63109 O - 14.24381 32.16504 24.89095 O - 16.00369 30.50508 25.92260 O - 14.19158 29.62674 24.22859 O - 17.93033 32.10386 25.12356 O - 18.39039 30.33731 13.87401 O - 17.47629 31.14854 16.20409 O - 18.62745 28.79577 15.99119 O - 15.66819 32.19860 17.79952 O - 10.22380 26.74104 16.86250 O - 12.69487 26.27325 16.10815 O - 11.52563 24.67250 17.83238 O - 13.62705 26.86539 13.71893 O - 15.24831 26.80815 15.78354 O - 14.17751 24.67250 25.52308 O - 16.12022 26.27720 26.28006 O - 18.18547 24.67250 26.01459 O - 18.46472 26.98185 14.09479 O - 17.72541 26.38971 16.55103 O - 15.83896 24.67250 17.19894 O - 11.62407 31.01037 17.21865 Si - 13.54267 30.27020 15.11330 Si - 14.48087 30.66496 25.42320 Si - 17.58679 30.62153 25.65187 Si - 18.64151 30.31757 15.46419 Si - 16.00369 30.96300 16.82570 Si - 11.66225 26.20022 17.34087 Si - 13.75763 27.16936 15.29597 Si - 14.59940 26.20812 25.75569 Si - 17.70933 26.21009 26.04350 Si - 18.77009 27.22660 15.65606 Si - 16.17848 26.22785 16.96369 Si - 10.02089 38.09631 17.06094 O - 12.30513 38.00947 15.75989 O - 12.06405 36.77979 18.06894 O - 12.11025 39.40889 17.97037 O - 13.48039 38.71609 13.50735 O - 13.46633 20.61634 15.56670 O - 14.92486 38.16737 15.63109 O - 14.24381 36.91796 24.89095 O - 16.00369 38.57792 25.92260 O - 14.19158 39.45626 24.22859 O - 17.93033 36.97914 25.12356 O - 18.39039 38.74569 13.87401 O - 17.47629 37.93446 16.20409 O - 18.62745 20.54923 15.99119 O - 15.66819 36.88440 17.79952 O - 10.22380 22.60396 16.86250 O - 12.69487 23.07175 16.10815 O - 13.62705 22.47961 13.71893 O - 15.24831 22.53685 15.78354 O - 16.12022 23.06780 26.28006 O - 18.46472 22.36315 14.09479 O - 17.72541 22.95529 16.55103 O - 11.62407 38.07263 17.21865 Si - 13.54267 38.81280 15.11330 Si - 14.48087 38.41804 25.42320 Si - 17.58679 38.46147 25.65187 Si - 18.64151 38.76543 15.46419 Si - 16.00369 38.12000 16.82570 Si - 11.66225 23.14478 17.34087 Si - 13.75763 22.17564 15.29597 Si - 14.59940 23.13688 25.75569 Si - 17.70933 23.13491 26.04350 Si - 18.77009 22.11840 15.65606 Si - 16.17848 23.11715 16.96369 Si - 0.02411 21.11769 23.63194 O - 17.82987 21.20453 22.33089 O - 18.07095 22.43421 24.63994 O - 18.02475 19.80511 24.54137 O - 16.65461 20.49791 20.07835 O - 16.66867 38.59766 22.13770 O - 15.21014 21.04663 22.20209 O - 15.89119 22.29604 18.31995 O - 14.13131 20.63608 19.35160 O - 15.94342 19.75774 17.65759 O - 12.20468 22.23486 18.55256 O - 11.74461 20.46831 20.44501 O - 12.65871 21.27954 22.77509 O - 11.50755 38.66477 22.56219 O - 14.46681 22.32960 24.37052 O - 19.91120 36.61004 23.43350 O - 17.44013 36.14225 22.67915 O - 16.50795 36.73439 20.28993 O - 14.88669 36.67715 22.35454 O - 14.01478 36.14620 19.70906 O - 11.67028 36.85085 20.66580 O - 12.40959 36.25871 23.12203 O - 18.51093 21.14137 23.78965 Si - 16.59233 20.40120 21.68430 Si - 15.65413 20.79596 18.85220 Si - 12.54821 20.75253 19.08087 Si - 11.49349 20.44857 22.03519 Si - 14.13131 21.09400 23.39670 Si - 18.47276 36.06922 23.91187 Si - 16.37737 37.03836 21.86697 Si - 15.53560 36.07712 19.18469 Si - 12.42567 36.07909 19.47250 Si - 11.36491 37.09560 22.22706 Si - 13.95652 36.09685 23.53469 Si - 20.06589 30.98669 15.79406 O - 2.26013 31.07353 17.09511 O - 2.01905 32.30321 14.78606 O - 2.06525 29.67411 14.88463 O - 3.43539 30.36691 19.34765 O - 3.42133 28.72866 17.28830 O - 4.87986 30.91563 17.22391 O - 4.19881 32.16504 21.10605 O - 5.95869 30.50508 20.07441 O - 4.14658 29.62674 21.76841 O - 7.88533 32.10386 20.87344 O - 8.34539 30.33731 18.98099 O - 7.43129 31.14854 16.65091 O - 8.58245 28.79577 16.86381 O - 5.62319 32.19860 15.05548 O - 0.17880 26.74104 15.99250 O - 2.64987 26.27325 16.74685 O - 3.58205 26.86539 19.13607 O - 5.20331 26.80815 17.07146 O - 6.07522 26.27720 19.71694 O - 8.41972 26.98185 18.76020 O - 7.68041 26.38971 16.30397 O - 1.57907 31.01037 15.63635 Si - 3.49767 30.27020 17.74170 Si - 4.43587 30.66496 20.57380 Si - 7.54179 30.62153 20.34513 Si - 8.59651 30.31757 17.39081 Si - 5.95869 30.96300 16.02930 Si - 1.61725 26.20022 15.51413 Si - 3.71263 27.16936 17.55903 Si - 4.55440 26.20812 20.24131 Si - 7.66434 26.21009 19.95350 Si - 8.72509 27.22660 17.19894 Si - 6.13348 26.22785 15.89131 Si - 10.06911 28.22731 22.36506 O - 7.78488 28.14047 23.66611 O - 8.02596 26.91079 21.35706 O - 7.97975 29.53989 21.45563 O - 6.60961 28.84709 25.91865 O - 6.62367 30.48534 23.85930 O - 5.16514 28.29837 23.79491 O - 5.84619 27.04896 14.53505 O - 4.08631 28.70892 13.50341 O - 5.89842 29.58726 15.19741 O - 2.15968 27.11014 14.30244 O - 1.69961 28.87669 25.55199 O - 2.61371 28.06546 23.22191 O - 1.46255 30.41823 23.43481 O - 4.42181 27.01540 21.62648 O - 9.86620 32.47296 22.56350 O - 7.39513 32.94075 23.31785 O - 6.46295 32.34861 25.70707 O - 4.84169 32.40585 23.64246 O - 3.96978 32.93680 13.14594 O - 1.62528 32.23215 25.33121 O - 2.36459 32.82429 22.87497 O - 8.46593 28.20363 22.20735 Si - 6.54733 28.94380 24.31270 Si - 5.60913 28.54904 14.00280 Si - 2.50321 28.59247 13.77413 Si - 1.44849 28.89643 23.96181 Si - 4.08631 28.25100 22.60030 Si - 8.42776 33.01378 22.08513 Si - 6.33237 32.04464 24.13003 Si - 5.49060 33.00588 13.67031 Si - 2.38067 33.00391 13.38250 Si - 1.31991 31.98740 23.76994 Si - 3.91152 32.98615 22.46231 Si - 10.06911 21.11769 35.50706 O - 7.78488 21.20453 36.80811 O - 8.02596 22.43421 34.49906 O - 7.97975 19.80511 34.59763 O - 6.60961 20.49791 39.06065 O - 6.62367 38.59766 37.00130 O - 5.16514 21.04663 36.93691 O - 5.84619 22.29604 27.67705 O - 4.08631 20.63608 26.64541 O - 5.89842 19.75774 28.33941 O - 2.15968 22.23486 27.44444 O - 1.69961 20.46831 38.69399 O - 2.61371 21.27954 36.36391 O - 1.46255 38.66477 36.57681 O - 4.42181 22.32960 34.76848 O - 9.86620 36.61004 35.70550 O - 7.39513 36.14225 36.45985 O - 8.56437 34.54150 34.73562 O - 6.46295 36.73439 38.84907 O - 4.84169 36.67715 36.78446 O - 5.91249 34.54150 27.04492 O - 3.96978 36.14620 26.28794 O - 1.90453 34.54150 26.55341 O - 1.62528 36.85085 38.47321 O - 2.36459 36.25871 36.01697 O - 4.25104 34.54150 35.36906 O - 8.46593 21.14137 35.34935 Si - 6.54733 20.40120 37.45470 Si - 5.60913 20.79596 27.14480 Si - 2.50321 20.75253 26.91613 Si - 1.44849 20.44857 37.10381 Si - 4.08631 21.09400 35.74230 Si - 8.42776 36.06922 35.22713 Si - 6.33237 37.03836 37.27203 Si - 5.49060 36.07712 26.81231 Si - 2.38067 36.07909 26.52450 Si - 1.31991 37.09560 36.91194 Si - 3.91152 36.09685 35.60431 Si - 20.06589 38.09631 28.93606 O - 2.26013 38.00947 30.23711 O - 2.01905 36.77979 27.92806 O - 2.06525 39.40889 28.02663 O - 3.43539 38.71609 32.48965 O - 3.42133 20.61634 30.43030 O - 4.87986 38.16737 30.36591 O - 4.19881 36.91796 34.24805 O - 5.95869 38.57792 33.21641 O - 4.14658 39.45626 34.91041 O - 7.88533 36.97914 34.01544 O - 8.34539 38.74569 32.12299 O - 7.43129 37.93446 29.79291 O - 8.58245 20.54923 30.00581 O - 5.62319 36.88440 28.19748 O - 0.17880 22.60396 29.13450 O - 2.64987 23.07175 29.88885 O - 1.48063 24.67250 28.16462 O - 3.58205 22.47961 32.27807 O - 5.20331 22.53685 30.21346 O - 4.13251 24.67250 33.61592 O - 6.07522 23.06780 32.85894 O - 8.14047 24.67250 33.12441 O - 8.41972 22.36315 31.90221 O - 7.68041 22.95529 29.44597 O - 5.79396 24.67250 28.79806 O - 1.57907 38.07263 28.77835 Si - 3.49767 38.81280 30.88370 Si - 4.43587 38.41804 33.71580 Si - 7.54179 38.46147 33.48713 Si - 8.59651 38.76543 30.53281 Si - 5.95869 38.12000 29.17130 Si - 1.61725 23.14478 28.65613 Si - 3.71263 22.17564 30.70103 Si - 4.55440 23.13688 33.38331 Si - 7.66434 23.13491 33.09550 Si - 8.72509 22.11840 30.34094 Si - 6.13348 23.11715 29.03331 Si - 0.02411 28.22731 36.77394 O - 17.82988 28.14047 35.47289 O - 18.07096 26.91079 37.78194 O - 18.02475 29.53989 37.68337 O - 16.65461 28.84709 33.22035 O - 16.66867 30.48534 35.27970 O - 15.21014 28.29837 35.34409 O - 15.89119 27.04896 31.46195 O - 14.13131 28.70892 32.49360 O - 15.94342 29.58726 30.79959 O - 12.20468 27.11014 31.69456 O - 11.74461 28.87669 33.58701 O - 12.65871 28.06546 35.91709 O - 11.50755 30.41823 35.70419 O - 14.46681 27.01540 37.51252 O - 19.91120 32.47296 36.57550 O - 17.44013 32.94075 35.82115 O - 18.60937 34.54150 37.54538 O - 16.50795 32.34861 33.43193 O - 14.88669 32.40585 35.49654 O - 15.95749 34.54150 32.09408 O - 14.01478 32.93680 32.85106 O - 11.94953 34.54150 32.58559 O - 11.67028 32.23215 33.80779 O - 12.40959 32.82429 36.26403 O - 14.29604 34.54150 36.91194 O - 18.51093 28.20363 36.93165 Si - 16.59233 28.94380 34.82630 Si - 15.65413 28.54904 31.99420 Si - 12.54821 28.59247 32.22287 Si - 11.49349 28.89643 35.17719 Si - 14.13131 28.25100 36.53870 Si - 18.47276 33.01378 37.05387 Si - 16.37737 32.04464 35.00897 Si - 15.53560 33.00588 32.32669 Si - 12.42567 33.00391 32.61450 Si - 11.36491 31.98740 35.36906 Si - 13.95652 32.98615 36.67669 Si - 10.02089 30.98669 30.20294 O - 12.30513 31.07353 28.90189 O - 12.06405 32.30321 31.21094 O - 12.11025 29.67411 31.11237 O - 13.48039 30.36691 26.64935 O - 13.46633 28.72866 28.70870 O - 14.92486 30.91563 28.77309 O - 14.24381 32.16504 38.03295 O - 16.00369 30.50508 39.06460 O - 14.19158 29.62674 37.37059 O - 17.93033 32.10386 38.26556 O - 18.39039 30.33731 27.01601 O - 17.47629 31.14854 29.34609 O - 18.62745 28.79577 29.13319 O - 15.66819 32.19860 30.94152 O - 10.22380 26.74104 30.00450 O - 12.69487 26.27325 29.25015 O - 11.52563 24.67250 30.97438 O - 13.62705 26.86539 26.86093 O - 15.24831 26.80815 28.92554 O - 14.17751 24.67250 38.66508 O - 16.12022 26.27720 39.42206 O - 18.18547 24.67250 39.15659 O - 18.46472 26.98185 27.23680 O - 17.72541 26.38971 29.69303 O - 15.83896 24.67250 30.34094 O - 11.62407 31.01037 30.36065 Si - 13.54267 30.27020 28.25530 Si - 14.48087 30.66496 38.56520 Si - 17.58679 30.62153 38.79387 Si - 18.64151 30.31757 28.60619 Si - 16.00369 30.96300 29.96770 Si - 11.66225 26.20022 30.48287 Si - 13.75763 27.16936 28.43797 Si - 14.59940 26.20812 38.89769 Si - 17.70934 26.21009 39.18550 Si - 18.77009 27.22660 28.79806 Si - 16.17848 26.22785 30.10569 Si - 10.02089 38.09631 30.20294 O - 12.30513 38.00947 28.90189 O - 12.06405 36.77979 31.21094 O - 12.11025 39.40889 31.11237 O - 13.48039 38.71609 26.64935 O - 13.46633 20.61634 28.70870 O - 14.92486 38.16737 28.77309 O - 14.24381 36.91796 38.03295 O - 16.00369 38.57792 39.06460 O - 14.19158 39.45626 37.37059 O - 17.93033 36.97914 38.26556 O - 18.39039 38.74569 27.01601 O - 17.47629 37.93446 29.34609 O - 18.62745 20.54923 29.13319 O - 15.66819 36.88440 30.94152 O - 10.22380 22.60396 30.00450 O - 12.69487 23.07175 29.25015 O - 13.62705 22.47961 26.86093 O - 15.24831 22.53685 28.92554 O - 16.12022 23.06780 39.42206 O - 18.46472 22.36315 27.23680 O - 17.72541 22.95529 29.69303 O - 11.62407 38.07263 30.36065 Si - 13.54267 38.81280 28.25530 Si - 14.48087 38.41804 38.56520 Si - 17.58679 38.46147 38.79387 Si - 18.64151 38.76543 28.60619 Si - 16.00369 38.12000 29.96770 Si - 11.66225 23.14478 30.48287 Si - 13.75763 22.17564 28.43797 Si - 14.59940 23.13688 38.89769 Si - 17.70934 23.13491 39.18550 Si - 18.77009 22.11840 28.79806 Si - 16.17848 23.11715 30.10569 Si - 0.02411 21.11769 36.77394 O - 17.82988 21.20453 35.47289 O - 18.07096 22.43421 37.78194 O - 18.02475 19.80511 37.68337 O - 16.65461 20.49791 33.22035 O - 16.66867 38.59766 35.27970 O - 15.21014 21.04663 35.34409 O - 15.89119 22.29604 31.46195 O - 14.13131 20.63608 32.49360 O - 15.94342 19.75774 30.79959 O - 12.20468 22.23486 31.69456 O - 11.74461 20.46831 33.58701 O - 12.65871 21.27954 35.91709 O - 11.50755 38.66477 35.70419 O - 14.46681 22.32960 37.51252 O - 19.91120 36.61004 36.57550 O - 17.44013 36.14225 35.82115 O - 16.50795 36.73439 33.43193 O - 14.88669 36.67715 35.49654 O - 14.01478 36.14620 32.85106 O - 11.67028 36.85085 33.80779 O - 12.40959 36.25871 36.26403 O - 18.51093 21.14137 36.93165 Si - 16.59233 20.40120 34.82630 Si - 15.65413 20.79596 31.99420 Si - 12.54821 20.75253 32.22287 Si - 11.49349 20.44857 35.17719 Si - 14.13131 21.09400 36.53870 Si - 18.47276 36.06922 37.05387 Si - 16.37737 37.03836 35.00897 Si - 15.53560 36.07712 32.32669 Si - 12.42567 36.07909 32.61450 Si - 11.36491 37.09560 35.36906 Si - 13.95652 36.09685 36.67669 Si - 20.06589 30.98669 28.93606 O - 2.26013 31.07353 30.23711 O - 2.01905 32.30321 27.92806 O - 2.06525 29.67411 28.02663 O - 3.43539 30.36691 32.48965 O - 3.42133 28.72866 30.43030 O - 4.87986 30.91563 30.36591 O - 4.19881 32.16504 34.24805 O - 5.95869 30.50508 33.21641 O - 4.14658 29.62674 34.91041 O - 7.88533 32.10386 34.01544 O - 8.34539 30.33731 32.12299 O - 7.43129 31.14854 29.79291 O - 8.58245 28.79577 30.00581 O - 5.62319 32.19860 28.19748 O - 0.17880 26.74104 29.13450 O - 2.64987 26.27325 29.88885 O - 3.58205 26.86539 32.27807 O - 5.20331 26.80815 30.21346 O - 6.07522 26.27720 32.85894 O - 8.41972 26.98185 31.90221 O - 7.68041 26.38971 29.44597 O - 1.57907 31.01037 28.77835 Si - 3.49767 30.27020 30.88370 Si - 4.43587 30.66496 33.71580 Si - 7.54179 30.62153 33.48713 Si - 8.59651 30.31757 30.53281 Si - 5.95869 30.96300 29.17130 Si - 1.61725 26.20022 28.65613 Si - 3.71263 27.16936 30.70103 Si - 4.55440 26.20812 33.38331 Si - 7.66434 26.21009 33.09550 Si - 8.72509 27.22660 30.34094 Si - 6.13348 26.22785 29.03331 Si - 10.06911 28.22731 35.50706 O - 7.78488 28.14047 36.80811 O - 8.02596 26.91079 34.49906 O - 7.97975 29.53989 34.59763 O - 6.60961 28.84709 39.06065 O - 6.62367 30.48534 37.00130 O - 5.16514 28.29837 36.93691 O - 5.84619 27.04896 27.67705 O - 4.08631 28.70892 26.64541 O - 5.89842 29.58726 28.33941 O - 2.15968 27.11014 27.44444 O - 1.69961 28.87669 38.69399 O - 2.61371 28.06546 36.36391 O - 1.46255 30.41823 36.57681 O - 4.42181 27.01540 34.76848 O - 9.86620 32.47296 35.70550 O - 7.39513 32.94075 36.45985 O - 6.46295 32.34861 38.84907 O - 4.84169 32.40585 36.78446 O - 3.96978 32.93680 26.28794 O - 1.62528 32.23215 38.47321 O - 2.36459 32.82429 36.01697 O - 8.46593 28.20363 35.34935 Si - 6.54733 28.94380 37.45470 Si - 5.60913 28.54904 27.14480 Si - 2.50321 28.59247 26.91613 Si - 1.44849 28.89643 37.10381 Si - 4.08631 28.25100 35.74230 Si - 8.42776 33.01378 35.22713 Si - 6.33237 32.04464 37.27203 Si - 5.49060 33.00588 26.81231 Si - 2.38067 33.00391 26.52450 Si - 1.31991 31.98740 36.91194 Si - 3.91152 32.98615 35.60431 Si - 30.15911 1.37969 9.22306 O - 27.87487 1.46653 10.52411 O - 28.11595 2.69621 8.21506 O - 28.06975 0.06711 8.31363 O - 26.69961 0.75991 12.77665 O - 26.71367 18.85966 10.71730 O - 25.25514 1.30863 10.65291 O - 25.93619 2.55804 1.39305 O - 24.17631 0.89808 0.36141 O - 25.98842 0.01974 2.05541 O - 22.24967 2.49686 1.16044 O - 21.78961 0.73031 12.40999 O - 22.70371 1.54154 10.07991 O - 21.55255 18.92677 10.29281 O - 24.51181 2.59160 8.48448 O - 29.95620 16.87204 9.42150 O - 27.48513 16.40425 10.17585 O - 28.65437 14.80350 8.45162 O - 26.55295 16.99639 12.56507 O - 24.93169 16.93915 10.50046 O - 26.00249 14.80350 0.76092 O - 24.05978 16.40820 0.00394 O - 21.99453 14.80350 0.26941 O - 21.71528 17.11285 12.18920 O - 22.45459 16.52071 9.73297 O - 24.34104 14.80350 9.08506 O - 28.55593 1.40337 9.06535 Si - 26.63733 0.66320 11.17070 Si - 25.69913 1.05796 0.86080 Si - 22.59321 1.01453 0.63213 Si - 21.53849 0.71057 10.81981 Si - 24.17631 1.35600 9.45830 Si - 28.51776 16.33122 8.94313 Si - 26.42237 17.30036 10.98803 Si - 25.58060 16.33912 0.52831 Si - 22.47067 16.34109 0.24050 Si - 21.40991 17.35760 10.62794 Si - 24.00152 16.35885 9.32031 Si - 40.15589 18.35831 2.65206 O - 22.35013 18.27147 3.95311 O - 22.10905 17.04179 1.64406 O - 22.15525 19.67089 1.74263 O - 23.52539 18.97809 6.20565 O - 23.51133 0.87834 4.14630 O - 24.96986 18.42937 4.08191 O - 24.28881 17.17996 7.96405 O - 26.04869 18.83992 6.93240 O - 24.23658 19.71826 8.62641 O - 27.97533 17.24114 7.73144 O - 28.43539 19.00769 5.83899 O - 27.52129 18.19646 3.50891 O - 28.67245 0.81123 3.72181 O - 25.71319 17.14640 1.91348 O - 20.26880 2.86596 2.85050 O - 22.73987 3.33375 3.60485 O - 21.57063 4.93450 1.88062 O - 23.67205 2.74161 5.99407 O - 25.29331 2.79885 3.92946 O - 24.22251 4.93450 7.33192 O - 26.16522 3.32980 6.57494 O - 28.23047 4.93450 6.84041 O - 28.50972 2.62515 5.61820 O - 27.77041 3.21729 3.16197 O - 25.88396 4.93450 2.51406 O - 21.66907 18.33463 2.49435 Si - 23.58767 19.07480 4.59970 Si - 24.52587 18.68004 7.43180 Si - 27.63179 18.72347 7.20313 Si - 28.68651 19.02743 4.24881 Si - 26.04869 18.38200 2.88730 Si - 21.70725 3.40678 2.37213 Si - 23.80263 2.43764 4.41703 Si - 24.64440 3.39888 7.09931 Si - 27.75433 3.39691 6.81150 Si - 28.81509 2.38040 4.05694 Si - 26.22348 3.37915 2.74931 Si - 20.11411 8.48931 10.48994 O - 37.91987 8.40247 9.18889 O - 38.16096 7.17279 11.49794 O - 38.11475 9.80189 11.39937 O - 36.74461 9.10909 6.93635 O - 36.75867 10.74734 8.99570 O - 35.30014 8.56037 9.06009 O - 35.98119 7.31096 5.17795 O - 34.22131 8.97092 6.20960 O - 36.03342 9.84926 4.51559 O - 32.29467 7.37214 5.41056 O - 31.83461 9.13869 7.30301 O - 32.74871 8.32746 9.63309 O - 31.59755 10.68023 9.42019 O - 34.55681 7.27740 11.22852 O - 40.00120 12.73496 10.29150 O - 37.53013 13.20275 9.53715 O - 38.69937 14.80350 11.26138 O - 36.59795 12.61061 7.14793 O - 34.97669 12.66785 9.21254 O - 36.04749 14.80350 5.81008 O - 34.10478 13.19880 6.56706 O - 32.03953 14.80350 6.30159 O - 31.76028 12.49415 7.52379 O - 32.49959 13.08629 9.98003 O - 34.38604 14.80350 10.62794 O - 38.60093 8.46563 10.64765 Si - 36.68233 9.20580 8.54230 Si - 35.74413 8.81104 5.71020 Si - 32.63821 8.85447 5.93887 Si - 31.58349 9.15843 8.89319 Si - 34.22131 8.51300 10.25470 Si - 38.56276 13.27578 10.76987 Si - 36.46737 12.30664 8.72497 Si - 35.62560 13.26788 6.04269 Si - 32.51566 13.26591 6.33050 Si - 31.45491 12.24940 9.08506 Si - 34.04652 13.24815 10.39269 Si - 30.11089 11.24869 3.91894 O - 32.39513 11.33553 2.61789 O - 32.15405 12.56521 4.92694 O - 32.20025 9.93611 4.82837 O - 33.57039 10.62891 0.36535 O - 33.55633 8.99066 2.42470 O - 35.01486 11.17763 2.48909 O - 34.33381 12.42704 11.74895 O - 36.09369 10.76708 12.78059 O - 34.28158 9.88874 11.08659 O - 38.02032 12.36586 11.98156 O - 38.48039 10.59931 0.73201 O - 37.56629 11.41054 3.06209 O - 38.71745 9.05777 2.84919 O - 35.75819 12.46060 4.65752 O - 30.31380 7.00304 3.72050 O - 32.78487 6.53525 2.96615 O - 31.61563 4.93450 4.69038 O - 33.71705 7.12739 0.57693 O - 35.33831 7.07015 2.64154 O - 34.26751 4.93450 12.38108 O - 36.21022 6.53920 13.13806 O - 38.27547 4.93450 12.87259 O - 38.55472 7.24385 0.95280 O - 37.81541 6.65171 3.40903 O - 35.92896 4.93450 4.05694 O - 31.71407 11.27237 4.07665 Si - 33.63267 10.53220 1.97130 Si - 34.57087 10.92696 12.28120 Si - 37.67679 10.88353 12.50987 Si - 38.73151 10.57957 2.32219 Si - 36.09369 11.22500 3.68370 Si - 31.75224 6.46222 4.19887 Si - 33.84763 7.43136 2.15397 Si - 34.68940 6.47012 12.61369 Si - 37.79933 6.47209 12.90150 Si - 38.86009 7.48860 2.51406 Si - 36.26848 6.48985 3.82169 Si - 30.11089 18.35831 3.91894 O - 32.39513 18.27147 2.61789 O - 32.15405 17.04179 4.92694 O - 32.20025 19.67089 4.82837 O - 33.57039 18.97809 0.36535 O - 33.55633 0.87834 2.42470 O - 35.01486 18.42937 2.48909 O - 34.33381 17.17996 11.74895 O - 36.09369 18.83992 12.78059 O - 34.28158 19.71826 11.08659 O - 38.02032 17.24114 11.98156 O - 38.48039 19.00769 0.73201 O - 37.56629 18.19646 3.06209 O - 38.71745 0.81123 2.84919 O - 35.75819 17.14640 4.65752 O - 30.31380 2.86596 3.72050 O - 32.78487 3.33375 2.96615 O - 33.71705 2.74161 0.57693 O - 35.33831 2.79885 2.64154 O - 36.21022 3.32980 13.13806 O - 38.55472 2.62515 0.95280 O - 37.81541 3.21729 3.40903 O - 31.71407 18.33463 4.07665 Si - 33.63267 19.07480 1.97130 Si - 34.57087 18.68004 12.28120 Si - 37.67679 18.72347 12.50987 Si - 38.73151 19.02743 2.32219 Si - 36.09369 18.38200 3.68370 Si - 31.75224 3.40678 4.19887 Si - 33.84763 2.43764 2.15397 Si - 34.68940 3.39888 12.61369 Si - 37.79933 3.39691 12.90150 Si - 38.86009 2.38040 2.51406 Si - 36.26848 3.37915 3.82169 Si - 20.11411 1.37969 10.48994 O - 37.91987 1.46653 9.18889 O - 38.16096 2.69621 11.49794 O - 38.11475 0.06711 11.39937 O - 36.74461 0.75991 6.93635 O - 36.75867 18.85966 8.99570 O - 35.30014 1.30863 9.06009 O - 35.98119 2.55804 5.17795 O - 34.22131 0.89808 6.20960 O - 36.03342 0.01974 4.51559 O - 32.29467 2.49686 5.41056 O - 31.83461 0.73031 7.30301 O - 32.74871 1.54154 9.63309 O - 31.59755 18.92677 9.42019 O - 34.55681 2.59160 11.22852 O - 40.00120 16.87204 10.29150 O - 37.53013 16.40425 9.53715 O - 36.59795 16.99639 7.14793 O - 34.97669 16.93915 9.21254 O - 34.10478 16.40820 6.56706 O - 31.76028 17.11285 7.52379 O - 32.49959 16.52071 9.98003 O - 38.60093 1.40337 10.64765 Si - 36.68233 0.66320 8.54230 Si - 35.74413 1.05796 5.71020 Si - 32.63821 1.01453 5.93887 Si - 31.58349 0.71057 8.89319 Si - 34.22131 1.35600 10.25470 Si - 38.56276 16.33122 10.76987 Si - 36.46737 17.30036 8.72497 Si - 35.62560 16.33912 6.04269 Si - 32.51566 16.34109 6.33050 Si - 31.45491 17.35760 9.08506 Si - 34.04652 16.35885 10.39269 Si - 40.15589 11.24869 2.65206 O - 22.35013 11.33553 3.95311 O - 22.10905 12.56521 1.64406 O - 22.15525 9.93611 1.74263 O - 23.52539 10.62891 6.20565 O - 23.51133 8.99066 4.14630 O - 24.96986 11.17763 4.08191 O - 24.28881 12.42704 7.96405 O - 26.04869 10.76708 6.93241 O - 24.23658 9.88874 8.62641 O - 27.97533 12.36586 7.73144 O - 28.43539 10.59931 5.83899 O - 27.52129 11.41054 3.50891 O - 28.67245 9.05777 3.72181 O - 25.71319 12.46060 1.91348 O - 20.26880 7.00304 2.85050 O - 22.73987 6.53525 3.60485 O - 23.67205 7.12739 5.99407 O - 25.29331 7.07015 3.92946 O - 26.16522 6.53920 6.57494 O - 28.50972 7.24385 5.61820 O - 27.77041 6.65171 3.16197 O - 21.66907 11.27237 2.49435 Si - 23.58767 10.53220 4.59970 Si - 24.52587 10.92696 7.43180 Si - 27.63179 10.88353 7.20313 Si - 28.68651 10.57957 4.24881 Si - 26.04869 11.22500 2.88730 Si - 21.70725 6.46222 2.37213 Si - 23.80263 7.43136 4.41703 Si - 24.64440 6.47012 7.09931 Si - 27.75433 6.47209 6.81150 Si - 28.81509 7.48860 4.05694 Si - 26.22348 6.48985 2.74931 Si - 30.15911 8.48931 9.22306 O - 27.87487 8.40247 10.52411 O - 28.11595 7.17279 8.21506 O - 28.06975 9.80189 8.31363 O - 26.69961 9.10909 12.77665 O - 26.71367 10.74734 10.71730 O - 25.25514 8.56037 10.65291 O - 25.93619 7.31096 1.39305 O - 24.17631 8.97092 0.36141 O - 25.98842 9.84926 2.05541 O - 22.24967 7.37214 1.16044 O - 21.78961 9.13869 12.40999 O - 22.70371 8.32746 10.07991 O - 21.55255 10.68023 10.29281 O - 24.51181 7.27740 8.48448 O - 29.95620 12.73496 9.42150 O - 27.48513 13.20275 10.17585 O - 26.55295 12.61061 12.56507 O - 24.93169 12.66785 10.50046 O - 24.05978 13.19880 0.00394 O - 21.71528 12.49415 12.18920 O - 22.45459 13.08629 9.73297 O - 28.55593 8.46563 9.06535 Si - 26.63733 9.20580 11.17070 Si - 25.69913 8.81104 0.86080 Si - 22.59321 8.85447 0.63213 Si - 21.53849 9.15843 10.81981 Si - 24.17631 8.51300 9.45830 Si - 28.51776 13.27578 8.94313 Si - 26.42237 12.30664 10.98803 Si - 25.58060 13.26788 0.52831 Si - 22.47067 13.26591 0.24050 Si - 21.40991 12.24940 10.62794 Si - 24.00152 13.24815 9.32031 Si - 30.15911 1.37969 22.36506 O - 27.87487 1.46653 23.66611 O - 28.11595 2.69621 21.35706 O - 28.06975 0.06711 21.45563 O - 26.69961 0.75991 25.91865 O - 26.71367 18.85966 23.85930 O - 25.25514 1.30863 23.79491 O - 25.93619 2.55804 14.53505 O - 24.17631 0.89808 13.50341 O - 25.98842 0.01974 15.19741 O - 22.24967 2.49686 14.30244 O - 21.78961 0.73031 25.55199 O - 22.70371 1.54154 23.22191 O - 21.55255 18.92677 23.43481 O - 24.51181 2.59160 21.62648 O - 29.95620 16.87204 22.56350 O - 27.48513 16.40425 23.31785 O - 28.65437 14.80350 21.59362 O - 26.55295 16.99639 25.70707 O - 24.93169 16.93915 23.64246 O - 26.00249 14.80350 13.90292 O - 24.05978 16.40820 13.14594 O - 21.99453 14.80350 13.41141 O - 21.71528 17.11285 25.33121 O - 22.45459 16.52071 22.87497 O - 24.34104 14.80350 22.22706 O - 28.55593 1.40337 22.20735 Si - 26.63733 0.66320 24.31270 Si - 25.69913 1.05796 14.00280 Si - 22.59321 1.01453 13.77413 Si - 21.53849 0.71057 23.96181 Si - 24.17631 1.35600 22.60030 Si - 28.51776 16.33122 22.08513 Si - 26.42237 17.30036 24.13003 Si - 25.58060 16.33912 13.67031 Si - 22.47067 16.34109 13.38250 Si - 21.40991 17.35760 23.76994 Si - 24.00152 16.35885 22.46231 Si - 40.15589 18.35831 15.79406 O - 22.35013 18.27147 17.09511 O - 22.10905 17.04179 14.78606 O - 22.15525 19.67089 14.88463 O - 23.52539 18.97809 19.34765 O - 23.51133 0.87834 17.28830 O - 24.96986 18.42937 17.22391 O - 24.28881 17.17996 21.10605 O - 26.04869 18.83992 20.07441 O - 24.23658 19.71826 21.76841 O - 27.97533 17.24114 20.87344 O - 28.43539 19.00769 18.98099 O - 27.52129 18.19646 16.65091 O - 28.67245 0.81123 16.86381 O - 25.71319 17.14640 15.05548 O - 20.26880 2.86596 15.99250 O - 22.73987 3.33375 16.74685 O - 21.57063 4.93450 15.02262 O - 23.67205 2.74161 19.13607 O - 25.29331 2.79885 17.07146 O - 24.22251 4.93450 20.47392 O - 26.16522 3.32980 19.71694 O - 28.23047 4.93450 19.98241 O - 28.50972 2.62515 18.76020 O - 27.77041 3.21729 16.30397 O - 25.88396 4.93450 15.65606 O - 21.66907 18.33463 15.63635 Si - 23.58767 19.07480 17.74170 Si - 24.52587 18.68004 20.57380 Si - 27.63179 18.72347 20.34513 Si - 28.68651 19.02743 17.39081 Si - 26.04869 18.38200 16.02930 Si - 21.70725 3.40678 15.51413 Si - 23.80263 2.43764 17.55903 Si - 24.64440 3.39888 20.24131 Si - 27.75433 3.39691 19.95350 Si - 28.81509 2.38040 17.19894 Si - 26.22348 3.37915 15.89131 Si - 20.11411 8.48931 23.63194 O - 37.91987 8.40247 22.33089 O - 38.16096 7.17279 24.63994 O - 38.11475 9.80189 24.54137 O - 36.74461 9.10909 20.07835 O - 36.75867 10.74734 22.13770 O - 35.30014 8.56037 22.20209 O - 35.98119 7.31096 18.31995 O - 34.22131 8.97092 19.35159 O - 36.03342 9.84926 17.65759 O - 32.29467 7.37214 18.55256 O - 31.83461 9.13869 20.44501 O - 32.74871 8.32746 22.77509 O - 31.59755 10.68023 22.56219 O - 34.55681 7.27740 24.37052 O - 40.00120 12.73496 23.43350 O - 37.53013 13.20275 22.67915 O - 38.69937 14.80350 24.40338 O - 36.59795 12.61061 20.28993 O - 34.97669 12.66785 22.35454 O - 36.04749 14.80350 18.95208 O - 34.10478 13.19880 19.70906 O - 32.03953 14.80350 19.44359 O - 31.76028 12.49415 20.66580 O - 32.49959 13.08629 23.12203 O - 34.38604 14.80350 23.76994 O - 38.60093 8.46563 23.78965 Si - 36.68233 9.20580 21.68430 Si - 35.74413 8.81104 18.85220 Si - 32.63821 8.85447 19.08087 Si - 31.58349 9.15843 22.03519 Si - 34.22131 8.51300 23.39670 Si - 38.56276 13.27578 23.91187 Si - 36.46737 12.30664 21.86697 Si - 35.62560 13.26788 19.18469 Si - 32.51566 13.26591 19.47250 Si - 31.45491 12.24940 22.22706 Si - 34.04652 13.24815 23.53469 Si - 30.11089 11.24869 17.06094 O - 32.39513 11.33553 15.75989 O - 32.15405 12.56521 18.06894 O - 32.20025 9.93611 17.97037 O - 33.57039 10.62891 13.50735 O - 33.55633 8.99066 15.56670 O - 35.01486 11.17763 15.63109 O - 34.33381 12.42704 24.89095 O - 36.09369 10.76708 25.92260 O - 34.28158 9.88874 24.22859 O - 38.02032 12.36586 25.12356 O - 38.48039 10.59931 13.87401 O - 37.56629 11.41054 16.20409 O - 38.71745 9.05777 15.99119 O - 35.75819 12.46060 17.79952 O - 30.31380 7.00304 16.86250 O - 32.78487 6.53525 16.10815 O - 31.61563 4.93450 17.83238 O - 33.71705 7.12739 13.71893 O - 35.33831 7.07015 15.78354 O - 34.26751 4.93450 25.52308 O - 36.21022 6.53920 26.28006 O - 38.27547 4.93450 26.01459 O - 38.55472 7.24385 14.09479 O - 37.81541 6.65171 16.55103 O - 35.92896 4.93450 17.19894 O - 31.71407 11.27237 17.21865 Si - 33.63267 10.53220 15.11330 Si - 34.57087 10.92696 25.42320 Si - 37.67679 10.88353 25.65187 Si - 38.73151 10.57957 15.46419 Si - 36.09369 11.22500 16.82570 Si - 31.75224 6.46222 17.34087 Si - 33.84763 7.43136 15.29597 Si - 34.68940 6.47012 25.75569 Si - 37.79933 6.47209 26.04350 Si - 38.86009 7.48860 15.65606 Si - 36.26848 6.48985 16.96369 Si - 30.11089 18.35831 17.06094 O - 32.39513 18.27147 15.75989 O - 32.15405 17.04179 18.06894 O - 32.20025 19.67089 17.97037 O - 33.57039 18.97809 13.50735 O - 33.55633 0.87834 15.56670 O - 35.01486 18.42937 15.63109 O - 34.33381 17.17996 24.89095 O - 36.09369 18.83992 25.92260 O - 34.28158 19.71826 24.22859 O - 38.02032 17.24114 25.12356 O - 38.48039 19.00769 13.87401 O - 37.56629 18.19646 16.20409 O - 38.71745 0.81123 15.99119 O - 35.75819 17.14640 17.79952 O - 30.31380 2.86596 16.86250 O - 32.78487 3.33375 16.10815 O - 33.71705 2.74161 13.71893 O - 35.33831 2.79885 15.78354 O - 36.21022 3.32980 26.28006 O - 38.55472 2.62515 14.09479 O - 37.81541 3.21729 16.55103 O - 31.71407 18.33463 17.21865 Si - 33.63267 19.07480 15.11330 Si - 34.57087 18.68004 25.42320 Si - 37.67679 18.72347 25.65187 Si - 38.73151 19.02743 15.46419 Si - 36.09369 18.38200 16.82570 Si - 31.75224 3.40678 17.34087 Si - 33.84763 2.43764 15.29597 Si - 34.68940 3.39888 25.75569 Si - 37.79933 3.39691 26.04350 Si - 38.86009 2.38040 15.65606 Si - 36.26848 3.37915 16.96369 Si - 20.11411 1.37969 23.63194 O - 37.91987 1.46653 22.33089 O - 38.16096 2.69621 24.63994 O - 38.11475 0.06711 24.54137 O - 36.74461 0.75991 20.07835 O - 36.75867 18.85966 22.13770 O - 35.30014 1.30863 22.20209 O - 35.98119 2.55804 18.31995 O - 34.22131 0.89808 19.35160 O - 36.03342 0.01974 17.65759 O - 32.29467 2.49686 18.55256 O - 31.83461 0.73031 20.44501 O - 32.74871 1.54154 22.77509 O - 31.59755 18.92677 22.56219 O - 34.55681 2.59160 24.37052 O - 40.00120 16.87204 23.43350 O - 37.53013 16.40425 22.67915 O - 36.59795 16.99639 20.28993 O - 34.97669 16.93915 22.35454 O - 34.10478 16.40820 19.70906 O - 31.76028 17.11285 20.66580 O - 32.49959 16.52071 23.12203 O - 38.60093 1.40337 23.78965 Si - 36.68233 0.66320 21.68430 Si - 35.74413 1.05796 18.85220 Si - 32.63821 1.01453 19.08087 Si - 31.58349 0.71057 22.03519 Si - 34.22131 1.35600 23.39670 Si - 38.56276 16.33122 23.91187 Si - 36.46737 17.30036 21.86697 Si - 35.62560 16.33912 19.18469 Si - 32.51566 16.34109 19.47250 Si - 31.45491 17.35760 22.22706 Si - 34.04652 16.35885 23.53469 Si - 40.15589 11.24869 15.79406 O - 22.35013 11.33553 17.09511 O - 22.10905 12.56521 14.78606 O - 22.15525 9.93611 14.88463 O - 23.52539 10.62891 19.34765 O - 23.51133 8.99066 17.28830 O - 24.96986 11.17763 17.22391 O - 24.28881 12.42704 21.10605 O - 26.04869 10.76708 20.07441 O - 24.23658 9.88874 21.76841 O - 27.97533 12.36586 20.87344 O - 28.43539 10.59931 18.98099 O - 27.52129 11.41054 16.65091 O - 28.67245 9.05777 16.86381 O - 25.71319 12.46060 15.05548 O - 20.26880 7.00304 15.99250 O - 22.73987 6.53525 16.74685 O - 23.67205 7.12739 19.13607 O - 25.29331 7.07015 17.07146 O - 26.16522 6.53920 19.71694 O - 28.50972 7.24385 18.76020 O - 27.77041 6.65171 16.30397 O - 21.66907 11.27237 15.63635 Si - 23.58767 10.53220 17.74170 Si - 24.52587 10.92696 20.57380 Si - 27.63179 10.88353 20.34513 Si - 28.68651 10.57957 17.39081 Si - 26.04869 11.22500 16.02930 Si - 21.70725 6.46222 15.51413 Si - 23.80263 7.43136 17.55903 Si - 24.64440 6.47012 20.24131 Si - 27.75433 6.47209 19.95350 Si - 28.81509 7.48860 17.19894 Si - 26.22348 6.48985 15.89131 Si - 30.15911 8.48931 22.36506 O - 27.87487 8.40247 23.66611 O - 28.11595 7.17279 21.35706 O - 28.06975 9.80189 21.45563 O - 26.69961 9.10909 25.91865 O - 26.71367 10.74734 23.85930 O - 25.25514 8.56037 23.79491 O - 25.93619 7.31096 14.53505 O - 24.17631 8.97092 13.50341 O - 25.98842 9.84926 15.19741 O - 22.24967 7.37214 14.30244 O - 21.78961 9.13869 25.55199 O - 22.70371 8.32746 23.22191 O - 21.55255 10.68023 23.43481 O - 24.51181 7.27740 21.62648 O - 29.95620 12.73496 22.56350 O - 27.48513 13.20275 23.31785 O - 26.55295 12.61061 25.70707 O - 24.93169 12.66785 23.64246 O - 24.05978 13.19880 13.14594 O - 21.71528 12.49415 25.33121 O - 22.45459 13.08629 22.87497 O - 28.55593 8.46563 22.20735 Si - 26.63733 9.20580 24.31270 Si - 25.69913 8.81104 14.00280 Si - 22.59321 8.85447 13.77413 Si - 21.53849 9.15843 23.96181 Si - 24.17631 8.51300 22.60030 Si - 28.51776 13.27578 22.08513 Si - 26.42237 12.30664 24.13003 Si - 25.58060 13.26788 13.67031 Si - 22.47067 13.26591 13.38250 Si - 21.40991 12.24940 23.76994 Si - 24.00152 13.24815 22.46231 Si - 30.15911 1.37969 35.50706 O - 27.87488 1.46653 36.80811 O - 28.11596 2.69621 34.49906 O - 28.06975 0.06711 34.59763 O - 26.69961 0.75991 39.06065 O - 26.71367 18.85966 37.00130 O - 25.25514 1.30863 36.93691 O - 25.93619 2.55804 27.67705 O - 24.17631 0.89808 26.64541 O - 25.98842 0.01974 28.33941 O - 22.24967 2.49686 27.44444 O - 21.78961 0.73031 38.69399 O - 22.70371 1.54154 36.36391 O - 21.55255 18.92677 36.57681 O - 24.51181 2.59160 34.76848 O - 29.95620 16.87204 35.70550 O - 27.48513 16.40425 36.45985 O - 28.65437 14.80350 34.73562 O - 26.55295 16.99639 38.84907 O - 24.93169 16.93915 36.78446 O - 26.00249 14.80350 27.04492 O - 24.05978 16.40820 26.28794 O - 21.99453 14.80350 26.55341 O - 21.71528 17.11285 38.47321 O - 22.45459 16.52071 36.01697 O - 24.34104 14.80350 35.36906 O - 28.55593 1.40337 35.34935 Si - 26.63733 0.66320 37.45470 Si - 25.69913 1.05796 27.14480 Si - 22.59321 1.01453 26.91613 Si - 21.53849 0.71057 37.10381 Si - 24.17631 1.35600 35.74230 Si - 28.51776 16.33122 35.22713 Si - 26.42237 17.30036 37.27203 Si - 25.58060 16.33912 26.81231 Si - 22.47067 16.34109 26.52450 Si - 21.40991 17.35760 36.91194 Si - 24.00152 16.35885 35.60431 Si - 40.15589 18.35831 28.93606 O - 22.35013 18.27147 30.23711 O - 22.10905 17.04179 27.92806 O - 22.15525 19.67089 28.02663 O - 23.52539 18.97809 32.48965 O - 23.51133 0.87834 30.43030 O - 24.96986 18.42937 30.36591 O - 24.28881 17.17996 34.24805 O - 26.04869 18.83992 33.21641 O - 24.23658 19.71826 34.91041 O - 27.97533 17.24114 34.01544 O - 28.43539 19.00769 32.12299 O - 27.52129 18.19646 29.79291 O - 28.67245 0.81123 30.00581 O - 25.71319 17.14640 28.19748 O - 20.26880 2.86596 29.13450 O - 22.73987 3.33375 29.88885 O - 21.57063 4.93450 28.16462 O - 23.67205 2.74161 32.27807 O - 25.29331 2.79885 30.21346 O - 24.22251 4.93450 33.61592 O - 26.16522 3.32980 32.85894 O - 28.23047 4.93450 33.12441 O - 28.50972 2.62515 31.90221 O - 27.77041 3.21729 29.44597 O - 25.88396 4.93450 28.79806 O - 21.66907 18.33463 28.77835 Si - 23.58767 19.07480 30.88370 Si - 24.52587 18.68004 33.71580 Si - 27.63179 18.72347 33.48713 Si - 28.68651 19.02743 30.53281 Si - 26.04869 18.38200 29.17130 Si - 21.70725 3.40678 28.65613 Si - 23.80263 2.43764 30.70103 Si - 24.64440 3.39888 33.38331 Si - 27.75434 3.39691 33.09550 Si - 28.81509 2.38040 30.34094 Si - 26.22348 3.37915 29.03331 Si - 20.11411 8.48931 36.77394 O - 37.91987 8.40247 35.47289 O - 38.16096 7.17279 37.78194 O - 38.11475 9.80189 37.68337 O - 36.74461 9.10909 33.22035 O - 36.75867 10.74734 35.27970 O - 35.30014 8.56037 35.34409 O - 35.98119 7.31096 31.46195 O - 34.22131 8.97092 32.49360 O - 36.03342 9.84926 30.79959 O - 32.29467 7.37214 31.69456 O - 31.83461 9.13869 33.58701 O - 32.74871 8.32746 35.91709 O - 31.59755 10.68023 35.70419 O - 34.55681 7.27740 37.51252 O - 40.00120 12.73496 36.57550 O - 37.53013 13.20275 35.82115 O - 38.69937 14.80350 37.54538 O - 36.59795 12.61061 33.43193 O - 34.97669 12.66785 35.49654 O - 36.04749 14.80350 32.09408 O - 34.10478 13.19880 32.85106 O - 32.03953 14.80350 32.58559 O - 31.76028 12.49415 33.80779 O - 32.49959 13.08629 36.26403 O - 34.38604 14.80350 36.91194 O - 38.60093 8.46563 36.93165 Si - 36.68233 9.20580 34.82630 Si - 35.74413 8.81104 31.99420 Si - 32.63821 8.85447 32.22287 Si - 31.58349 9.15843 35.17719 Si - 34.22131 8.51300 36.53870 Si - 38.56276 13.27578 37.05387 Si - 36.46737 12.30664 35.00897 Si - 35.62560 13.26788 32.32669 Si - 32.51566 13.26591 32.61450 Si - 31.45491 12.24940 35.36906 Si - 34.04652 13.24815 36.67669 Si - 30.11089 11.24869 30.20294 O - 32.39513 11.33553 28.90189 O - 32.15405 12.56521 31.21094 O - 32.20025 9.93611 31.11237 O - 33.57039 10.62891 26.64935 O - 33.55633 8.99066 28.70870 O - 35.01486 11.17763 28.77309 O - 34.33381 12.42704 38.03295 O - 36.09369 10.76708 39.06460 O - 34.28158 9.88874 37.37059 O - 38.02032 12.36586 38.26556 O - 38.48039 10.59931 27.01601 O - 37.56629 11.41054 29.34609 O - 38.71745 9.05777 29.13319 O - 35.75819 12.46060 30.94152 O - 30.31380 7.00304 30.00450 O - 32.78487 6.53525 29.25015 O - 31.61563 4.93450 30.97438 O - 33.71705 7.12739 26.86093 O - 35.33831 7.07015 28.92554 O - 34.26751 4.93450 38.66508 O - 36.21022 6.53920 39.42206 O - 38.27547 4.93450 39.15659 O - 38.55472 7.24385 27.23680 O - 37.81541 6.65171 29.69303 O - 35.92896 4.93450 30.34094 O - 31.71407 11.27237 30.36065 Si - 33.63267 10.53220 28.25530 Si - 34.57087 10.92696 38.56520 Si - 37.67679 10.88353 38.79387 Si - 38.73151 10.57957 28.60619 Si - 36.09369 11.22500 29.96770 Si - 31.75225 6.46222 30.48287 Si - 33.84763 7.43136 28.43797 Si - 34.68940 6.47012 38.89769 Si - 37.79933 6.47209 39.18550 Si - 38.86009 7.48860 28.79806 Si - 36.26848 6.48985 30.10569 Si - 30.11089 18.35831 30.20294 O - 32.39513 18.27147 28.90189 O - 32.15405 17.04179 31.21094 O - 32.20025 19.67089 31.11237 O - 33.57039 18.97809 26.64935 O - 33.55633 0.87834 28.70870 O - 35.01486 18.42937 28.77309 O - 34.33381 17.17996 38.03295 O - 36.09369 18.83992 39.06460 O - 34.28158 19.71826 37.37059 O - 38.02032 17.24114 38.26556 O - 38.48039 19.00769 27.01601 O - 37.56629 18.19646 29.34609 O - 38.71745 0.81123 29.13319 O - 35.75819 17.14640 30.94152 O - 30.31380 2.86596 30.00450 O - 32.78487 3.33375 29.25015 O - 33.71705 2.74161 26.86093 O - 35.33831 2.79885 28.92554 O - 36.21022 3.32980 39.42206 O - 38.55472 2.62515 27.23680 O - 37.81541 3.21729 29.69303 O - 31.71407 18.33463 30.36065 Si - 33.63267 19.07480 28.25530 Si - 34.57087 18.68004 38.56520 Si - 37.67679 18.72347 38.79387 Si - 38.73151 19.02743 28.60619 Si - 36.09369 18.38200 29.96770 Si - 31.75225 3.40678 30.48287 Si - 33.84763 2.43764 28.43797 Si - 34.68940 3.39888 38.89769 Si - 37.79933 3.39691 39.18550 Si - 38.86009 2.38040 28.79806 Si - 36.26848 3.37915 30.10569 Si - 20.11411 1.37969 36.77394 O - 37.91987 1.46653 35.47289 O - 38.16096 2.69621 37.78194 O - 38.11475 0.06711 37.68337 O - 36.74461 0.75991 33.22035 O - 36.75867 18.85966 35.27970 O - 35.30014 1.30863 35.34409 O - 35.98119 2.55804 31.46195 O - 34.22131 0.89808 32.49360 O - 36.03342 0.01974 30.79959 O - 32.29467 2.49686 31.69456 O - 31.83461 0.73031 33.58701 O - 32.74871 1.54154 35.91709 O - 31.59755 18.92677 35.70419 O - 34.55681 2.59160 37.51252 O - 40.00120 16.87204 36.57550 O - 37.53013 16.40425 35.82115 O - 36.59795 16.99639 33.43193 O - 34.97669 16.93915 35.49654 O - 34.10478 16.40820 32.85106 O - 31.76028 17.11285 33.80779 O - 32.49959 16.52071 36.26403 O - 38.60093 1.40337 36.93165 Si - 36.68233 0.66320 34.82630 Si - 35.74413 1.05796 31.99420 Si - 32.63821 1.01453 32.22287 Si - 31.58349 0.71057 35.17719 Si - 34.22131 1.35600 36.53870 Si - 38.56276 16.33122 37.05387 Si - 36.46737 17.30036 35.00897 Si - 35.62560 16.33912 32.32669 Si - 32.51566 16.34109 32.61450 Si - 31.45491 17.35760 35.36906 Si - 34.04652 16.35885 36.67669 Si - 40.15589 11.24869 28.93606 O - 22.35013 11.33553 30.23711 O - 22.10905 12.56521 27.92806 O - 22.15525 9.93611 28.02663 O - 23.52539 10.62891 32.48965 O - 23.51133 8.99066 30.43030 O - 24.96986 11.17763 30.36591 O - 24.28881 12.42704 34.24805 O - 26.04869 10.76708 33.21641 O - 24.23658 9.88874 34.91041 O - 27.97533 12.36586 34.01544 O - 28.43539 10.59931 32.12299 O - 27.52129 11.41054 29.79291 O - 28.67245 9.05777 30.00581 O - 25.71319 12.46060 28.19748 O - 20.26880 7.00304 29.13450 O - 22.73987 6.53525 29.88885 O - 23.67205 7.12739 32.27807 O - 25.29331 7.07015 30.21346 O - 26.16522 6.53920 32.85894 O - 28.50972 7.24385 31.90221 O - 27.77041 6.65171 29.44597 O - 21.66907 11.27237 28.77835 Si - 23.58767 10.53220 30.88370 Si - 24.52587 10.92696 33.71580 Si - 27.63179 10.88353 33.48713 Si - 28.68651 10.57957 30.53281 Si - 26.04869 11.22500 29.17130 Si - 21.70725 6.46222 28.65613 Si - 23.80263 7.43136 30.70103 Si - 24.64440 6.47012 33.38331 Si - 27.75434 6.47209 33.09550 Si - 28.81509 7.48860 30.34094 Si - 26.22348 6.48985 29.03331 Si - 30.15911 8.48931 35.50706 O - 27.87488 8.40247 36.80811 O - 28.11596 7.17279 34.49906 O - 28.06975 9.80189 34.59763 O - 26.69961 9.10909 39.06065 O - 26.71367 10.74734 37.00130 O - 25.25514 8.56037 36.93691 O - 25.93619 7.31096 27.67705 O - 24.17631 8.97092 26.64541 O - 25.98842 9.84926 28.33941 O - 22.24967 7.37214 27.44444 O - 21.78961 9.13869 38.69399 O - 22.70371 8.32746 36.36391 O - 21.55255 10.68023 36.57681 O - 24.51181 7.27740 34.76848 O - 29.95620 12.73496 35.70550 O - 27.48513 13.20275 36.45985 O - 26.55295 12.61061 38.84907 O - 24.93169 12.66785 36.78446 O - 24.05978 13.19880 26.28794 O - 21.71528 12.49415 38.47321 O - 22.45459 13.08629 36.01697 O - 28.55593 8.46563 35.34935 Si - 26.63733 9.20580 37.45470 Si - 25.69913 8.81104 27.14480 Si - 22.59321 8.85447 26.91613 Si - 21.53849 9.15843 37.10381 Si - 24.17631 8.51300 35.74230 Si - 28.51776 13.27578 35.22713 Si - 26.42237 12.30664 37.27203 Si - 25.58060 13.26788 26.81231 Si - 22.47067 13.26591 26.52450 Si - 21.40991 12.24940 36.91194 Si - 24.00152 13.24815 35.60431 Si - 30.15911 21.11769 9.22306 O - 27.87487 21.20453 10.52411 O - 28.11595 22.43421 8.21506 O - 28.06975 19.80511 8.31363 O - 26.69961 20.49791 12.77665 O - 26.71367 38.59766 10.71730 O - 25.25514 21.04663 10.65291 O - 25.93619 22.29604 1.39305 O - 24.17631 20.63608 0.36141 O - 25.98842 19.75774 2.05541 O - 22.24967 22.23486 1.16044 O - 21.78961 20.46831 12.40999 O - 22.70371 21.27954 10.07991 O - 21.55255 38.66477 10.29281 O - 24.51181 22.32960 8.48448 O - 29.95620 36.61004 9.42150 O - 27.48513 36.14225 10.17585 O - 28.65437 34.54150 8.45162 O - 26.55295 36.73439 12.56507 O - 24.93169 36.67715 10.50046 O - 26.00249 34.54150 0.76092 O - 24.05978 36.14620 0.00394 O - 21.99453 34.54150 0.26941 O - 21.71528 36.85085 12.18920 O - 22.45459 36.25871 9.73297 O - 24.34104 34.54150 9.08506 O - 28.55593 21.14137 9.06535 Si - 26.63733 20.40120 11.17070 Si - 25.69913 20.79596 0.86080 Si - 22.59321 20.75253 0.63213 Si - 21.53849 20.44857 10.81981 Si - 24.17631 21.09400 9.45830 Si - 28.51776 36.06922 8.94313 Si - 26.42237 37.03836 10.98803 Si - 25.58060 36.07712 0.52831 Si - 22.47067 36.07909 0.24050 Si - 21.40991 37.09560 10.62794 Si - 24.00152 36.09685 9.32031 Si - 40.15589 38.09631 2.65206 O - 22.35013 38.00947 3.95311 O - 22.10905 36.77979 1.64406 O - 22.15525 39.40889 1.74263 O - 23.52539 38.71609 6.20565 O - 23.51133 20.61634 4.14630 O - 24.96986 38.16737 4.08191 O - 24.28881 36.91796 7.96405 O - 26.04869 38.57792 6.93240 O - 24.23658 39.45626 8.62641 O - 27.97533 36.97914 7.73144 O - 28.43539 38.74569 5.83899 O - 27.52129 37.93446 3.50891 O - 28.67245 20.54923 3.72181 O - 25.71319 36.88440 1.91348 O - 20.26880 22.60396 2.85050 O - 22.73987 23.07175 3.60485 O - 21.57063 24.67250 1.88062 O - 23.67205 22.47961 5.99407 O - 25.29331 22.53685 3.92946 O - 24.22251 24.67250 7.33192 O - 26.16522 23.06780 6.57494 O - 28.23047 24.67250 6.84041 O - 28.50972 22.36315 5.61820 O - 27.77041 22.95529 3.16197 O - 25.88396 24.67250 2.51406 O - 21.66907 38.07263 2.49435 Si - 23.58767 38.81280 4.59970 Si - 24.52587 38.41804 7.43180 Si - 27.63179 38.46147 7.20313 Si - 28.68651 38.76543 4.24881 Si - 26.04869 38.12000 2.88730 Si - 21.70725 23.14478 2.37213 Si - 23.80263 22.17564 4.41703 Si - 24.64440 23.13688 7.09931 Si - 27.75433 23.13491 6.81150 Si - 28.81509 22.11840 4.05694 Si - 26.22348 23.11715 2.74931 Si - 20.11411 28.22731 10.48994 O - 37.91987 28.14047 9.18889 O - 38.16096 26.91079 11.49794 O - 38.11475 29.53989 11.39937 O - 36.74461 28.84709 6.93635 O - 36.75867 30.48534 8.99570 O - 35.30014 28.29837 9.06009 O - 35.98119 27.04896 5.17795 O - 34.22131 28.70892 6.20960 O - 36.03342 29.58726 4.51559 O - 32.29467 27.11014 5.41056 O - 31.83461 28.87669 7.30301 O - 32.74871 28.06546 9.63309 O - 31.59755 30.41823 9.42019 O - 34.55681 27.01540 11.22852 O - 40.00120 32.47296 10.29150 O - 37.53013 32.94075 9.53715 O - 38.69937 34.54150 11.26138 O - 36.59795 32.34861 7.14793 O - 34.97669 32.40585 9.21254 O - 36.04749 34.54150 5.81008 O - 34.10478 32.93680 6.56706 O - 32.03953 34.54150 6.30159 O - 31.76028 32.23215 7.52379 O - 32.49959 32.82429 9.98003 O - 34.38604 34.54150 10.62794 O - 38.60093 28.20363 10.64765 Si - 36.68233 28.94380 8.54230 Si - 35.74413 28.54904 5.71020 Si - 32.63821 28.59247 5.93887 Si - 31.58349 28.89643 8.89319 Si - 34.22131 28.25100 10.25470 Si - 38.56276 33.01378 10.76987 Si - 36.46737 32.04464 8.72497 Si - 35.62560 33.00588 6.04269 Si - 32.51566 33.00391 6.33050 Si - 31.45491 31.98740 9.08506 Si - 34.04652 32.98615 10.39269 Si - 30.11089 30.98669 3.91894 O - 32.39513 31.07353 2.61789 O - 32.15405 32.30321 4.92694 O - 32.20025 29.67411 4.82837 O - 33.57039 30.36691 0.36535 O - 33.55633 28.72866 2.42470 O - 35.01486 30.91563 2.48909 O - 34.33381 32.16504 11.74895 O - 36.09369 30.50508 12.78059 O - 34.28158 29.62674 11.08659 O - 38.02032 32.10386 11.98156 O - 38.48039 30.33731 0.73201 O - 37.56629 31.14854 3.06209 O - 38.71745 28.79577 2.84919 O - 35.75819 32.19860 4.65752 O - 30.31380 26.74104 3.72050 O - 32.78487 26.27325 2.96615 O - 31.61563 24.67250 4.69038 O - 33.71705 26.86539 0.57693 O - 35.33831 26.80815 2.64154 O - 34.26751 24.67250 12.38108 O - 36.21022 26.27720 13.13806 O - 38.27547 24.67250 12.87259 O - 38.55472 26.98185 0.95280 O - 37.81541 26.38971 3.40903 O - 35.92896 24.67250 4.05694 O - 31.71407 31.01037 4.07665 Si - 33.63267 30.27020 1.97130 Si - 34.57087 30.66496 12.28120 Si - 37.67679 30.62153 12.50987 Si - 38.73151 30.31757 2.32219 Si - 36.09369 30.96300 3.68370 Si - 31.75224 26.20022 4.19887 Si - 33.84763 27.16936 2.15397 Si - 34.68940 26.20812 12.61369 Si - 37.79933 26.21009 12.90150 Si - 38.86009 27.22660 2.51406 Si - 36.26848 26.22785 3.82169 Si - 30.11089 38.09631 3.91894 O - 32.39513 38.00947 2.61789 O - 32.15405 36.77979 4.92694 O - 32.20025 39.40889 4.82837 O - 33.57039 38.71609 0.36535 O - 33.55633 20.61634 2.42470 O - 35.01486 38.16737 2.48909 O - 34.33381 36.91796 11.74895 O - 36.09369 38.57792 12.78059 O - 34.28158 39.45626 11.08659 O - 38.02032 36.97914 11.98156 O - 38.48039 38.74569 0.73201 O - 37.56629 37.93446 3.06209 O - 38.71745 20.54923 2.84919 O - 35.75819 36.88440 4.65752 O - 30.31380 22.60396 3.72050 O - 32.78487 23.07175 2.96615 O - 33.71705 22.47961 0.57693 O - 35.33831 22.53685 2.64154 O - 36.21022 23.06780 13.13806 O - 38.55472 22.36315 0.95280 O - 37.81541 22.95529 3.40903 O - 31.71407 38.07263 4.07665 Si - 33.63267 38.81280 1.97130 Si - 34.57087 38.41804 12.28120 Si - 37.67679 38.46147 12.50987 Si - 38.73151 38.76543 2.32219 Si - 36.09369 38.12000 3.68370 Si - 31.75224 23.14478 4.19887 Si - 33.84763 22.17564 2.15397 Si - 34.68940 23.13688 12.61369 Si - 37.79933 23.13491 12.90150 Si - 38.86009 22.11840 2.51406 Si - 36.26848 23.11715 3.82169 Si - 20.11411 21.11769 10.48994 O - 37.91987 21.20453 9.18889 O - 38.16096 22.43421 11.49794 O - 38.11475 19.80511 11.39937 O - 36.74461 20.49791 6.93635 O - 36.75867 38.59766 8.99570 O - 35.30014 21.04663 9.06009 O - 35.98119 22.29604 5.17795 O - 34.22131 20.63608 6.20960 O - 36.03342 19.75774 4.51559 O - 32.29467 22.23486 5.41056 O - 31.83461 20.46831 7.30301 O - 32.74871 21.27954 9.63309 O - 31.59755 38.66477 9.42019 O - 34.55681 22.32960 11.22852 O - 40.00120 36.61004 10.29150 O - 37.53013 36.14225 9.53715 O - 36.59795 36.73439 7.14793 O - 34.97669 36.67715 9.21254 O - 34.10478 36.14620 6.56706 O - 31.76028 36.85085 7.52379 O - 32.49959 36.25871 9.98003 O - 38.60093 21.14137 10.64765 Si - 36.68233 20.40120 8.54230 Si - 35.74413 20.79596 5.71020 Si - 32.63821 20.75253 5.93887 Si - 31.58349 20.44857 8.89319 Si - 34.22131 21.09400 10.25470 Si - 38.56276 36.06922 10.76987 Si - 36.46737 37.03836 8.72497 Si - 35.62560 36.07712 6.04269 Si - 32.51566 36.07909 6.33050 Si - 31.45491 37.09560 9.08506 Si - 34.04652 36.09685 10.39269 Si - 40.15589 30.98669 2.65206 O - 22.35013 31.07353 3.95311 O - 22.10905 32.30321 1.64406 O - 22.15525 29.67411 1.74263 O - 23.52539 30.36691 6.20565 O - 23.51133 28.72866 4.14630 O - 24.96986 30.91563 4.08191 O - 24.28881 32.16504 7.96405 O - 26.04869 30.50508 6.93241 O - 24.23658 29.62674 8.62641 O - 27.97533 32.10386 7.73144 O - 28.43539 30.33731 5.83899 O - 27.52129 31.14854 3.50891 O - 28.67245 28.79577 3.72181 O - 25.71319 32.19860 1.91348 O - 20.26880 26.74104 2.85050 O - 22.73987 26.27325 3.60485 O - 23.67205 26.86539 5.99407 O - 25.29331 26.80815 3.92946 O - 26.16522 26.27720 6.57494 O - 28.50972 26.98185 5.61820 O - 27.77041 26.38971 3.16197 O - 21.66907 31.01037 2.49435 Si - 23.58767 30.27020 4.59970 Si - 24.52587 30.66496 7.43180 Si - 27.63179 30.62153 7.20313 Si - 28.68651 30.31757 4.24881 Si - 26.04869 30.96300 2.88730 Si - 21.70725 26.20022 2.37213 Si - 23.80263 27.16936 4.41703 Si - 24.64440 26.20812 7.09931 Si - 27.75433 26.21009 6.81150 Si - 28.81509 27.22660 4.05694 Si - 26.22348 26.22785 2.74931 Si - 30.15911 28.22731 9.22306 O - 27.87487 28.14047 10.52411 O - 28.11595 26.91079 8.21506 O - 28.06975 29.53989 8.31363 O - 26.69961 28.84709 12.77665 O - 26.71367 30.48534 10.71730 O - 25.25514 28.29837 10.65291 O - 25.93619 27.04896 1.39305 O - 24.17631 28.70892 0.36141 O - 25.98842 29.58726 2.05541 O - 22.24967 27.11014 1.16044 O - 21.78961 28.87669 12.40999 O - 22.70371 28.06546 10.07991 O - 21.55255 30.41823 10.29281 O - 24.51181 27.01540 8.48448 O - 29.95620 32.47296 9.42150 O - 27.48513 32.94075 10.17585 O - 26.55295 32.34861 12.56507 O - 24.93169 32.40585 10.50046 O - 24.05978 32.93680 0.00394 O - 21.71528 32.23215 12.18920 O - 22.45459 32.82429 9.73297 O - 28.55593 28.20363 9.06535 Si - 26.63733 28.94380 11.17070 Si - 25.69913 28.54904 0.86080 Si - 22.59321 28.59247 0.63213 Si - 21.53849 28.89643 10.81981 Si - 24.17631 28.25100 9.45830 Si - 28.51776 33.01378 8.94313 Si - 26.42237 32.04464 10.98803 Si - 25.58060 33.00588 0.52831 Si - 22.47067 33.00391 0.24050 Si - 21.40991 31.98740 10.62794 Si - 24.00152 32.98615 9.32031 Si - 30.15911 21.11769 22.36506 O - 27.87487 21.20453 23.66611 O - 28.11595 22.43421 21.35706 O - 28.06975 19.80511 21.45563 O - 26.69961 20.49791 25.91865 O - 26.71367 38.59766 23.85930 O - 25.25514 21.04663 23.79491 O - 25.93619 22.29604 14.53505 O - 24.17631 20.63608 13.50341 O - 25.98842 19.75774 15.19741 O - 22.24967 22.23486 14.30244 O - 21.78961 20.46831 25.55199 O - 22.70371 21.27954 23.22191 O - 21.55255 38.66477 23.43481 O - 24.51181 22.32960 21.62648 O - 29.95620 36.61004 22.56350 O - 27.48513 36.14225 23.31785 O - 28.65437 34.54150 21.59362 O - 26.55295 36.73439 25.70707 O - 24.93169 36.67715 23.64246 O - 26.00249 34.54150 13.90292 O - 24.05978 36.14620 13.14594 O - 21.99453 34.54150 13.41141 O - 21.71528 36.85085 25.33121 O - 22.45459 36.25871 22.87497 O - 24.34104 34.54150 22.22706 O - 28.55593 21.14137 22.20735 Si - 26.63733 20.40120 24.31270 Si - 25.69913 20.79596 14.00280 Si - 22.59321 20.75253 13.77413 Si - 21.53849 20.44857 23.96181 Si - 24.17631 21.09400 22.60030 Si - 28.51776 36.06922 22.08513 Si - 26.42237 37.03836 24.13003 Si - 25.58060 36.07712 13.67031 Si - 22.47067 36.07909 13.38250 Si - 21.40991 37.09560 23.76994 Si - 24.00152 36.09685 22.46231 Si - 40.15589 38.09631 15.79406 O - 22.35013 38.00947 17.09511 O - 22.10905 36.77979 14.78606 O - 22.15525 39.40889 14.88463 O - 23.52539 38.71609 19.34765 O - 23.51133 20.61634 17.28830 O - 24.96986 38.16737 17.22391 O - 24.28881 36.91796 21.10605 O - 26.04869 38.57792 20.07441 O - 24.23658 39.45626 21.76841 O - 27.97533 36.97914 20.87344 O - 28.43539 38.74569 18.98099 O - 27.52129 37.93446 16.65091 O - 28.67245 20.54923 16.86381 O - 25.71319 36.88440 15.05548 O - 20.26880 22.60396 15.99250 O - 22.73987 23.07175 16.74685 O - 21.57063 24.67250 15.02262 O - 23.67205 22.47961 19.13607 O - 25.29331 22.53685 17.07146 O - 24.22251 24.67250 20.47392 O - 26.16522 23.06780 19.71694 O - 28.23047 24.67250 19.98241 O - 28.50972 22.36315 18.76020 O - 27.77041 22.95529 16.30397 O - 25.88396 24.67250 15.65606 O - 21.66907 38.07263 15.63635 Si - 23.58767 38.81280 17.74170 Si - 24.52587 38.41804 20.57380 Si - 27.63179 38.46147 20.34513 Si - 28.68651 38.76543 17.39081 Si - 26.04869 38.12000 16.02930 Si - 21.70725 23.14478 15.51413 Si - 23.80263 22.17564 17.55903 Si - 24.64440 23.13688 20.24131 Si - 27.75433 23.13491 19.95350 Si - 28.81509 22.11840 17.19894 Si - 26.22348 23.11715 15.89131 Si - 20.11411 28.22731 23.63194 O - 37.91987 28.14047 22.33089 O - 38.16096 26.91079 24.63994 O - 38.11475 29.53989 24.54137 O - 36.74461 28.84709 20.07835 O - 36.75867 30.48534 22.13770 O - 35.30014 28.29837 22.20209 O - 35.98119 27.04896 18.31995 O - 34.22131 28.70892 19.35159 O - 36.03342 29.58726 17.65759 O - 32.29467 27.11014 18.55256 O - 31.83461 28.87669 20.44501 O - 32.74871 28.06546 22.77509 O - 31.59755 30.41823 22.56219 O - 34.55681 27.01540 24.37052 O - 40.00120 32.47296 23.43350 O - 37.53013 32.94075 22.67915 O - 38.69937 34.54150 24.40338 O - 36.59795 32.34861 20.28993 O - 34.97669 32.40585 22.35454 O - 36.04749 34.54150 18.95208 O - 34.10478 32.93680 19.70906 O - 32.03953 34.54150 19.44359 O - 31.76028 32.23215 20.66580 O - 32.49959 32.82429 23.12203 O - 34.38604 34.54150 23.76994 O - 38.60093 28.20363 23.78965 Si - 36.68233 28.94380 21.68430 Si - 35.74413 28.54904 18.85220 Si - 32.63821 28.59247 19.08087 Si - 31.58349 28.89643 22.03519 Si - 34.22131 28.25100 23.39670 Si - 38.56276 33.01378 23.91187 Si - 36.46737 32.04464 21.86697 Si - 35.62560 33.00588 19.18469 Si - 32.51566 33.00391 19.47250 Si - 31.45491 31.98740 22.22706 Si - 34.04652 32.98615 23.53469 Si - 30.11089 30.98669 17.06094 O - 32.39513 31.07353 15.75989 O - 32.15405 32.30321 18.06894 O - 32.20025 29.67411 17.97037 O - 33.57039 30.36691 13.50735 O - 33.55633 28.72866 15.56670 O - 35.01486 30.91563 15.63109 O - 34.33381 32.16504 24.89095 O - 36.09369 30.50508 25.92260 O - 34.28158 29.62674 24.22859 O - 38.02032 32.10386 25.12356 O - 38.48039 30.33731 13.87401 O - 37.56629 31.14854 16.20409 O - 38.71745 28.79577 15.99119 O - 35.75819 32.19860 17.79952 O - 30.31380 26.74104 16.86250 O - 32.78487 26.27325 16.10815 O - 31.61563 24.67250 17.83238 O - 33.71705 26.86539 13.71893 O - 35.33831 26.80815 15.78354 O - 34.26751 24.67250 25.52308 O - 36.21022 26.27720 26.28006 O - 38.27547 24.67250 26.01459 O - 38.55472 26.98185 14.09479 O - 37.81541 26.38971 16.55103 O - 35.92896 24.67250 17.19894 O - 31.71407 31.01037 17.21865 Si - 33.63267 30.27020 15.11330 Si - 34.57087 30.66496 25.42320 Si - 37.67679 30.62153 25.65187 Si - 38.73151 30.31757 15.46419 Si - 36.09369 30.96300 16.82570 Si - 31.75224 26.20022 17.34087 Si - 33.84763 27.16936 15.29597 Si - 34.68940 26.20812 25.75569 Si - 37.79933 26.21009 26.04350 Si - 38.86009 27.22660 15.65606 Si - 36.26848 26.22785 16.96369 Si - 30.11089 38.09631 17.06094 O - 32.39513 38.00947 15.75989 O - 32.15405 36.77979 18.06894 O - 32.20025 39.40889 17.97037 O - 33.57039 38.71609 13.50735 O - 33.55633 20.61634 15.56670 O - 35.01486 38.16737 15.63109 O - 34.33381 36.91796 24.89095 O - 36.09369 38.57792 25.92260 O - 34.28158 39.45626 24.22859 O - 38.02032 36.97914 25.12356 O - 38.48039 38.74569 13.87401 O - 37.56629 37.93446 16.20409 O - 38.71745 20.54923 15.99119 O - 35.75819 36.88440 17.79952 O - 30.31380 22.60396 16.86250 O - 32.78487 23.07175 16.10815 O - 33.71705 22.47961 13.71893 O - 35.33831 22.53685 15.78354 O - 36.21022 23.06780 26.28006 O - 38.55472 22.36315 14.09479 O - 37.81541 22.95529 16.55103 O - 31.71407 38.07263 17.21865 Si - 33.63267 38.81280 15.11330 Si - 34.57087 38.41804 25.42320 Si - 37.67679 38.46147 25.65187 Si - 38.73151 38.76543 15.46419 Si - 36.09369 38.12000 16.82570 Si - 31.75224 23.14478 17.34087 Si - 33.84763 22.17564 15.29597 Si - 34.68940 23.13688 25.75569 Si - 37.79933 23.13491 26.04350 Si - 38.86009 22.11840 15.65606 Si - 36.26848 23.11715 16.96369 Si - 20.11411 21.11769 23.63194 O - 37.91987 21.20453 22.33089 O - 38.16096 22.43421 24.63994 O - 38.11475 19.80511 24.54137 O - 36.74461 20.49791 20.07835 O - 36.75867 38.59766 22.13770 O - 35.30014 21.04663 22.20209 O - 35.98119 22.29604 18.31995 O - 34.22131 20.63608 19.35160 O - 36.03342 19.75774 17.65759 O - 32.29467 22.23486 18.55256 O - 31.83461 20.46831 20.44501 O - 32.74871 21.27954 22.77509 O - 31.59755 38.66477 22.56219 O - 34.55681 22.32960 24.37052 O - 40.00120 36.61004 23.43350 O - 37.53013 36.14225 22.67915 O - 36.59795 36.73439 20.28993 O - 34.97669 36.67715 22.35454 O - 34.10478 36.14620 19.70906 O - 31.76028 36.85085 20.66580 O - 32.49959 36.25871 23.12203 O - 38.60093 21.14137 23.78965 Si - 36.68233 20.40120 21.68430 Si - 35.74413 20.79596 18.85220 Si - 32.63821 20.75253 19.08087 Si - 31.58349 20.44857 22.03519 Si - 34.22131 21.09400 23.39670 Si - 38.56276 36.06922 23.91187 Si - 36.46737 37.03836 21.86697 Si - 35.62560 36.07712 19.18469 Si - 32.51566 36.07909 19.47250 Si - 31.45491 37.09560 22.22706 Si - 34.04652 36.09685 23.53469 Si - 40.15589 30.98669 15.79406 O - 22.35013 31.07353 17.09511 O - 22.10905 32.30321 14.78606 O - 22.15525 29.67411 14.88463 O - 23.52539 30.36691 19.34765 O - 23.51133 28.72866 17.28830 O - 24.96986 30.91563 17.22391 O - 24.28881 32.16504 21.10605 O - 26.04869 30.50508 20.07441 O - 24.23658 29.62674 21.76841 O - 27.97533 32.10386 20.87344 O - 28.43539 30.33731 18.98099 O - 27.52129 31.14854 16.65091 O - 28.67245 28.79577 16.86381 O - 25.71319 32.19860 15.05548 O - 20.26880 26.74104 15.99250 O - 22.73987 26.27325 16.74685 O - 23.67205 26.86539 19.13607 O - 25.29331 26.80815 17.07146 O - 26.16522 26.27720 19.71694 O - 28.50972 26.98185 18.76020 O - 27.77041 26.38971 16.30397 O - 21.66907 31.01037 15.63635 Si - 23.58767 30.27020 17.74170 Si - 24.52587 30.66496 20.57380 Si - 27.63179 30.62153 20.34513 Si - 28.68651 30.31757 17.39081 Si - 26.04869 30.96300 16.02930 Si - 21.70725 26.20022 15.51413 Si - 23.80263 27.16936 17.55903 Si - 24.64440 26.20812 20.24131 Si - 27.75433 26.21009 19.95350 Si - 28.81509 27.22660 17.19894 Si - 26.22348 26.22785 15.89131 Si - 30.15911 28.22731 22.36506 O - 27.87487 28.14047 23.66611 O - 28.11595 26.91079 21.35706 O - 28.06975 29.53989 21.45563 O - 26.69961 28.84709 25.91865 O - 26.71367 30.48534 23.85930 O - 25.25514 28.29837 23.79491 O - 25.93619 27.04896 14.53505 O - 24.17631 28.70892 13.50341 O - 25.98842 29.58726 15.19741 O - 22.24967 27.11014 14.30244 O - 21.78961 28.87669 25.55199 O - 22.70371 28.06546 23.22191 O - 21.55255 30.41823 23.43481 O - 24.51181 27.01540 21.62648 O - 29.95620 32.47296 22.56350 O - 27.48513 32.94075 23.31785 O - 26.55295 32.34861 25.70707 O - 24.93169 32.40585 23.64246 O - 24.05978 32.93680 13.14594 O - 21.71528 32.23215 25.33121 O - 22.45459 32.82429 22.87497 O - 28.55593 28.20363 22.20735 Si - 26.63733 28.94380 24.31270 Si - 25.69913 28.54904 14.00280 Si - 22.59321 28.59247 13.77413 Si - 21.53849 28.89643 23.96181 Si - 24.17631 28.25100 22.60030 Si - 28.51776 33.01378 22.08513 Si - 26.42237 32.04464 24.13003 Si - 25.58060 33.00588 13.67031 Si - 22.47067 33.00391 13.38250 Si - 21.40991 31.98740 23.76994 Si - 24.00152 32.98615 22.46231 Si - 30.15911 21.11769 35.50706 O - 27.87488 21.20453 36.80811 O - 28.11596 22.43421 34.49906 O - 28.06975 19.80511 34.59763 O - 26.69961 20.49791 39.06065 O - 26.71367 38.59766 37.00130 O - 25.25514 21.04663 36.93691 O - 25.93619 22.29604 27.67705 O - 24.17631 20.63608 26.64541 O - 25.98842 19.75774 28.33941 O - 22.24967 22.23486 27.44444 O - 21.78961 20.46831 38.69399 O - 22.70371 21.27954 36.36391 O - 21.55255 38.66477 36.57681 O - 24.51181 22.32960 34.76848 O - 29.95620 36.61004 35.70550 O - 27.48513 36.14225 36.45985 O - 28.65437 34.54150 34.73562 O - 26.55295 36.73439 38.84907 O - 24.93169 36.67715 36.78446 O - 26.00249 34.54150 27.04492 O - 24.05978 36.14620 26.28794 O - 21.99453 34.54150 26.55341 O - 21.71528 36.85085 38.47321 O - 22.45459 36.25871 36.01697 O - 24.34104 34.54150 35.36906 O - 28.55593 21.14137 35.34935 Si - 26.63733 20.40120 37.45470 Si - 25.69913 20.79596 27.14480 Si - 22.59321 20.75253 26.91613 Si - 21.53849 20.44857 37.10381 Si - 24.17631 21.09400 35.74230 Si - 28.51776 36.06922 35.22713 Si - 26.42237 37.03836 37.27203 Si - 25.58060 36.07712 26.81231 Si - 22.47067 36.07909 26.52450 Si - 21.40991 37.09560 36.91194 Si - 24.00152 36.09685 35.60431 Si - 40.15589 38.09631 28.93606 O - 22.35013 38.00947 30.23711 O - 22.10905 36.77979 27.92806 O - 22.15525 39.40889 28.02663 O - 23.52539 38.71609 32.48965 O - 23.51133 20.61634 30.43030 O - 24.96986 38.16737 30.36591 O - 24.28881 36.91796 34.24805 O - 26.04869 38.57792 33.21641 O - 24.23658 39.45626 34.91041 O - 27.97533 36.97914 34.01544 O - 28.43539 38.74569 32.12299 O - 27.52129 37.93446 29.79291 O - 28.67245 20.54923 30.00581 O - 25.71319 36.88440 28.19748 O - 20.26880 22.60396 29.13450 O - 22.73987 23.07175 29.88885 O - 21.57063 24.67250 28.16462 O - 23.67205 22.47961 32.27807 O - 25.29331 22.53685 30.21346 O - 24.22251 24.67250 33.61592 O - 26.16522 23.06780 32.85894 O - 28.23047 24.67250 33.12441 O - 28.50972 22.36315 31.90221 O - 27.77041 22.95529 29.44597 O - 25.88396 24.67250 28.79806 O - 21.66907 38.07263 28.77835 Si - 23.58767 38.81280 30.88370 Si - 24.52587 38.41804 33.71580 Si - 27.63179 38.46147 33.48713 Si - 28.68651 38.76543 30.53281 Si - 26.04869 38.12000 29.17130 Si - 21.70725 23.14478 28.65613 Si - 23.80263 22.17564 30.70103 Si - 24.64440 23.13688 33.38331 Si - 27.75434 23.13491 33.09550 Si - 28.81509 22.11840 30.34094 Si - 26.22348 23.11715 29.03331 Si - 20.11411 28.22731 36.77394 O - 37.91987 28.14047 35.47289 O - 38.16096 26.91079 37.78194 O - 38.11475 29.53989 37.68337 O - 36.74461 28.84709 33.22035 O - 36.75867 30.48534 35.27970 O - 35.30014 28.29837 35.34409 O - 35.98119 27.04896 31.46195 O - 34.22131 28.70892 32.49360 O - 36.03342 29.58726 30.79959 O - 32.29467 27.11014 31.69456 O - 31.83461 28.87669 33.58701 O - 32.74871 28.06546 35.91709 O - 31.59755 30.41823 35.70419 O - 34.55681 27.01540 37.51252 O - 40.00120 32.47296 36.57550 O - 37.53013 32.94075 35.82115 O - 38.69937 34.54150 37.54538 O - 36.59795 32.34861 33.43193 O - 34.97669 32.40585 35.49654 O - 36.04749 34.54150 32.09408 O - 34.10478 32.93680 32.85106 O - 32.03953 34.54150 32.58559 O - 31.76028 32.23215 33.80779 O - 32.49959 32.82429 36.26403 O - 34.38604 34.54150 36.91194 O - 38.60093 28.20363 36.93165 Si - 36.68233 28.94380 34.82630 Si - 35.74413 28.54904 31.99420 Si - 32.63821 28.59247 32.22287 Si - 31.58349 28.89643 35.17719 Si - 34.22131 28.25100 36.53870 Si - 38.56276 33.01378 37.05387 Si - 36.46737 32.04464 35.00897 Si - 35.62560 33.00588 32.32669 Si - 32.51566 33.00391 32.61450 Si - 31.45491 31.98740 35.36906 Si - 34.04652 32.98615 36.67669 Si - 30.11089 30.98669 30.20294 O - 32.39513 31.07353 28.90189 O - 32.15405 32.30321 31.21094 O - 32.20025 29.67411 31.11237 O - 33.57039 30.36691 26.64935 O - 33.55633 28.72866 28.70870 O - 35.01486 30.91563 28.77309 O - 34.33381 32.16504 38.03295 O - 36.09369 30.50508 39.06460 O - 34.28158 29.62674 37.37059 O - 38.02032 32.10386 38.26556 O - 38.48039 30.33731 27.01601 O - 37.56629 31.14854 29.34609 O - 38.71745 28.79577 29.13319 O - 35.75819 32.19860 30.94152 O - 30.31380 26.74104 30.00450 O - 32.78487 26.27325 29.25015 O - 31.61563 24.67250 30.97438 O - 33.71705 26.86539 26.86093 O - 35.33831 26.80815 28.92554 O - 34.26751 24.67250 38.66508 O - 36.21022 26.27720 39.42206 O - 38.27547 24.67250 39.15659 O - 38.55472 26.98185 27.23680 O - 37.81541 26.38971 29.69303 O - 35.92896 24.67250 30.34094 O - 31.71407 31.01037 30.36065 Si - 33.63267 30.27020 28.25530 Si - 34.57087 30.66496 38.56520 Si - 37.67679 30.62153 38.79387 Si - 38.73151 30.31757 28.60619 Si - 36.09369 30.96300 29.96770 Si - 31.75225 26.20022 30.48287 Si - 33.84763 27.16936 28.43797 Si - 34.68940 26.20812 38.89769 Si - 37.79933 26.21009 39.18550 Si - 38.86009 27.22660 28.79806 Si - 36.26848 26.22785 30.10569 Si - 30.11089 38.09631 30.20294 O - 32.39513 38.00947 28.90189 O - 32.15405 36.77979 31.21094 O - 32.20025 39.40889 31.11237 O - 33.57039 38.71609 26.64935 O - 33.55633 20.61634 28.70870 O - 35.01486 38.16737 28.77309 O - 34.33381 36.91796 38.03295 O - 36.09369 38.57792 39.06460 O - 34.28158 39.45626 37.37059 O - 38.02032 36.97914 38.26556 O - 38.48039 38.74569 27.01601 O - 37.56629 37.93446 29.34609 O - 38.71745 20.54923 29.13319 O - 35.75819 36.88440 30.94152 O - 30.31380 22.60396 30.00450 O - 32.78487 23.07175 29.25015 O - 33.71705 22.47961 26.86093 O - 35.33831 22.53685 28.92554 O - 36.21022 23.06780 39.42206 O - 38.55472 22.36315 27.23680 O - 37.81541 22.95529 29.69303 O - 31.71407 38.07263 30.36065 Si - 33.63267 38.81280 28.25530 Si - 34.57087 38.41804 38.56520 Si - 37.67679 38.46147 38.79387 Si - 38.73151 38.76543 28.60619 Si - 36.09369 38.12000 29.96770 Si - 31.75225 23.14478 30.48287 Si - 33.84763 22.17564 28.43797 Si - 34.68940 23.13688 38.89769 Si - 37.79933 23.13491 39.18550 Si - 38.86009 22.11840 28.79806 Si - 36.26848 23.11715 30.10569 Si - 20.11411 21.11769 36.77394 O - 37.91987 21.20453 35.47289 O - 38.16096 22.43421 37.78194 O - 38.11475 19.80511 37.68337 O - 36.74461 20.49791 33.22035 O - 36.75867 38.59766 35.27970 O - 35.30014 21.04663 35.34409 O - 35.98119 22.29604 31.46195 O - 34.22131 20.63608 32.49360 O - 36.03342 19.75774 30.79959 O - 32.29467 22.23486 31.69456 O - 31.83461 20.46831 33.58701 O - 32.74871 21.27954 35.91709 O - 31.59755 38.66477 35.70419 O - 34.55681 22.32960 37.51252 O - 40.00120 36.61004 36.57550 O - 37.53013 36.14225 35.82115 O - 36.59795 36.73439 33.43193 O - 34.97669 36.67715 35.49654 O - 34.10478 36.14620 32.85106 O - 31.76028 36.85085 33.80779 O - 32.49959 36.25871 36.26403 O - 38.60093 21.14137 36.93165 Si - 36.68233 20.40120 34.82630 Si - 35.74413 20.79596 31.99420 Si - 32.63821 20.75253 32.22287 Si - 31.58349 20.44857 35.17719 Si - 34.22131 21.09400 36.53870 Si - 38.56276 36.06922 37.05387 Si - 36.46737 37.03836 35.00897 Si - 35.62560 36.07712 32.32669 Si - 32.51566 36.07909 32.61450 Si - 31.45491 37.09560 35.36906 Si - 34.04652 36.09685 36.67669 Si - 40.15589 30.98669 28.93606 O - 22.35013 31.07353 30.23711 O - 22.10905 32.30321 27.92806 O - 22.15525 29.67411 28.02663 O - 23.52539 30.36691 32.48965 O - 23.51133 28.72866 30.43030 O - 24.96986 30.91563 30.36591 O - 24.28881 32.16504 34.24805 O - 26.04869 30.50508 33.21641 O - 24.23658 29.62674 34.91041 O - 27.97533 32.10386 34.01544 O - 28.43539 30.33731 32.12299 O - 27.52129 31.14854 29.79291 O - 28.67245 28.79577 30.00581 O - 25.71319 32.19860 28.19748 O - 20.26880 26.74104 29.13450 O - 22.73987 26.27325 29.88885 O - 23.67205 26.86539 32.27807 O - 25.29331 26.80815 30.21346 O - 26.16522 26.27720 32.85894 O - 28.50972 26.98185 31.90221 O - 27.77041 26.38971 29.44597 O - 21.66907 31.01037 28.77835 Si - 23.58767 30.27020 30.88370 Si - 24.52587 30.66496 33.71580 Si - 27.63179 30.62153 33.48713 Si - 28.68651 30.31757 30.53281 Si - 26.04869 30.96300 29.17130 Si - 21.70725 26.20022 28.65613 Si - 23.80263 27.16936 30.70103 Si - 24.64440 26.20812 33.38331 Si - 27.75434 26.21009 33.09550 Si - 28.81509 27.22660 30.34094 Si - 26.22348 26.22785 29.03331 Si - 30.15911 28.22731 35.50706 O - 27.87488 28.14047 36.80811 O - 28.11596 26.91079 34.49906 O - 28.06975 29.53989 34.59763 O - 26.69961 28.84709 39.06065 O - 26.71367 30.48534 37.00130 O - 25.25514 28.29837 36.93691 O - 25.93619 27.04896 27.67705 O - 24.17631 28.70892 26.64541 O - 25.98842 29.58726 28.33941 O - 22.24967 27.11014 27.44444 O - 21.78961 28.87669 38.69399 O - 22.70371 28.06546 36.36391 O - 21.55255 30.41823 36.57681 O - 24.51181 27.01540 34.76848 O - 29.95620 32.47296 35.70550 O - 27.48513 32.94075 36.45985 O - 26.55295 32.34861 38.84907 O - 24.93169 32.40585 36.78446 O - 24.05978 32.93680 26.28794 O - 21.71528 32.23215 38.47321 O - 22.45459 32.82429 36.01697 O - 28.55593 28.20363 35.34935 Si - 26.63733 28.94380 37.45470 Si - 25.69913 28.54904 27.14480 Si - 22.59321 28.59247 26.91613 Si - 21.53849 28.89643 37.10381 Si - 24.17631 28.25100 35.74230 Si - 28.51776 33.01378 35.22713 Si - 26.42237 32.04464 37.27203 Si - 25.58060 33.00588 26.81231 Si - 22.47067 33.00391 26.52450 Si - 21.40991 31.98740 36.91194 Si - 24.00152 32.98615 35.60431 Si diff --git a/examples/pcsaft/structure_parameters/PASCUAL.dat b/examples/pcsaft/structure_parameters/PASCUAL.dat deleted file mode 100755 index acb5830af..000000000 --- a/examples/pcsaft/structure_parameters/PASCUAL.dat +++ /dev/null @@ -1,3 +0,0 @@ -O 3.0 93.53 15.999 -Si 0.0 0.0 28.0855 - diff --git a/examples/pcsaft/structure_parameters/TpPA.dat b/examples/pcsaft/structure_parameters/TpPA.dat deleted file mode 100755 index c50d82939..000000000 --- a/examples/pcsaft/structure_parameters/TpPA.dat +++ /dev/null @@ -1,2592 +0,0 @@ - 0.45123 10.29620 1.70000 O - 3.05025 10.78513 1.70000 N - 0.25308 11.55360 1.70000 C - 1.37174 12.51413 1.70000 C - 2.68529 12.06895 1.70000 C - 4.31474 10.29522 1.70000 C - 4.54300 8.90558 1.70000 C - 5.44536 11.14714 1.70000 C - 3.68373 8.21271 1.70000 H - 3.51231 12.81378 1.70000 H - 5.31205 12.24495 1.70000 H - 2.22966 10.10770 1.70000 H - 13.86483 5.53890 1.70000 O - 14.74091 8.03417 1.70000 N - 12.67681 5.99599 1.70000 C - 12.40433 7.44502 1.70000 C - 13.44665 8.35999 1.70000 C - 15.79743 8.88428 1.70000 C - 17.11504 8.38714 1.70000 C - 15.62499 10.28936 1.70000 C - 17.28545 7.29656 1.70000 H - 13.21511 9.44862 1.70000 H - 14.60760 10.72282 1.70000 H - 14.91730 6.98480 1.70000 H - 2.13560 14.77675 1.70000 O - 0.41266 16.78308 1.70000 N - 1.14573 13.97644 1.70000 C - 0.20470 18.12311 1.70000 C - 1.29404 19.01562 1.70000 C - 2.32372 18.61790 1.70000 H - 1.40964 16.41115 1.70000 H - 10.82677 9.23785 1.70000 O - 8.22775 8.74891 1.70000 N - 11.02492 7.98045 1.70000 C - 9.90626 7.01996 1.70000 C - 8.59271 7.46514 1.70000 C - 6.96326 9.23883 1.70000 C - 6.73500 10.62847 1.70000 C - 5.83264 8.38695 1.70000 C - 7.59427 11.32134 1.70000 H - 7.76569 6.72031 1.70000 H - 5.96595 7.28914 1.70000 H - 9.04834 9.42635 1.70000 H - 9.14240 4.75734 1.70000 O - 10.86534 2.75097 1.70000 N - 10.13227 5.55765 1.70000 C - 11.52341 5.06910 1.70000 C - 11.79465 3.70891 1.70000 C - 11.07330 1.41094 1.70000 C - 9.98396 0.51843 1.70000 C - 12.37636 0.85774 1.70000 C - 8.95428 0.91614 1.70000 H - 12.85320 3.36512 1.70000 H - 13.26045 1.52209 1.70000 H - 9.86836 3.12290 1.70000 H - 22.31059 14.46498 1.70000 C - 22.03935 15.82513 1.70000 C - 21.45764 18.67631 1.70000 C - 20.98080 16.16893 1.70000 H - 20.57355 18.01196 1.70000 H - 19.96917 13.99519 1.70000 O - 19.09309 11.49988 1.70000 N - 21.15719 13.53810 1.70000 C - 21.42967 12.08907 1.70000 C - 20.38735 11.17406 1.70000 C - 18.03657 10.64976 1.70000 C - 16.71896 11.14690 1.70000 C - 18.20901 9.24469 1.70000 C - 16.54855 12.23752 1.70000 H - 20.61889 10.08543 1.70000 H - 19.22640 8.81123 1.70000 H - 18.91670 12.54929 1.70000 H - 2.58683 25.07294 1.70000 O - 3.46291 27.56825 1.70000 N - 1.39881 25.53004 1.70000 C - 1.12633 26.97911 1.70000 C - 2.16865 27.89408 1.70000 C - 4.51943 28.41837 1.70000 C - 5.83704 27.92123 1.70000 C - 4.34699 29.82345 1.70000 C - 6.00745 26.83061 1.70000 H - 1.93711 28.98271 1.70000 H - 3.32960 30.25691 1.70000 H - 3.63930 26.51889 1.70000 H - 0.24541 24.60315 1.70000 C - 0.51665 23.24300 1.70000 C - 1.09836 20.39182 1.70000 C - 1.57520 22.89920 1.70000 H - 1.98245 21.05617 1.70000 H - 11.72923 29.83029 1.70000 O - 14.32825 30.31922 1.70000 N - 11.53108 31.08769 1.70000 C - 12.64974 32.04817 1.70000 C - 13.96329 31.60299 1.70000 C - 15.59274 29.82931 1.70000 C - 15.82100 28.43966 1.70000 C - 16.72336 30.68119 1.70000 C - 14.96173 27.74679 1.70000 H - 14.79031 32.34782 1.70000 H - 16.59005 31.77900 1.70000 H - 13.50766 29.64178 1.70000 H - 13.41360 34.31079 1.70000 O - 11.69066 36.31717 1.70000 N - 12.42373 33.51049 1.70000 C - 11.03259 33.99903 1.70000 C - 10.76135 35.35922 1.70000 C - 11.48270 37.65720 1.70000 C - 12.57204 38.54970 1.70000 C - 10.17964 38.21040 1.70000 C - 13.60172 38.15199 1.70000 H - 9.70280 35.70302 1.70000 H - 9.29555 37.54605 1.70000 H - 12.68764 35.94524 1.70000 H - 22.10477 28.77194 1.70000 O - 19.50575 28.28300 1.70000 N - 22.30292 27.51453 1.70000 C - 21.18426 26.55401 1.70000 C - 19.87071 26.99923 1.70000 C - 18.24126 28.77291 1.70000 C - 18.01300 30.16256 1.70000 C - 17.11064 27.92104 1.70000 C - 18.87227 30.85543 1.70000 H - 19.04369 26.25440 1.70000 H - 17.24395 26.82323 1.70000 H - 20.32634 28.96044 1.70000 H - 8.69117 33.52924 1.70000 O - 7.81509 31.03397 1.70000 N - 9.87919 33.07214 1.70000 C - 10.15167 31.62311 1.70000 C - 9.10935 30.70814 1.70000 C - 6.75857 30.18385 1.70000 C - 5.44096 30.68099 1.70000 C - 6.93101 28.77877 1.70000 C - 5.27055 31.77157 1.70000 H - 9.34089 29.61951 1.70000 H - 7.94840 28.34531 1.70000 H - 7.63870 32.08333 1.70000 H - 20.42040 24.29139 1.70000 O - 22.14334 22.28506 1.70000 N - 21.41027 25.09170 1.70000 C - 22.35130 20.94503 1.70000 C - 21.26196 20.05248 1.70000 C - 20.23228 20.45023 1.70000 H - 21.14636 22.65698 1.70000 H - 0.45123 10.29620 5.10000 O - 3.05025 10.78513 5.10000 N - 0.25308 11.55360 5.10000 C - 1.37174 12.51413 5.10000 C - 2.68529 12.06895 5.10000 C - 4.31474 10.29522 5.10000 C - 4.54300 8.90558 5.10000 C - 5.44536 11.14714 5.10000 C - 3.68373 8.21271 5.10000 H - 3.51231 12.81378 5.10000 H - 5.31205 12.24495 5.10000 H - 2.22966 10.10770 5.10000 H - 13.86483 5.53890 5.10000 O - 14.74091 8.03417 5.10000 N - 12.67681 5.99599 5.10000 C - 12.40433 7.44502 5.10000 C - 13.44665 8.35999 5.10000 C - 15.79743 8.88428 5.10000 C - 17.11504 8.38714 5.10000 C - 15.62499 10.28936 5.10000 C - 17.28545 7.29656 5.10000 H - 13.21511 9.44862 5.10000 H - 14.60760 10.72282 5.10000 H - 14.91730 6.98480 5.10000 H - 2.13560 14.77675 5.10000 O - 0.41266 16.78308 5.10000 N - 1.14573 13.97644 5.10000 C - 0.20470 18.12311 5.10000 C - 1.29404 19.01562 5.10000 C - 2.32372 18.61790 5.10000 H - 1.40964 16.41115 5.10000 H - 10.82677 9.23785 5.10000 O - 8.22775 8.74891 5.10000 N - 11.02492 7.98045 5.10000 C - 9.90626 7.01996 5.10000 C - 8.59271 7.46514 5.10000 C - 6.96326 9.23883 5.10000 C - 6.73500 10.62847 5.10000 C - 5.83264 8.38695 5.10000 C - 7.59427 11.32134 5.10000 H - 7.76569 6.72031 5.10000 H - 5.96595 7.28914 5.10000 H - 9.04834 9.42635 5.10000 H - 9.14240 4.75734 5.10000 O - 10.86534 2.75097 5.10000 N - 10.13227 5.55765 5.10000 C - 11.52341 5.06910 5.10000 C - 11.79465 3.70891 5.10000 C - 11.07330 1.41094 5.10000 C - 9.98396 0.51843 5.10000 C - 12.37636 0.85774 5.10000 C - 8.95428 0.91614 5.10000 H - 12.85320 3.36512 5.10000 H - 13.26045 1.52209 5.10000 H - 9.86836 3.12290 5.10000 H - 22.31059 14.46498 5.10000 C - 22.03935 15.82513 5.10000 C - 21.45764 18.67631 5.10000 C - 20.98080 16.16893 5.10000 H - 20.57355 18.01196 5.10000 H - 19.96917 13.99519 5.10000 O - 19.09309 11.49988 5.10000 N - 21.15719 13.53810 5.10000 C - 21.42967 12.08907 5.10000 C - 20.38735 11.17406 5.10000 C - 18.03657 10.64976 5.10000 C - 16.71896 11.14690 5.10000 C - 18.20901 9.24469 5.10000 C - 16.54855 12.23752 5.10000 H - 20.61889 10.08543 5.10000 H - 19.22640 8.81123 5.10000 H - 18.91670 12.54929 5.10000 H - 2.58683 25.07294 5.10000 O - 3.46291 27.56825 5.10000 N - 1.39881 25.53004 5.10000 C - 1.12633 26.97911 5.10000 C - 2.16865 27.89408 5.10000 C - 4.51943 28.41837 5.10000 C - 5.83704 27.92123 5.10000 C - 4.34699 29.82345 5.10000 C - 6.00745 26.83061 5.10000 H - 1.93711 28.98271 5.10000 H - 3.32960 30.25691 5.10000 H - 3.63930 26.51889 5.10000 H - 0.24541 24.60315 5.10000 C - 0.51665 23.24300 5.10000 C - 1.09836 20.39182 5.10000 C - 1.57520 22.89920 5.10000 H - 1.98245 21.05617 5.10000 H - 11.72923 29.83029 5.10000 O - 14.32825 30.31922 5.10000 N - 11.53108 31.08769 5.10000 C - 12.64974 32.04817 5.10000 C - 13.96329 31.60299 5.10000 C - 15.59274 29.82931 5.10000 C - 15.82100 28.43966 5.10000 C - 16.72336 30.68119 5.10000 C - 14.96173 27.74679 5.10000 H - 14.79031 32.34782 5.10000 H - 16.59005 31.77900 5.10000 H - 13.50766 29.64178 5.10000 H - 13.41360 34.31079 5.10000 O - 11.69066 36.31717 5.10000 N - 12.42373 33.51049 5.10000 C - 11.03259 33.99903 5.10000 C - 10.76135 35.35922 5.10000 C - 11.48270 37.65720 5.10000 C - 12.57204 38.54970 5.10000 C - 10.17964 38.21040 5.10000 C - 13.60172 38.15199 5.10000 H - 9.70280 35.70302 5.10000 H - 9.29555 37.54605 5.10000 H - 12.68764 35.94524 5.10000 H - 22.10477 28.77194 5.10000 O - 19.50575 28.28300 5.10000 N - 22.30292 27.51453 5.10000 C - 21.18426 26.55401 5.10000 C - 19.87071 26.99923 5.10000 C - 18.24126 28.77291 5.10000 C - 18.01300 30.16256 5.10000 C - 17.11064 27.92104 5.10000 C - 18.87227 30.85543 5.10000 H - 19.04369 26.25440 5.10000 H - 17.24395 26.82323 5.10000 H - 20.32634 28.96044 5.10000 H - 8.69117 33.52924 5.10000 O - 7.81509 31.03397 5.10000 N - 9.87919 33.07214 5.10000 C - 10.15167 31.62311 5.10000 C - 9.10935 30.70814 5.10000 C - 6.75857 30.18385 5.10000 C - 5.44096 30.68099 5.10000 C - 6.93101 28.77877 5.10000 C - 5.27055 31.77157 5.10000 H - 9.34089 29.61951 5.10000 H - 7.94840 28.34531 5.10000 H - 7.63870 32.08333 5.10000 H - 20.42040 24.29139 5.10000 O - 22.14334 22.28506 5.10000 N - 21.41027 25.09170 5.10000 C - 22.35130 20.94503 5.10000 C - 21.26196 20.05248 5.10000 C - 20.23228 20.45023 5.10000 H - 21.14636 22.65698 5.10000 H - 0.45123 10.29620 8.50000 O - 3.05025 10.78513 8.50000 N - 0.25308 11.55360 8.50000 C - 1.37174 12.51413 8.50000 C - 2.68529 12.06895 8.50000 C - 4.31474 10.29522 8.50000 C - 4.54300 8.90558 8.50000 C - 5.44536 11.14714 8.50000 C - 3.68373 8.21271 8.50000 H - 3.51231 12.81378 8.50000 H - 5.31205 12.24495 8.50000 H - 2.22966 10.10770 8.50000 H - 13.86483 5.53890 8.50000 O - 14.74091 8.03417 8.50000 N - 12.67681 5.99599 8.50000 C - 12.40433 7.44502 8.50000 C - 13.44665 8.35999 8.50000 C - 15.79743 8.88428 8.50000 C - 17.11504 8.38714 8.50000 C - 15.62499 10.28936 8.50000 C - 17.28545 7.29656 8.50000 H - 13.21511 9.44862 8.50000 H - 14.60760 10.72282 8.50000 H - 14.91730 6.98480 8.50000 H - 2.13560 14.77675 8.50000 O - 0.41266 16.78308 8.50000 N - 1.14573 13.97644 8.50000 C - 0.20470 18.12311 8.50000 C - 1.29404 19.01562 8.50000 C - 2.32372 18.61790 8.50000 H - 1.40964 16.41115 8.50000 H - 10.82677 9.23785 8.50000 O - 8.22775 8.74891 8.50000 N - 11.02492 7.98045 8.50000 C - 9.90626 7.01996 8.50000 C - 8.59271 7.46514 8.50000 C - 6.96326 9.23883 8.50000 C - 6.73500 10.62847 8.50000 C - 5.83264 8.38695 8.50000 C - 7.59427 11.32134 8.50000 H - 7.76569 6.72031 8.50000 H - 5.96595 7.28914 8.50000 H - 9.04834 9.42635 8.50000 H - 9.14240 4.75734 8.50000 O - 10.86534 2.75097 8.50000 N - 10.13227 5.55765 8.50000 C - 11.52341 5.06910 8.50000 C - 11.79465 3.70891 8.50000 C - 11.07330 1.41094 8.50000 C - 9.98396 0.51843 8.50000 C - 12.37636 0.85774 8.50000 C - 8.95428 0.91614 8.50000 H - 12.85320 3.36512 8.50000 H - 13.26045 1.52209 8.50000 H - 9.86836 3.12290 8.50000 H - 22.31059 14.46498 8.50000 C - 22.03935 15.82513 8.50000 C - 21.45764 18.67631 8.50000 C - 20.98080 16.16893 8.50000 H - 20.57355 18.01196 8.50000 H - 19.96917 13.99519 8.50000 O - 19.09309 11.49988 8.50000 N - 21.15719 13.53810 8.50000 C - 21.42967 12.08907 8.50000 C - 20.38735 11.17406 8.50000 C - 18.03657 10.64976 8.50000 C - 16.71896 11.14690 8.50000 C - 18.20901 9.24469 8.50000 C - 16.54855 12.23752 8.50000 H - 20.61889 10.08543 8.50000 H - 19.22640 8.81123 8.50000 H - 18.91670 12.54929 8.50000 H - 2.58683 25.07294 8.50000 O - 3.46291 27.56825 8.50000 N - 1.39881 25.53004 8.50000 C - 1.12633 26.97911 8.50000 C - 2.16865 27.89408 8.50000 C - 4.51943 28.41837 8.50000 C - 5.83704 27.92123 8.50000 C - 4.34699 29.82345 8.50000 C - 6.00745 26.83061 8.50000 H - 1.93711 28.98271 8.50000 H - 3.32960 30.25691 8.50000 H - 3.63930 26.51889 8.50000 H - 0.24541 24.60315 8.50000 C - 0.51665 23.24300 8.50000 C - 1.09836 20.39182 8.50000 C - 1.57520 22.89920 8.50000 H - 1.98245 21.05617 8.50000 H - 11.72923 29.83029 8.50000 O - 14.32825 30.31922 8.50000 N - 11.53108 31.08769 8.50000 C - 12.64974 32.04817 8.50000 C - 13.96329 31.60299 8.50000 C - 15.59274 29.82931 8.50000 C - 15.82100 28.43966 8.50000 C - 16.72336 30.68119 8.50000 C - 14.96173 27.74679 8.50000 H - 14.79031 32.34782 8.50000 H - 16.59005 31.77900 8.50000 H - 13.50766 29.64178 8.50000 H - 13.41360 34.31079 8.50000 O - 11.69066 36.31717 8.50000 N - 12.42373 33.51049 8.50000 C - 11.03259 33.99903 8.50000 C - 10.76135 35.35922 8.50000 C - 11.48270 37.65720 8.50000 C - 12.57204 38.54970 8.50000 C - 10.17964 38.21040 8.50000 C - 13.60172 38.15199 8.50000 H - 9.70280 35.70302 8.50000 H - 9.29555 37.54605 8.50000 H - 12.68764 35.94524 8.50000 H - 22.10477 28.77194 8.50000 O - 19.50575 28.28300 8.50000 N - 22.30292 27.51453 8.50000 C - 21.18426 26.55401 8.50000 C - 19.87071 26.99923 8.50000 C - 18.24126 28.77291 8.50000 C - 18.01300 30.16256 8.50000 C - 17.11064 27.92104 8.50000 C - 18.87227 30.85543 8.50000 H - 19.04369 26.25440 8.50000 H - 17.24395 26.82323 8.50000 H - 20.32634 28.96044 8.50000 H - 8.69117 33.52924 8.50000 O - 7.81509 31.03397 8.50000 N - 9.87919 33.07214 8.50000 C - 10.15167 31.62311 8.50000 C - 9.10935 30.70814 8.50000 C - 6.75857 30.18385 8.50000 C - 5.44096 30.68099 8.50000 C - 6.93101 28.77877 8.50000 C - 5.27055 31.77157 8.50000 H - 9.34089 29.61951 8.50000 H - 7.94840 28.34531 8.50000 H - 7.63870 32.08333 8.50000 H - 20.42040 24.29139 8.50000 O - 22.14334 22.28506 8.50000 N - 21.41027 25.09170 8.50000 C - 22.35130 20.94503 8.50000 C - 21.26196 20.05248 8.50000 C - 20.23228 20.45023 8.50000 H - 21.14636 22.65698 8.50000 H - 0.45123 10.29620 11.90000 O - 3.05025 10.78513 11.90000 N - 0.25308 11.55360 11.90000 C - 1.37174 12.51413 11.90000 C - 2.68529 12.06895 11.90000 C - 4.31474 10.29522 11.90000 C - 4.54300 8.90558 11.90000 C - 5.44536 11.14714 11.90000 C - 3.68373 8.21271 11.90000 H - 3.51231 12.81378 11.90000 H - 5.31205 12.24495 11.90000 H - 2.22966 10.10770 11.90000 H - 13.86483 5.53890 11.90000 O - 14.74091 8.03417 11.90000 N - 12.67681 5.99599 11.90000 C - 12.40433 7.44502 11.90000 C - 13.44665 8.35999 11.90000 C - 15.79743 8.88428 11.90000 C - 17.11504 8.38714 11.90000 C - 15.62499 10.28936 11.90000 C - 17.28545 7.29656 11.90000 H - 13.21511 9.44862 11.90000 H - 14.60760 10.72282 11.90000 H - 14.91730 6.98480 11.90000 H - 2.13560 14.77675 11.90000 O - 0.41266 16.78308 11.90000 N - 1.14573 13.97644 11.90000 C - 0.20470 18.12311 11.90000 C - 1.29404 19.01562 11.90000 C - 2.32372 18.61790 11.90000 H - 1.40964 16.41115 11.90000 H - 10.82677 9.23785 11.90000 O - 8.22775 8.74891 11.90000 N - 11.02492 7.98045 11.90000 C - 9.90626 7.01996 11.90000 C - 8.59271 7.46514 11.90000 C - 6.96326 9.23883 11.90000 C - 6.73500 10.62847 11.90000 C - 5.83264 8.38695 11.90000 C - 7.59427 11.32134 11.90000 H - 7.76569 6.72031 11.90000 H - 5.96595 7.28914 11.90000 H - 9.04834 9.42635 11.90000 H - 9.14240 4.75734 11.90000 O - 10.86534 2.75097 11.90000 N - 10.13227 5.55765 11.90000 C - 11.52341 5.06910 11.90000 C - 11.79465 3.70891 11.90000 C - 11.07330 1.41094 11.90000 C - 9.98396 0.51843 11.90000 C - 12.37636 0.85774 11.90000 C - 8.95428 0.91614 11.90000 H - 12.85320 3.36512 11.90000 H - 13.26045 1.52209 11.90000 H - 9.86836 3.12290 11.90000 H - 22.31059 14.46498 11.90000 C - 22.03935 15.82513 11.90000 C - 21.45764 18.67631 11.90000 C - 20.98080 16.16893 11.90000 H - 20.57355 18.01196 11.90000 H - 19.96917 13.99519 11.90000 O - 19.09309 11.49988 11.90000 N - 21.15719 13.53810 11.90000 C - 21.42967 12.08907 11.90000 C - 20.38735 11.17406 11.90000 C - 18.03657 10.64976 11.90000 C - 16.71896 11.14690 11.90000 C - 18.20901 9.24469 11.90000 C - 16.54855 12.23752 11.90000 H - 20.61889 10.08543 11.90000 H - 19.22640 8.81123 11.90000 H - 18.91670 12.54929 11.90000 H - 2.58683 25.07294 11.90000 O - 3.46291 27.56825 11.90000 N - 1.39881 25.53004 11.90000 C - 1.12633 26.97911 11.90000 C - 2.16865 27.89408 11.90000 C - 4.51943 28.41837 11.90000 C - 5.83704 27.92123 11.90000 C - 4.34699 29.82345 11.90000 C - 6.00745 26.83061 11.90000 H - 1.93711 28.98271 11.90000 H - 3.32960 30.25691 11.90000 H - 3.63930 26.51889 11.90000 H - 0.24541 24.60315 11.90000 C - 0.51665 23.24300 11.90000 C - 1.09836 20.39182 11.90000 C - 1.57520 22.89920 11.90000 H - 1.98245 21.05617 11.90000 H - 11.72923 29.83029 11.90000 O - 14.32825 30.31922 11.90000 N - 11.53108 31.08769 11.90000 C - 12.64974 32.04817 11.90000 C - 13.96329 31.60299 11.90000 C - 15.59274 29.82931 11.90000 C - 15.82100 28.43966 11.90000 C - 16.72336 30.68119 11.90000 C - 14.96173 27.74679 11.90000 H - 14.79031 32.34782 11.90000 H - 16.59005 31.77900 11.90000 H - 13.50766 29.64178 11.90000 H - 13.41360 34.31079 11.90000 O - 11.69066 36.31717 11.90000 N - 12.42373 33.51049 11.90000 C - 11.03259 33.99903 11.90000 C - 10.76135 35.35922 11.90000 C - 11.48270 37.65720 11.90000 C - 12.57204 38.54970 11.90000 C - 10.17964 38.21040 11.90000 C - 13.60172 38.15199 11.90000 H - 9.70280 35.70302 11.90000 H - 9.29555 37.54605 11.90000 H - 12.68764 35.94524 11.90000 H - 22.10477 28.77194 11.90000 O - 19.50575 28.28300 11.90000 N - 22.30292 27.51453 11.90000 C - 21.18426 26.55401 11.90000 C - 19.87071 26.99923 11.90000 C - 18.24126 28.77291 11.90000 C - 18.01300 30.16256 11.90000 C - 17.11064 27.92104 11.90000 C - 18.87227 30.85543 11.90000 H - 19.04369 26.25440 11.90000 H - 17.24395 26.82323 11.90000 H - 20.32634 28.96044 11.90000 H - 8.69117 33.52924 11.90000 O - 7.81509 31.03397 11.90000 N - 9.87919 33.07214 11.90000 C - 10.15167 31.62311 11.90000 C - 9.10935 30.70814 11.90000 C - 6.75857 30.18385 11.90000 C - 5.44096 30.68099 11.90000 C - 6.93101 28.77877 11.90000 C - 5.27055 31.77157 11.90000 H - 9.34089 29.61951 11.90000 H - 7.94840 28.34531 11.90000 H - 7.63870 32.08333 11.90000 H - 20.42040 24.29139 11.90000 O - 22.14334 22.28506 11.90000 N - 21.41027 25.09170 11.90000 C - 22.35130 20.94503 11.90000 C - 21.26196 20.05248 11.90000 C - 20.23228 20.45023 11.90000 H - 21.14636 22.65698 11.90000 H - 0.45123 10.29620 15.30000 O - 3.05025 10.78513 15.30000 N - 0.25308 11.55360 15.30000 C - 1.37174 12.51413 15.30000 C - 2.68529 12.06895 15.30000 C - 4.31474 10.29522 15.30000 C - 4.54300 8.90558 15.30000 C - 5.44536 11.14714 15.30000 C - 3.68373 8.21271 15.30000 H - 3.51231 12.81378 15.30000 H - 5.31205 12.24495 15.30000 H - 2.22966 10.10770 15.30000 H - 13.86483 5.53890 15.30000 O - 14.74091 8.03417 15.30000 N - 12.67681 5.99599 15.30000 C - 12.40433 7.44502 15.30000 C - 13.44665 8.35999 15.30000 C - 15.79743 8.88428 15.30000 C - 17.11504 8.38714 15.30000 C - 15.62499 10.28936 15.30000 C - 17.28545 7.29656 15.30000 H - 13.21511 9.44862 15.30000 H - 14.60760 10.72282 15.30000 H - 14.91730 6.98480 15.30000 H - 2.13560 14.77675 15.30000 O - 0.41266 16.78308 15.30000 N - 1.14573 13.97644 15.30000 C - 0.20470 18.12311 15.30000 C - 1.29404 19.01562 15.30000 C - 2.32372 18.61790 15.30000 H - 1.40964 16.41115 15.30000 H - 10.82677 9.23785 15.30000 O - 8.22775 8.74891 15.30000 N - 11.02492 7.98045 15.30000 C - 9.90626 7.01996 15.30000 C - 8.59271 7.46514 15.30000 C - 6.96326 9.23883 15.30000 C - 6.73500 10.62847 15.30000 C - 5.83264 8.38695 15.30000 C - 7.59427 11.32134 15.30000 H - 7.76569 6.72031 15.30000 H - 5.96595 7.28914 15.30000 H - 9.04834 9.42635 15.30000 H - 9.14240 4.75734 15.30000 O - 10.86534 2.75097 15.30000 N - 10.13227 5.55765 15.30000 C - 11.52341 5.06910 15.30000 C - 11.79465 3.70891 15.30000 C - 11.07330 1.41094 15.30000 C - 9.98396 0.51843 15.30000 C - 12.37636 0.85774 15.30000 C - 8.95428 0.91614 15.30000 H - 12.85320 3.36512 15.30000 H - 13.26045 1.52209 15.30000 H - 9.86836 3.12290 15.30000 H - 22.31059 14.46498 15.30000 C - 22.03935 15.82513 15.30000 C - 21.45764 18.67631 15.30000 C - 20.98080 16.16893 15.30000 H - 20.57355 18.01196 15.30000 H - 19.96917 13.99519 15.30000 O - 19.09309 11.49988 15.30000 N - 21.15719 13.53810 15.30000 C - 21.42967 12.08907 15.30000 C - 20.38735 11.17406 15.30000 C - 18.03657 10.64976 15.30000 C - 16.71896 11.14690 15.30000 C - 18.20901 9.24469 15.30000 C - 16.54855 12.23752 15.30000 H - 20.61889 10.08543 15.30000 H - 19.22640 8.81123 15.30000 H - 18.91670 12.54929 15.30000 H - 2.58683 25.07294 15.30000 O - 3.46291 27.56825 15.30000 N - 1.39881 25.53004 15.30000 C - 1.12633 26.97911 15.30000 C - 2.16865 27.89408 15.30000 C - 4.51943 28.41837 15.30000 C - 5.83704 27.92123 15.30000 C - 4.34699 29.82345 15.30000 C - 6.00745 26.83061 15.30000 H - 1.93711 28.98271 15.30000 H - 3.32960 30.25691 15.30000 H - 3.63930 26.51889 15.30000 H - 0.24541 24.60315 15.30000 C - 0.51665 23.24300 15.30000 C - 1.09836 20.39182 15.30000 C - 1.57520 22.89920 15.30000 H - 1.98245 21.05617 15.30000 H - 11.72923 29.83029 15.30000 O - 14.32825 30.31922 15.30000 N - 11.53108 31.08769 15.30000 C - 12.64974 32.04817 15.30000 C - 13.96329 31.60299 15.30000 C - 15.59274 29.82931 15.30000 C - 15.82100 28.43966 15.30000 C - 16.72336 30.68119 15.30000 C - 14.96173 27.74679 15.30000 H - 14.79031 32.34782 15.30000 H - 16.59005 31.77900 15.30000 H - 13.50766 29.64178 15.30000 H - 13.41360 34.31079 15.30000 O - 11.69066 36.31717 15.30000 N - 12.42373 33.51049 15.30000 C - 11.03259 33.99903 15.30000 C - 10.76135 35.35922 15.30000 C - 11.48270 37.65720 15.30000 C - 12.57204 38.54970 15.30000 C - 10.17964 38.21040 15.30000 C - 13.60172 38.15199 15.30000 H - 9.70280 35.70302 15.30000 H - 9.29555 37.54605 15.30000 H - 12.68764 35.94524 15.30000 H - 22.10477 28.77194 15.30000 O - 19.50575 28.28300 15.30000 N - 22.30292 27.51453 15.30000 C - 21.18426 26.55401 15.30000 C - 19.87071 26.99923 15.30000 C - 18.24126 28.77291 15.30000 C - 18.01300 30.16256 15.30000 C - 17.11064 27.92104 15.30000 C - 18.87227 30.85543 15.30000 H - 19.04369 26.25440 15.30000 H - 17.24395 26.82323 15.30000 H - 20.32634 28.96044 15.30000 H - 8.69117 33.52924 15.30000 O - 7.81509 31.03397 15.30000 N - 9.87919 33.07214 15.30000 C - 10.15167 31.62311 15.30000 C - 9.10935 30.70814 15.30000 C - 6.75857 30.18385 15.30000 C - 5.44096 30.68099 15.30000 C - 6.93101 28.77877 15.30000 C - 5.27055 31.77157 15.30000 H - 9.34089 29.61951 15.30000 H - 7.94840 28.34531 15.30000 H - 7.63870 32.08333 15.30000 H - 20.42040 24.29139 15.30000 O - 22.14334 22.28506 15.30000 N - 21.41027 25.09170 15.30000 C - 22.35130 20.94503 15.30000 C - 21.26196 20.05248 15.30000 C - 20.23228 20.45023 15.30000 H - 21.14636 22.65698 15.30000 H - 0.45123 10.29620 18.70000 O - 3.05025 10.78513 18.70000 N - 0.25308 11.55360 18.70000 C - 1.37174 12.51413 18.70000 C - 2.68529 12.06895 18.70000 C - 4.31474 10.29522 18.70000 C - 4.54300 8.90558 18.70000 C - 5.44536 11.14714 18.70000 C - 3.68373 8.21271 18.70000 H - 3.51231 12.81378 18.70000 H - 5.31205 12.24495 18.70000 H - 2.22966 10.10770 18.70000 H - 13.86483 5.53890 18.70000 O - 14.74091 8.03417 18.70000 N - 12.67681 5.99599 18.70000 C - 12.40433 7.44502 18.70000 C - 13.44665 8.35999 18.70000 C - 15.79743 8.88428 18.70000 C - 17.11504 8.38714 18.70000 C - 15.62499 10.28936 18.70000 C - 17.28545 7.29656 18.70000 H - 13.21511 9.44862 18.70000 H - 14.60760 10.72282 18.70000 H - 14.91730 6.98480 18.70000 H - 2.13560 14.77675 18.70000 O - 0.41266 16.78308 18.70000 N - 1.14573 13.97644 18.70000 C - 0.20470 18.12311 18.70000 C - 1.29404 19.01562 18.70000 C - 2.32372 18.61790 18.70000 H - 1.40964 16.41115 18.70000 H - 10.82677 9.23785 18.70000 O - 8.22775 8.74891 18.70000 N - 11.02492 7.98045 18.70000 C - 9.90626 7.01996 18.70000 C - 8.59271 7.46514 18.70000 C - 6.96326 9.23883 18.70000 C - 6.73500 10.62847 18.70000 C - 5.83264 8.38695 18.70000 C - 7.59427 11.32134 18.70000 H - 7.76569 6.72031 18.70000 H - 5.96595 7.28914 18.70000 H - 9.04834 9.42635 18.70000 H - 9.14240 4.75734 18.70000 O - 10.86534 2.75097 18.70000 N - 10.13227 5.55765 18.70000 C - 11.52341 5.06910 18.70000 C - 11.79465 3.70891 18.70000 C - 11.07330 1.41094 18.70000 C - 9.98396 0.51843 18.70000 C - 12.37636 0.85774 18.70000 C - 8.95428 0.91614 18.70000 H - 12.85320 3.36512 18.70000 H - 13.26045 1.52209 18.70000 H - 9.86836 3.12290 18.70000 H - 22.31059 14.46498 18.70000 C - 22.03935 15.82513 18.70000 C - 21.45764 18.67631 18.70000 C - 20.98080 16.16893 18.70000 H - 20.57355 18.01196 18.70000 H - 19.96917 13.99519 18.70000 O - 19.09309 11.49988 18.70000 N - 21.15719 13.53810 18.70000 C - 21.42967 12.08907 18.70000 C - 20.38735 11.17406 18.70000 C - 18.03657 10.64976 18.70000 C - 16.71896 11.14690 18.70000 C - 18.20901 9.24469 18.70000 C - 16.54855 12.23752 18.70000 H - 20.61889 10.08543 18.70000 H - 19.22640 8.81123 18.70000 H - 18.91670 12.54929 18.70000 H - 2.58683 25.07294 18.70000 O - 3.46291 27.56825 18.70000 N - 1.39881 25.53004 18.70000 C - 1.12633 26.97911 18.70000 C - 2.16865 27.89408 18.70000 C - 4.51943 28.41837 18.70000 C - 5.83704 27.92123 18.70000 C - 4.34699 29.82345 18.70000 C - 6.00745 26.83061 18.70000 H - 1.93711 28.98271 18.70000 H - 3.32960 30.25691 18.70000 H - 3.63930 26.51889 18.70000 H - 0.24541 24.60315 18.70000 C - 0.51665 23.24300 18.70000 C - 1.09836 20.39182 18.70000 C - 1.57520 22.89920 18.70000 H - 1.98245 21.05617 18.70000 H - 11.72923 29.83029 18.70000 O - 14.32825 30.31922 18.70000 N - 11.53108 31.08769 18.70000 C - 12.64974 32.04817 18.70000 C - 13.96329 31.60299 18.70000 C - 15.59274 29.82931 18.70000 C - 15.82100 28.43966 18.70000 C - 16.72336 30.68119 18.70000 C - 14.96173 27.74679 18.70000 H - 14.79031 32.34782 18.70000 H - 16.59005 31.77900 18.70000 H - 13.50766 29.64178 18.70000 H - 13.41360 34.31079 18.70000 O - 11.69066 36.31717 18.70000 N - 12.42373 33.51049 18.70000 C - 11.03259 33.99903 18.70000 C - 10.76135 35.35922 18.70000 C - 11.48270 37.65720 18.70000 C - 12.57204 38.54970 18.70000 C - 10.17964 38.21040 18.70000 C - 13.60172 38.15199 18.70000 H - 9.70280 35.70302 18.70000 H - 9.29555 37.54605 18.70000 H - 12.68764 35.94524 18.70000 H - 22.10477 28.77194 18.70000 O - 19.50575 28.28300 18.70000 N - 22.30292 27.51453 18.70000 C - 21.18426 26.55401 18.70000 C - 19.87071 26.99923 18.70000 C - 18.24126 28.77291 18.70000 C - 18.01300 30.16256 18.70000 C - 17.11064 27.92104 18.70000 C - 18.87227 30.85543 18.70000 H - 19.04369 26.25440 18.70000 H - 17.24395 26.82323 18.70000 H - 20.32634 28.96044 18.70000 H - 8.69117 33.52924 18.70000 O - 7.81509 31.03397 18.70000 N - 9.87919 33.07214 18.70000 C - 10.15167 31.62311 18.70000 C - 9.10935 30.70814 18.70000 C - 6.75857 30.18385 18.70000 C - 5.44096 30.68099 18.70000 C - 6.93101 28.77877 18.70000 C - 5.27055 31.77157 18.70000 H - 9.34089 29.61951 18.70000 H - 7.94840 28.34531 18.70000 H - 7.63870 32.08333 18.70000 H - 20.42040 24.29139 18.70000 O - 22.14334 22.28506 18.70000 N - 21.41027 25.09170 18.70000 C - 22.35130 20.94503 18.70000 C - 21.26196 20.05248 18.70000 C - 20.23228 20.45023 18.70000 H - 21.14636 22.65698 18.70000 H - 0.45123 10.29620 22.10000 O - 3.05025 10.78513 22.10000 N - 0.25308 11.55360 22.10000 C - 1.37174 12.51413 22.10000 C - 2.68529 12.06895 22.10000 C - 4.31474 10.29522 22.10000 C - 4.54300 8.90558 22.10000 C - 5.44536 11.14714 22.10000 C - 3.68373 8.21271 22.10000 H - 3.51231 12.81378 22.10000 H - 5.31205 12.24495 22.10000 H - 2.22966 10.10770 22.10000 H - 13.86483 5.53890 22.10000 O - 14.74091 8.03417 22.10000 N - 12.67681 5.99599 22.10000 C - 12.40433 7.44502 22.10000 C - 13.44665 8.35999 22.10000 C - 15.79743 8.88428 22.10000 C - 17.11504 8.38714 22.10000 C - 15.62499 10.28936 22.10000 C - 17.28545 7.29656 22.10000 H - 13.21511 9.44862 22.10000 H - 14.60760 10.72282 22.10000 H - 14.91730 6.98480 22.10000 H - 2.13560 14.77675 22.10000 O - 0.41266 16.78308 22.10000 N - 1.14573 13.97644 22.10000 C - 0.20470 18.12311 22.10000 C - 1.29404 19.01562 22.10000 C - 2.32372 18.61790 22.10000 H - 1.40964 16.41115 22.10000 H - 10.82677 9.23785 22.10000 O - 8.22775 8.74891 22.10000 N - 11.02492 7.98045 22.10000 C - 9.90626 7.01996 22.10000 C - 8.59271 7.46514 22.10000 C - 6.96326 9.23883 22.10000 C - 6.73500 10.62847 22.10000 C - 5.83264 8.38695 22.10000 C - 7.59427 11.32134 22.10000 H - 7.76569 6.72031 22.10000 H - 5.96595 7.28914 22.10000 H - 9.04834 9.42635 22.10000 H - 9.14240 4.75734 22.10000 O - 10.86534 2.75097 22.10000 N - 10.13227 5.55765 22.10000 C - 11.52341 5.06910 22.10000 C - 11.79465 3.70891 22.10000 C - 11.07330 1.41094 22.10000 C - 9.98396 0.51843 22.10000 C - 12.37636 0.85774 22.10000 C - 8.95428 0.91614 22.10000 H - 12.85320 3.36512 22.10000 H - 13.26045 1.52209 22.10000 H - 9.86836 3.12290 22.10000 H - 22.31059 14.46498 22.10000 C - 22.03935 15.82513 22.10000 C - 21.45764 18.67631 22.10000 C - 20.98080 16.16893 22.10000 H - 20.57355 18.01196 22.10000 H - 19.96917 13.99519 22.10000 O - 19.09309 11.49988 22.10000 N - 21.15719 13.53810 22.10000 C - 21.42967 12.08907 22.10000 C - 20.38735 11.17406 22.10000 C - 18.03657 10.64976 22.10000 C - 16.71896 11.14690 22.10000 C - 18.20901 9.24469 22.10000 C - 16.54855 12.23752 22.10000 H - 20.61889 10.08543 22.10000 H - 19.22640 8.81123 22.10000 H - 18.91670 12.54929 22.10000 H - 2.58683 25.07294 22.10000 O - 3.46291 27.56825 22.10000 N - 1.39881 25.53004 22.10000 C - 1.12633 26.97911 22.10000 C - 2.16865 27.89408 22.10000 C - 4.51943 28.41837 22.10000 C - 5.83704 27.92123 22.10000 C - 4.34699 29.82345 22.10000 C - 6.00745 26.83061 22.10000 H - 1.93711 28.98271 22.10000 H - 3.32960 30.25691 22.10000 H - 3.63930 26.51889 22.10000 H - 0.24541 24.60315 22.10000 C - 0.51665 23.24300 22.10000 C - 1.09836 20.39182 22.10000 C - 1.57520 22.89920 22.10000 H - 1.98245 21.05617 22.10000 H - 11.72923 29.83029 22.10000 O - 14.32825 30.31922 22.10000 N - 11.53108 31.08769 22.10000 C - 12.64974 32.04817 22.10000 C - 13.96329 31.60299 22.10000 C - 15.59274 29.82931 22.10000 C - 15.82100 28.43966 22.10000 C - 16.72336 30.68119 22.10000 C - 14.96173 27.74679 22.10000 H - 14.79031 32.34782 22.10000 H - 16.59005 31.77900 22.10000 H - 13.50766 29.64178 22.10000 H - 13.41360 34.31079 22.10000 O - 11.69066 36.31717 22.10000 N - 12.42373 33.51049 22.10000 C - 11.03259 33.99903 22.10000 C - 10.76135 35.35922 22.10000 C - 11.48270 37.65720 22.10000 C - 12.57204 38.54970 22.10000 C - 10.17964 38.21040 22.10000 C - 13.60172 38.15199 22.10000 H - 9.70280 35.70302 22.10000 H - 9.29555 37.54605 22.10000 H - 12.68764 35.94524 22.10000 H - 22.10477 28.77194 22.10000 O - 19.50575 28.28300 22.10000 N - 22.30292 27.51453 22.10000 C - 21.18426 26.55401 22.10000 C - 19.87071 26.99923 22.10000 C - 18.24126 28.77291 22.10000 C - 18.01300 30.16256 22.10000 C - 17.11064 27.92104 22.10000 C - 18.87227 30.85543 22.10000 H - 19.04369 26.25440 22.10000 H - 17.24395 26.82323 22.10000 H - 20.32634 28.96044 22.10000 H - 8.69117 33.52924 22.10000 O - 7.81509 31.03397 22.10000 N - 9.87919 33.07214 22.10000 C - 10.15167 31.62311 22.10000 C - 9.10935 30.70814 22.10000 C - 6.75857 30.18385 22.10000 C - 5.44096 30.68099 22.10000 C - 6.93101 28.77877 22.10000 C - 5.27055 31.77157 22.10000 H - 9.34089 29.61951 22.10000 H - 7.94840 28.34531 22.10000 H - 7.63870 32.08333 22.10000 H - 20.42040 24.29139 22.10000 O - 22.14334 22.28506 22.10000 N - 21.41027 25.09170 22.10000 C - 22.35130 20.94503 22.10000 C - 21.26196 20.05248 22.10000 C - 20.23228 20.45023 22.10000 H - 21.14636 22.65698 22.10000 H - 0.45123 10.29620 25.50000 O - 3.05025 10.78513 25.50000 N - 0.25308 11.55360 25.50000 C - 1.37174 12.51413 25.50000 C - 2.68529 12.06895 25.50000 C - 4.31474 10.29522 25.50000 C - 4.54300 8.90558 25.50000 C - 5.44536 11.14714 25.50000 C - 3.68373 8.21271 25.50000 H - 3.51231 12.81378 25.50000 H - 5.31205 12.24495 25.50000 H - 2.22966 10.10770 25.50000 H - 13.86483 5.53890 25.50000 O - 14.74091 8.03417 25.50000 N - 12.67681 5.99599 25.50000 C - 12.40433 7.44502 25.50000 C - 13.44665 8.35999 25.50000 C - 15.79743 8.88428 25.50000 C - 17.11504 8.38714 25.50000 C - 15.62499 10.28936 25.50000 C - 17.28545 7.29656 25.50000 H - 13.21511 9.44862 25.50000 H - 14.60760 10.72282 25.50000 H - 14.91730 6.98480 25.50000 H - 2.13560 14.77675 25.50000 O - 0.41266 16.78308 25.50000 N - 1.14573 13.97644 25.50000 C - 0.20470 18.12311 25.50000 C - 1.29404 19.01562 25.50000 C - 2.32372 18.61790 25.50000 H - 1.40964 16.41115 25.50000 H - 10.82677 9.23785 25.50000 O - 8.22775 8.74891 25.50000 N - 11.02492 7.98045 25.50000 C - 9.90626 7.01996 25.50000 C - 8.59271 7.46514 25.50000 C - 6.96326 9.23883 25.50000 C - 6.73500 10.62847 25.50000 C - 5.83264 8.38695 25.50000 C - 7.59427 11.32134 25.50000 H - 7.76569 6.72031 25.50000 H - 5.96595 7.28914 25.50000 H - 9.04834 9.42635 25.50000 H - 9.14240 4.75734 25.50000 O - 10.86534 2.75097 25.50000 N - 10.13227 5.55765 25.50000 C - 11.52341 5.06910 25.50000 C - 11.79465 3.70891 25.50000 C - 11.07330 1.41094 25.50000 C - 9.98396 0.51843 25.50000 C - 12.37636 0.85774 25.50000 C - 8.95428 0.91614 25.50000 H - 12.85320 3.36512 25.50000 H - 13.26045 1.52209 25.50000 H - 9.86836 3.12290 25.50000 H - 22.31059 14.46498 25.50000 C - 22.03935 15.82513 25.50000 C - 21.45764 18.67631 25.50000 C - 20.98080 16.16893 25.50000 H - 20.57355 18.01196 25.50000 H - 19.96917 13.99519 25.50000 O - 19.09309 11.49988 25.50000 N - 21.15719 13.53810 25.50000 C - 21.42967 12.08907 25.50000 C - 20.38735 11.17406 25.50000 C - 18.03657 10.64976 25.50000 C - 16.71896 11.14690 25.50000 C - 18.20901 9.24469 25.50000 C - 16.54855 12.23752 25.50000 H - 20.61889 10.08543 25.50000 H - 19.22640 8.81123 25.50000 H - 18.91670 12.54929 25.50000 H - 2.58683 25.07294 25.50000 O - 3.46291 27.56825 25.50000 N - 1.39881 25.53004 25.50000 C - 1.12633 26.97911 25.50000 C - 2.16865 27.89408 25.50000 C - 4.51943 28.41837 25.50000 C - 5.83704 27.92123 25.50000 C - 4.34699 29.82345 25.50000 C - 6.00745 26.83061 25.50000 H - 1.93711 28.98271 25.50000 H - 3.32960 30.25691 25.50000 H - 3.63930 26.51889 25.50000 H - 0.24541 24.60315 25.50000 C - 0.51665 23.24300 25.50000 C - 1.09836 20.39182 25.50000 C - 1.57520 22.89920 25.50000 H - 1.98245 21.05617 25.50000 H - 11.72923 29.83029 25.50000 O - 14.32825 30.31922 25.50000 N - 11.53108 31.08769 25.50000 C - 12.64974 32.04817 25.50000 C - 13.96329 31.60299 25.50000 C - 15.59274 29.82931 25.50000 C - 15.82100 28.43966 25.50000 C - 16.72336 30.68119 25.50000 C - 14.96173 27.74679 25.50000 H - 14.79031 32.34782 25.50000 H - 16.59005 31.77900 25.50000 H - 13.50766 29.64178 25.50000 H - 13.41360 34.31079 25.50000 O - 11.69066 36.31717 25.50000 N - 12.42373 33.51049 25.50000 C - 11.03259 33.99903 25.50000 C - 10.76135 35.35922 25.50000 C - 11.48270 37.65720 25.50000 C - 12.57204 38.54970 25.50000 C - 10.17964 38.21040 25.50000 C - 13.60172 38.15199 25.50000 H - 9.70280 35.70302 25.50000 H - 9.29555 37.54605 25.50000 H - 12.68764 35.94524 25.50000 H - 22.10477 28.77194 25.50000 O - 19.50575 28.28300 25.50000 N - 22.30292 27.51453 25.50000 C - 21.18426 26.55401 25.50000 C - 19.87071 26.99923 25.50000 C - 18.24126 28.77291 25.50000 C - 18.01300 30.16256 25.50000 C - 17.11064 27.92104 25.50000 C - 18.87227 30.85543 25.50000 H - 19.04369 26.25440 25.50000 H - 17.24395 26.82323 25.50000 H - 20.32634 28.96044 25.50000 H - 8.69117 33.52924 25.50000 O - 7.81509 31.03397 25.50000 N - 9.87919 33.07214 25.50000 C - 10.15167 31.62311 25.50000 C - 9.10935 30.70814 25.50000 C - 6.75857 30.18385 25.50000 C - 5.44096 30.68099 25.50000 C - 6.93101 28.77877 25.50000 C - 5.27055 31.77157 25.50000 H - 9.34089 29.61951 25.50000 H - 7.94840 28.34531 25.50000 H - 7.63870 32.08333 25.50000 H - 20.42040 24.29139 25.50000 O - 22.14334 22.28506 25.50000 N - 21.41027 25.09170 25.50000 C - 22.35130 20.94503 25.50000 C - 21.26196 20.05248 25.50000 C - 20.23228 20.45023 25.50000 H - 21.14636 22.65698 25.50000 H - 0.45123 10.29620 28.90000 O - 3.05025 10.78513 28.90000 N - 0.25308 11.55360 28.90000 C - 1.37174 12.51413 28.90000 C - 2.68529 12.06895 28.90000 C - 4.31474 10.29522 28.90000 C - 4.54300 8.90558 28.90000 C - 5.44536 11.14714 28.90000 C - 3.68373 8.21271 28.90000 H - 3.51231 12.81378 28.90000 H - 5.31205 12.24495 28.90000 H - 2.22966 10.10770 28.90000 H - 13.86483 5.53890 28.90000 O - 14.74091 8.03417 28.90000 N - 12.67681 5.99599 28.90000 C - 12.40433 7.44502 28.90000 C - 13.44665 8.35999 28.90000 C - 15.79743 8.88428 28.90000 C - 17.11504 8.38714 28.90000 C - 15.62499 10.28936 28.90000 C - 17.28545 7.29656 28.90000 H - 13.21511 9.44862 28.90000 H - 14.60760 10.72282 28.90000 H - 14.91730 6.98480 28.90000 H - 2.13560 14.77675 28.90000 O - 0.41266 16.78308 28.90000 N - 1.14573 13.97644 28.90000 C - 0.20470 18.12311 28.90000 C - 1.29404 19.01562 28.90000 C - 2.32372 18.61790 28.90000 H - 1.40964 16.41115 28.90000 H - 10.82677 9.23785 28.90000 O - 8.22775 8.74891 28.90000 N - 11.02492 7.98045 28.90000 C - 9.90626 7.01996 28.90000 C - 8.59271 7.46514 28.90000 C - 6.96326 9.23883 28.90000 C - 6.73500 10.62847 28.90000 C - 5.83264 8.38695 28.90000 C - 7.59427 11.32134 28.90000 H - 7.76569 6.72031 28.90000 H - 5.96595 7.28914 28.90000 H - 9.04834 9.42635 28.90000 H - 9.14240 4.75734 28.90000 O - 10.86534 2.75097 28.90000 N - 10.13227 5.55765 28.90000 C - 11.52341 5.06910 28.90000 C - 11.79465 3.70891 28.90000 C - 11.07330 1.41094 28.90000 C - 9.98396 0.51843 28.90000 C - 12.37636 0.85774 28.90000 C - 8.95428 0.91614 28.90000 H - 12.85320 3.36512 28.90000 H - 13.26045 1.52209 28.90000 H - 9.86836 3.12290 28.90000 H - 22.31059 14.46498 28.90000 C - 22.03935 15.82513 28.90000 C - 21.45764 18.67631 28.90000 C - 20.98080 16.16893 28.90000 H - 20.57355 18.01196 28.90000 H - 19.96917 13.99519 28.90000 O - 19.09309 11.49988 28.90000 N - 21.15719 13.53810 28.90000 C - 21.42967 12.08907 28.90000 C - 20.38735 11.17406 28.90000 C - 18.03657 10.64976 28.90000 C - 16.71896 11.14690 28.90000 C - 18.20901 9.24469 28.90000 C - 16.54855 12.23752 28.90000 H - 20.61889 10.08543 28.90000 H - 19.22640 8.81123 28.90000 H - 18.91670 12.54929 28.90000 H - 2.58683 25.07294 28.90000 O - 3.46291 27.56825 28.90000 N - 1.39881 25.53004 28.90000 C - 1.12633 26.97911 28.90000 C - 2.16865 27.89408 28.90000 C - 4.51943 28.41837 28.90000 C - 5.83704 27.92123 28.90000 C - 4.34699 29.82345 28.90000 C - 6.00745 26.83061 28.90000 H - 1.93711 28.98271 28.90000 H - 3.32960 30.25691 28.90000 H - 3.63930 26.51889 28.90000 H - 0.24541 24.60315 28.90000 C - 0.51665 23.24300 28.90000 C - 1.09836 20.39182 28.90000 C - 1.57520 22.89920 28.90000 H - 1.98245 21.05617 28.90000 H - 11.72923 29.83029 28.90000 O - 14.32825 30.31922 28.90000 N - 11.53108 31.08769 28.90000 C - 12.64974 32.04817 28.90000 C - 13.96329 31.60299 28.90000 C - 15.59274 29.82931 28.90000 C - 15.82100 28.43966 28.90000 C - 16.72336 30.68119 28.90000 C - 14.96173 27.74679 28.90000 H - 14.79031 32.34782 28.90000 H - 16.59005 31.77900 28.90000 H - 13.50766 29.64178 28.90000 H - 13.41360 34.31079 28.90000 O - 11.69066 36.31717 28.90000 N - 12.42373 33.51049 28.90000 C - 11.03259 33.99903 28.90000 C - 10.76135 35.35922 28.90000 C - 11.48270 37.65720 28.90000 C - 12.57204 38.54970 28.90000 C - 10.17964 38.21040 28.90000 C - 13.60172 38.15199 28.90000 H - 9.70280 35.70302 28.90000 H - 9.29555 37.54605 28.90000 H - 12.68764 35.94524 28.90000 H - 22.10477 28.77194 28.90000 O - 19.50575 28.28300 28.90000 N - 22.30292 27.51453 28.90000 C - 21.18426 26.55401 28.90000 C - 19.87071 26.99923 28.90000 C - 18.24126 28.77291 28.90000 C - 18.01300 30.16256 28.90000 C - 17.11064 27.92104 28.90000 C - 18.87227 30.85543 28.90000 H - 19.04369 26.25440 28.90000 H - 17.24395 26.82323 28.90000 H - 20.32634 28.96044 28.90000 H - 8.69117 33.52924 28.90000 O - 7.81509 31.03397 28.90000 N - 9.87919 33.07214 28.90000 C - 10.15167 31.62311 28.90000 C - 9.10935 30.70814 28.90000 C - 6.75857 30.18385 28.90000 C - 5.44096 30.68099 28.90000 C - 6.93101 28.77877 28.90000 C - 5.27055 31.77157 28.90000 H - 9.34089 29.61951 28.90000 H - 7.94840 28.34531 28.90000 H - 7.63870 32.08333 28.90000 H - 20.42040 24.29139 28.90000 O - 22.14334 22.28506 28.90000 N - 21.41027 25.09170 28.90000 C - 22.35130 20.94503 28.90000 C - 21.26196 20.05248 28.90000 C - 20.23228 20.45023 28.90000 H - 21.14636 22.65698 28.90000 H - 23.00723 10.29620 1.70000 O - 25.60625 10.78513 1.70000 N - 22.80908 11.55360 1.70000 C - 23.92774 12.51413 1.70000 C - 25.24129 12.06895 1.70000 C - 26.87074 10.29522 1.70000 C - 27.09900 8.90558 1.70000 C - 28.00136 11.14714 1.70000 C - 26.23973 8.21271 1.70000 H - 26.06831 12.81378 1.70000 H - 27.86805 12.24495 1.70000 H - 24.78566 10.10770 1.70000 H - 36.42083 5.53890 1.70000 O - 37.29691 8.03417 1.70000 N - 35.23281 5.99599 1.70000 C - 34.96033 7.44502 1.70000 C - 36.00265 8.35999 1.70000 C - 38.35343 8.88428 1.70000 C - 39.67104 8.38714 1.70000 C - 38.18099 10.28936 1.70000 C - 39.84145 7.29656 1.70000 H - 35.77111 9.44862 1.70000 H - 37.16360 10.72282 1.70000 H - 37.47330 6.98480 1.70000 H - 24.69160 14.77675 1.70000 O - 22.96866 16.78308 1.70000 N - 23.70173 13.97644 1.70000 C - 22.76070 18.12311 1.70000 C - 23.85004 19.01562 1.70000 C - 24.87972 18.61790 1.70000 H - 23.96564 16.41115 1.70000 H - 33.38277 9.23785 1.70000 O - 30.78375 8.74891 1.70000 N - 33.58092 7.98045 1.70000 C - 32.46226 7.01996 1.70000 C - 31.14871 7.46514 1.70000 C - 29.51926 9.23883 1.70000 C - 29.29100 10.62847 1.70000 C - 28.38864 8.38695 1.70000 C - 30.15027 11.32134 1.70000 H - 30.32169 6.72031 1.70000 H - 28.52195 7.28914 1.70000 H - 31.60434 9.42635 1.70000 H - 31.69840 4.75734 1.70000 O - 33.42134 2.75097 1.70000 N - 32.68827 5.55765 1.70000 C - 34.07941 5.06910 1.70000 C - 34.35065 3.70891 1.70000 C - 33.62930 1.41094 1.70000 C - 32.53996 0.51843 1.70000 C - 34.93236 0.85774 1.70000 C - 31.51028 0.91614 1.70000 H - 35.40920 3.36512 1.70000 H - 35.81645 1.52209 1.70000 H - 32.42436 3.12290 1.70000 H - 44.86659 14.46498 1.70000 C - 44.59535 15.82513 1.70000 C - 44.01364 18.67631 1.70000 C - 43.53680 16.16893 1.70000 H - 43.12955 18.01196 1.70000 H - 42.52517 13.99519 1.70000 O - 41.64909 11.49988 1.70000 N - 43.71319 13.53810 1.70000 C - 43.98567 12.08907 1.70000 C - 42.94335 11.17406 1.70000 C - 40.59257 10.64976 1.70000 C - 39.27496 11.14690 1.70000 C - 40.76501 9.24469 1.70000 C - 39.10455 12.23752 1.70000 H - 43.17489 10.08543 1.70000 H - 41.78240 8.81123 1.70000 H - 41.47270 12.54929 1.70000 H - 25.14283 25.07294 1.70000 O - 26.01891 27.56825 1.70000 N - 23.95481 25.53004 1.70000 C - 23.68233 26.97911 1.70000 C - 24.72465 27.89408 1.70000 C - 27.07543 28.41837 1.70000 C - 28.39304 27.92123 1.70000 C - 26.90299 29.82345 1.70000 C - 28.56345 26.83061 1.70000 H - 24.49311 28.98271 1.70000 H - 25.88560 30.25691 1.70000 H - 26.19530 26.51889 1.70000 H - 22.80141 24.60315 1.70000 C - 23.07265 23.24300 1.70000 C - 23.65436 20.39182 1.70000 C - 24.13120 22.89920 1.70000 H - 24.53845 21.05617 1.70000 H - 34.28523 29.83029 1.70000 O - 36.88425 30.31922 1.70000 N - 34.08708 31.08769 1.70000 C - 35.20574 32.04817 1.70000 C - 36.51929 31.60299 1.70000 C - 38.14874 29.82931 1.70000 C - 38.37700 28.43966 1.70000 C - 39.27936 30.68119 1.70000 C - 37.51773 27.74679 1.70000 H - 37.34631 32.34782 1.70000 H - 39.14605 31.77900 1.70000 H - 36.06366 29.64178 1.70000 H - 35.96960 34.31079 1.70000 O - 34.24666 36.31717 1.70000 N - 34.97973 33.51049 1.70000 C - 33.58859 33.99903 1.70000 C - 33.31735 35.35922 1.70000 C - 34.03870 37.65720 1.70000 C - 35.12804 38.54970 1.70000 C - 32.73564 38.21040 1.70000 C - 36.15772 38.15199 1.70000 H - 32.25880 35.70302 1.70000 H - 31.85155 37.54605 1.70000 H - 35.24364 35.94524 1.70000 H - 44.66077 28.77194 1.70000 O - 42.06175 28.28300 1.70000 N - 44.85892 27.51453 1.70000 C - 43.74026 26.55401 1.70000 C - 42.42671 26.99923 1.70000 C - 40.79726 28.77291 1.70000 C - 40.56900 30.16256 1.70000 C - 39.66664 27.92104 1.70000 C - 41.42827 30.85543 1.70000 H - 41.59969 26.25440 1.70000 H - 39.79995 26.82323 1.70000 H - 42.88234 28.96044 1.70000 H - 31.24717 33.52924 1.70000 O - 30.37109 31.03397 1.70000 N - 32.43519 33.07214 1.70000 C - 32.70767 31.62311 1.70000 C - 31.66535 30.70814 1.70000 C - 29.31457 30.18385 1.70000 C - 27.99696 30.68099 1.70000 C - 29.48701 28.77877 1.70000 C - 27.82655 31.77157 1.70000 H - 31.89689 29.61951 1.70000 H - 30.50440 28.34531 1.70000 H - 30.19470 32.08333 1.70000 H - 42.97640 24.29139 1.70000 O - 44.69934 22.28506 1.70000 N - 43.96627 25.09170 1.70000 C - 44.90730 20.94503 1.70000 C - 43.81796 20.05248 1.70000 C - 42.78828 20.45023 1.70000 H - 43.70236 22.65698 1.70000 H - 23.00723 10.29620 5.10000 O - 25.60625 10.78513 5.10000 N - 22.80908 11.55360 5.10000 C - 23.92774 12.51413 5.10000 C - 25.24129 12.06895 5.10000 C - 26.87074 10.29522 5.10000 C - 27.09900 8.90558 5.10000 C - 28.00136 11.14714 5.10000 C - 26.23973 8.21271 5.10000 H - 26.06831 12.81378 5.10000 H - 27.86805 12.24495 5.10000 H - 24.78566 10.10770 5.10000 H - 36.42083 5.53890 5.10000 O - 37.29691 8.03417 5.10000 N - 35.23281 5.99599 5.10000 C - 34.96033 7.44502 5.10000 C - 36.00265 8.35999 5.10000 C - 38.35343 8.88428 5.10000 C - 39.67104 8.38714 5.10000 C - 38.18099 10.28936 5.10000 C - 39.84145 7.29656 5.10000 H - 35.77111 9.44862 5.10000 H - 37.16360 10.72282 5.10000 H - 37.47330 6.98480 5.10000 H - 24.69160 14.77675 5.10000 O - 22.96866 16.78308 5.10000 N - 23.70173 13.97644 5.10000 C - 22.76070 18.12311 5.10000 C - 23.85004 19.01562 5.10000 C - 24.87972 18.61790 5.10000 H - 23.96564 16.41115 5.10000 H - 33.38277 9.23785 5.10000 O - 30.78375 8.74891 5.10000 N - 33.58092 7.98045 5.10000 C - 32.46226 7.01996 5.10000 C - 31.14871 7.46514 5.10000 C - 29.51926 9.23883 5.10000 C - 29.29100 10.62847 5.10000 C - 28.38864 8.38695 5.10000 C - 30.15027 11.32134 5.10000 H - 30.32169 6.72031 5.10000 H - 28.52195 7.28914 5.10000 H - 31.60434 9.42635 5.10000 H - 31.69840 4.75734 5.10000 O - 33.42134 2.75097 5.10000 N - 32.68827 5.55765 5.10000 C - 34.07941 5.06910 5.10000 C - 34.35065 3.70891 5.10000 C - 33.62930 1.41094 5.10000 C - 32.53996 0.51843 5.10000 C - 34.93236 0.85774 5.10000 C - 31.51028 0.91614 5.10000 H - 35.40920 3.36512 5.10000 H - 35.81645 1.52209 5.10000 H - 32.42436 3.12290 5.10000 H - 44.86659 14.46498 5.10000 C - 44.59535 15.82513 5.10000 C - 44.01364 18.67631 5.10000 C - 43.53680 16.16893 5.10000 H - 43.12955 18.01196 5.10000 H - 42.52517 13.99519 5.10000 O - 41.64909 11.49988 5.10000 N - 43.71319 13.53810 5.10000 C - 43.98567 12.08907 5.10000 C - 42.94335 11.17406 5.10000 C - 40.59257 10.64976 5.10000 C - 39.27496 11.14690 5.10000 C - 40.76501 9.24469 5.10000 C - 39.10455 12.23752 5.10000 H - 43.17489 10.08543 5.10000 H - 41.78240 8.81123 5.10000 H - 41.47270 12.54929 5.10000 H - 25.14283 25.07294 5.10000 O - 26.01891 27.56825 5.10000 N - 23.95481 25.53004 5.10000 C - 23.68233 26.97911 5.10000 C - 24.72465 27.89408 5.10000 C - 27.07543 28.41837 5.10000 C - 28.39304 27.92123 5.10000 C - 26.90299 29.82345 5.10000 C - 28.56345 26.83061 5.10000 H - 24.49311 28.98271 5.10000 H - 25.88560 30.25691 5.10000 H - 26.19530 26.51889 5.10000 H - 22.80141 24.60315 5.10000 C - 23.07265 23.24300 5.10000 C - 23.65436 20.39182 5.10000 C - 24.13120 22.89920 5.10000 H - 24.53845 21.05617 5.10000 H - 34.28523 29.83029 5.10000 O - 36.88425 30.31922 5.10000 N - 34.08708 31.08769 5.10000 C - 35.20574 32.04817 5.10000 C - 36.51929 31.60299 5.10000 C - 38.14874 29.82931 5.10000 C - 38.37700 28.43966 5.10000 C - 39.27936 30.68119 5.10000 C - 37.51773 27.74679 5.10000 H - 37.34631 32.34782 5.10000 H - 39.14605 31.77900 5.10000 H - 36.06366 29.64178 5.10000 H - 35.96960 34.31079 5.10000 O - 34.24666 36.31717 5.10000 N - 34.97973 33.51049 5.10000 C - 33.58859 33.99903 5.10000 C - 33.31735 35.35922 5.10000 C - 34.03870 37.65720 5.10000 C - 35.12804 38.54970 5.10000 C - 32.73564 38.21040 5.10000 C - 36.15772 38.15199 5.10000 H - 32.25880 35.70302 5.10000 H - 31.85155 37.54605 5.10000 H - 35.24364 35.94524 5.10000 H - 44.66077 28.77194 5.10000 O - 42.06175 28.28300 5.10000 N - 44.85892 27.51453 5.10000 C - 43.74026 26.55401 5.10000 C - 42.42671 26.99923 5.10000 C - 40.79726 28.77291 5.10000 C - 40.56900 30.16256 5.10000 C - 39.66664 27.92104 5.10000 C - 41.42827 30.85543 5.10000 H - 41.59969 26.25440 5.10000 H - 39.79995 26.82323 5.10000 H - 42.88234 28.96044 5.10000 H - 31.24717 33.52924 5.10000 O - 30.37109 31.03397 5.10000 N - 32.43519 33.07214 5.10000 C - 32.70767 31.62311 5.10000 C - 31.66535 30.70814 5.10000 C - 29.31457 30.18385 5.10000 C - 27.99696 30.68099 5.10000 C - 29.48701 28.77877 5.10000 C - 27.82655 31.77157 5.10000 H - 31.89689 29.61951 5.10000 H - 30.50440 28.34531 5.10000 H - 30.19470 32.08333 5.10000 H - 42.97640 24.29139 5.10000 O - 44.69934 22.28506 5.10000 N - 43.96627 25.09170 5.10000 C - 44.90730 20.94503 5.10000 C - 43.81796 20.05248 5.10000 C - 42.78828 20.45023 5.10000 H - 43.70236 22.65698 5.10000 H - 23.00723 10.29620 8.50000 O - 25.60625 10.78513 8.50000 N - 22.80908 11.55360 8.50000 C - 23.92774 12.51413 8.50000 C - 25.24129 12.06895 8.50000 C - 26.87074 10.29522 8.50000 C - 27.09900 8.90558 8.50000 C - 28.00136 11.14714 8.50000 C - 26.23973 8.21271 8.50000 H - 26.06831 12.81378 8.50000 H - 27.86805 12.24495 8.50000 H - 24.78566 10.10770 8.50000 H - 36.42083 5.53890 8.50000 O - 37.29691 8.03417 8.50000 N - 35.23281 5.99599 8.50000 C - 34.96033 7.44502 8.50000 C - 36.00265 8.35999 8.50000 C - 38.35343 8.88428 8.50000 C - 39.67104 8.38714 8.50000 C - 38.18099 10.28936 8.50000 C - 39.84145 7.29656 8.50000 H - 35.77111 9.44862 8.50000 H - 37.16360 10.72282 8.50000 H - 37.47330 6.98480 8.50000 H - 24.69160 14.77675 8.50000 O - 22.96866 16.78308 8.50000 N - 23.70173 13.97644 8.50000 C - 22.76070 18.12311 8.50000 C - 23.85004 19.01562 8.50000 C - 24.87972 18.61790 8.50000 H - 23.96564 16.41115 8.50000 H - 33.38277 9.23785 8.50000 O - 30.78375 8.74891 8.50000 N - 33.58092 7.98045 8.50000 C - 32.46226 7.01996 8.50000 C - 31.14871 7.46514 8.50000 C - 29.51926 9.23883 8.50000 C - 29.29100 10.62847 8.50000 C - 28.38864 8.38695 8.50000 C - 30.15027 11.32134 8.50000 H - 30.32169 6.72031 8.50000 H - 28.52195 7.28914 8.50000 H - 31.60434 9.42635 8.50000 H - 31.69840 4.75734 8.50000 O - 33.42134 2.75097 8.50000 N - 32.68827 5.55765 8.50000 C - 34.07941 5.06910 8.50000 C - 34.35065 3.70891 8.50000 C - 33.62930 1.41094 8.50000 C - 32.53996 0.51843 8.50000 C - 34.93236 0.85774 8.50000 C - 31.51028 0.91614 8.50000 H - 35.40920 3.36512 8.50000 H - 35.81645 1.52209 8.50000 H - 32.42436 3.12290 8.50000 H - 44.86659 14.46498 8.50000 C - 44.59535 15.82513 8.50000 C - 44.01364 18.67631 8.50000 C - 43.53680 16.16893 8.50000 H - 43.12955 18.01196 8.50000 H - 42.52517 13.99519 8.50000 O - 41.64909 11.49988 8.50000 N - 43.71319 13.53810 8.50000 C - 43.98567 12.08907 8.50000 C - 42.94335 11.17406 8.50000 C - 40.59257 10.64976 8.50000 C - 39.27496 11.14690 8.50000 C - 40.76501 9.24469 8.50000 C - 39.10455 12.23752 8.50000 H - 43.17489 10.08543 8.50000 H - 41.78240 8.81123 8.50000 H - 41.47270 12.54929 8.50000 H - 25.14283 25.07294 8.50000 O - 26.01891 27.56825 8.50000 N - 23.95481 25.53004 8.50000 C - 23.68233 26.97911 8.50000 C - 24.72465 27.89408 8.50000 C - 27.07543 28.41837 8.50000 C - 28.39304 27.92123 8.50000 C - 26.90299 29.82345 8.50000 C - 28.56345 26.83061 8.50000 H - 24.49311 28.98271 8.50000 H - 25.88560 30.25691 8.50000 H - 26.19530 26.51889 8.50000 H - 22.80141 24.60315 8.50000 C - 23.07265 23.24300 8.50000 C - 23.65436 20.39182 8.50000 C - 24.13120 22.89920 8.50000 H - 24.53845 21.05617 8.50000 H - 34.28523 29.83029 8.50000 O - 36.88425 30.31922 8.50000 N - 34.08708 31.08769 8.50000 C - 35.20574 32.04817 8.50000 C - 36.51929 31.60299 8.50000 C - 38.14874 29.82931 8.50000 C - 38.37700 28.43966 8.50000 C - 39.27936 30.68119 8.50000 C - 37.51773 27.74679 8.50000 H - 37.34631 32.34782 8.50000 H - 39.14605 31.77900 8.50000 H - 36.06366 29.64178 8.50000 H - 35.96960 34.31079 8.50000 O - 34.24666 36.31717 8.50000 N - 34.97973 33.51049 8.50000 C - 33.58859 33.99903 8.50000 C - 33.31735 35.35922 8.50000 C - 34.03870 37.65720 8.50000 C - 35.12804 38.54970 8.50000 C - 32.73564 38.21040 8.50000 C - 36.15772 38.15199 8.50000 H - 32.25880 35.70302 8.50000 H - 31.85155 37.54605 8.50000 H - 35.24364 35.94524 8.50000 H - 44.66077 28.77194 8.50000 O - 42.06175 28.28300 8.50000 N - 44.85892 27.51453 8.50000 C - 43.74026 26.55401 8.50000 C - 42.42671 26.99923 8.50000 C - 40.79726 28.77291 8.50000 C - 40.56900 30.16256 8.50000 C - 39.66664 27.92104 8.50000 C - 41.42827 30.85543 8.50000 H - 41.59969 26.25440 8.50000 H - 39.79995 26.82323 8.50000 H - 42.88234 28.96044 8.50000 H - 31.24717 33.52924 8.50000 O - 30.37109 31.03397 8.50000 N - 32.43519 33.07214 8.50000 C - 32.70767 31.62311 8.50000 C - 31.66535 30.70814 8.50000 C - 29.31457 30.18385 8.50000 C - 27.99696 30.68099 8.50000 C - 29.48701 28.77877 8.50000 C - 27.82655 31.77157 8.50000 H - 31.89689 29.61951 8.50000 H - 30.50440 28.34531 8.50000 H - 30.19470 32.08333 8.50000 H - 42.97640 24.29139 8.50000 O - 44.69934 22.28506 8.50000 N - 43.96627 25.09170 8.50000 C - 44.90730 20.94503 8.50000 C - 43.81796 20.05248 8.50000 C - 42.78828 20.45023 8.50000 H - 43.70236 22.65698 8.50000 H - 23.00723 10.29620 11.90000 O - 25.60625 10.78513 11.90000 N - 22.80908 11.55360 11.90000 C - 23.92774 12.51413 11.90000 C - 25.24129 12.06895 11.90000 C - 26.87074 10.29522 11.90000 C - 27.09900 8.90558 11.90000 C - 28.00136 11.14714 11.90000 C - 26.23973 8.21271 11.90000 H - 26.06831 12.81378 11.90000 H - 27.86805 12.24495 11.90000 H - 24.78566 10.10770 11.90000 H - 36.42083 5.53890 11.90000 O - 37.29691 8.03417 11.90000 N - 35.23281 5.99599 11.90000 C - 34.96033 7.44502 11.90000 C - 36.00265 8.35999 11.90000 C - 38.35343 8.88428 11.90000 C - 39.67104 8.38714 11.90000 C - 38.18099 10.28936 11.90000 C - 39.84145 7.29656 11.90000 H - 35.77111 9.44862 11.90000 H - 37.16360 10.72282 11.90000 H - 37.47330 6.98480 11.90000 H - 24.69160 14.77675 11.90000 O - 22.96866 16.78308 11.90000 N - 23.70173 13.97644 11.90000 C - 22.76070 18.12311 11.90000 C - 23.85004 19.01562 11.90000 C - 24.87972 18.61790 11.90000 H - 23.96564 16.41115 11.90000 H - 33.38277 9.23785 11.90000 O - 30.78375 8.74891 11.90000 N - 33.58092 7.98045 11.90000 C - 32.46226 7.01996 11.90000 C - 31.14871 7.46514 11.90000 C - 29.51926 9.23883 11.90000 C - 29.29100 10.62847 11.90000 C - 28.38864 8.38695 11.90000 C - 30.15027 11.32134 11.90000 H - 30.32169 6.72031 11.90000 H - 28.52195 7.28914 11.90000 H - 31.60434 9.42635 11.90000 H - 31.69840 4.75734 11.90000 O - 33.42134 2.75097 11.90000 N - 32.68827 5.55765 11.90000 C - 34.07941 5.06910 11.90000 C - 34.35065 3.70891 11.90000 C - 33.62930 1.41094 11.90000 C - 32.53996 0.51843 11.90000 C - 34.93236 0.85774 11.90000 C - 31.51028 0.91614 11.90000 H - 35.40920 3.36512 11.90000 H - 35.81645 1.52209 11.90000 H - 32.42436 3.12290 11.90000 H - 44.86659 14.46498 11.90000 C - 44.59535 15.82513 11.90000 C - 44.01364 18.67631 11.90000 C - 43.53680 16.16893 11.90000 H - 43.12955 18.01196 11.90000 H - 42.52517 13.99519 11.90000 O - 41.64909 11.49988 11.90000 N - 43.71319 13.53810 11.90000 C - 43.98567 12.08907 11.90000 C - 42.94335 11.17406 11.90000 C - 40.59257 10.64976 11.90000 C - 39.27496 11.14690 11.90000 C - 40.76501 9.24469 11.90000 C - 39.10455 12.23752 11.90000 H - 43.17489 10.08543 11.90000 H - 41.78240 8.81123 11.90000 H - 41.47270 12.54929 11.90000 H - 25.14283 25.07294 11.90000 O - 26.01891 27.56825 11.90000 N - 23.95481 25.53004 11.90000 C - 23.68233 26.97911 11.90000 C - 24.72465 27.89408 11.90000 C - 27.07543 28.41837 11.90000 C - 28.39304 27.92123 11.90000 C - 26.90299 29.82345 11.90000 C - 28.56345 26.83061 11.90000 H - 24.49311 28.98271 11.90000 H - 25.88560 30.25691 11.90000 H - 26.19530 26.51889 11.90000 H - 22.80141 24.60315 11.90000 C - 23.07265 23.24300 11.90000 C - 23.65436 20.39182 11.90000 C - 24.13120 22.89920 11.90000 H - 24.53845 21.05617 11.90000 H - 34.28523 29.83029 11.90000 O - 36.88425 30.31922 11.90000 N - 34.08708 31.08769 11.90000 C - 35.20574 32.04817 11.90000 C - 36.51929 31.60299 11.90000 C - 38.14874 29.82931 11.90000 C - 38.37700 28.43966 11.90000 C - 39.27936 30.68119 11.90000 C - 37.51773 27.74679 11.90000 H - 37.34631 32.34782 11.90000 H - 39.14605 31.77900 11.90000 H - 36.06366 29.64178 11.90000 H - 35.96960 34.31079 11.90000 O - 34.24666 36.31717 11.90000 N - 34.97973 33.51049 11.90000 C - 33.58859 33.99903 11.90000 C - 33.31735 35.35922 11.90000 C - 34.03870 37.65720 11.90000 C - 35.12804 38.54970 11.90000 C - 32.73564 38.21040 11.90000 C - 36.15772 38.15199 11.90000 H - 32.25880 35.70302 11.90000 H - 31.85155 37.54605 11.90000 H - 35.24364 35.94524 11.90000 H - 44.66077 28.77194 11.90000 O - 42.06175 28.28300 11.90000 N - 44.85892 27.51453 11.90000 C - 43.74026 26.55401 11.90000 C - 42.42671 26.99923 11.90000 C - 40.79726 28.77291 11.90000 C - 40.56900 30.16256 11.90000 C - 39.66664 27.92104 11.90000 C - 41.42827 30.85543 11.90000 H - 41.59969 26.25440 11.90000 H - 39.79995 26.82323 11.90000 H - 42.88234 28.96044 11.90000 H - 31.24717 33.52924 11.90000 O - 30.37109 31.03397 11.90000 N - 32.43519 33.07214 11.90000 C - 32.70767 31.62311 11.90000 C - 31.66535 30.70814 11.90000 C - 29.31457 30.18385 11.90000 C - 27.99696 30.68099 11.90000 C - 29.48701 28.77877 11.90000 C - 27.82655 31.77157 11.90000 H - 31.89689 29.61951 11.90000 H - 30.50440 28.34531 11.90000 H - 30.19470 32.08333 11.90000 H - 42.97640 24.29139 11.90000 O - 44.69934 22.28506 11.90000 N - 43.96627 25.09170 11.90000 C - 44.90730 20.94503 11.90000 C - 43.81796 20.05248 11.90000 C - 42.78828 20.45023 11.90000 H - 43.70236 22.65698 11.90000 H - 23.00723 10.29620 15.30000 O - 25.60625 10.78513 15.30000 N - 22.80908 11.55360 15.30000 C - 23.92774 12.51413 15.30000 C - 25.24129 12.06895 15.30000 C - 26.87074 10.29522 15.30000 C - 27.09900 8.90558 15.30000 C - 28.00136 11.14714 15.30000 C - 26.23973 8.21271 15.30000 H - 26.06831 12.81378 15.30000 H - 27.86805 12.24495 15.30000 H - 24.78566 10.10770 15.30000 H - 36.42083 5.53890 15.30000 O - 37.29691 8.03417 15.30000 N - 35.23281 5.99599 15.30000 C - 34.96033 7.44502 15.30000 C - 36.00265 8.35999 15.30000 C - 38.35343 8.88428 15.30000 C - 39.67104 8.38714 15.30000 C - 38.18099 10.28936 15.30000 C - 39.84145 7.29656 15.30000 H - 35.77111 9.44862 15.30000 H - 37.16360 10.72282 15.30000 H - 37.47330 6.98480 15.30000 H - 24.69160 14.77675 15.30000 O - 22.96866 16.78308 15.30000 N - 23.70173 13.97644 15.30000 C - 22.76070 18.12311 15.30000 C - 23.85004 19.01562 15.30000 C - 24.87972 18.61790 15.30000 H - 23.96564 16.41115 15.30000 H - 33.38277 9.23785 15.30000 O - 30.78375 8.74891 15.30000 N - 33.58092 7.98045 15.30000 C - 32.46226 7.01996 15.30000 C - 31.14871 7.46514 15.30000 C - 29.51926 9.23883 15.30000 C - 29.29100 10.62847 15.30000 C - 28.38864 8.38695 15.30000 C - 30.15027 11.32134 15.30000 H - 30.32169 6.72031 15.30000 H - 28.52195 7.28914 15.30000 H - 31.60434 9.42635 15.30000 H - 31.69840 4.75734 15.30000 O - 33.42134 2.75097 15.30000 N - 32.68827 5.55765 15.30000 C - 34.07941 5.06910 15.30000 C - 34.35065 3.70891 15.30000 C - 33.62930 1.41094 15.30000 C - 32.53996 0.51843 15.30000 C - 34.93236 0.85774 15.30000 C - 31.51028 0.91614 15.30000 H - 35.40920 3.36512 15.30000 H - 35.81645 1.52209 15.30000 H - 32.42436 3.12290 15.30000 H - 44.86659 14.46498 15.30000 C - 44.59535 15.82513 15.30000 C - 44.01364 18.67631 15.30000 C - 43.53680 16.16893 15.30000 H - 43.12955 18.01196 15.30000 H - 42.52517 13.99519 15.30000 O - 41.64909 11.49988 15.30000 N - 43.71319 13.53810 15.30000 C - 43.98567 12.08907 15.30000 C - 42.94335 11.17406 15.30000 C - 40.59257 10.64976 15.30000 C - 39.27496 11.14690 15.30000 C - 40.76501 9.24469 15.30000 C - 39.10455 12.23752 15.30000 H - 43.17489 10.08543 15.30000 H - 41.78240 8.81123 15.30000 H - 41.47270 12.54929 15.30000 H - 25.14283 25.07294 15.30000 O - 26.01891 27.56825 15.30000 N - 23.95481 25.53004 15.30000 C - 23.68233 26.97911 15.30000 C - 24.72465 27.89408 15.30000 C - 27.07543 28.41837 15.30000 C - 28.39304 27.92123 15.30000 C - 26.90299 29.82345 15.30000 C - 28.56345 26.83061 15.30000 H - 24.49311 28.98271 15.30000 H - 25.88560 30.25691 15.30000 H - 26.19530 26.51889 15.30000 H - 22.80141 24.60315 15.30000 C - 23.07265 23.24300 15.30000 C - 23.65436 20.39182 15.30000 C - 24.13120 22.89920 15.30000 H - 24.53845 21.05617 15.30000 H - 34.28523 29.83029 15.30000 O - 36.88425 30.31922 15.30000 N - 34.08708 31.08769 15.30000 C - 35.20574 32.04817 15.30000 C - 36.51929 31.60299 15.30000 C - 38.14874 29.82931 15.30000 C - 38.37700 28.43966 15.30000 C - 39.27936 30.68119 15.30000 C - 37.51773 27.74679 15.30000 H - 37.34631 32.34782 15.30000 H - 39.14605 31.77900 15.30000 H - 36.06366 29.64178 15.30000 H - 35.96960 34.31079 15.30000 O - 34.24666 36.31717 15.30000 N - 34.97973 33.51049 15.30000 C - 33.58859 33.99903 15.30000 C - 33.31735 35.35922 15.30000 C - 34.03870 37.65720 15.30000 C - 35.12804 38.54970 15.30000 C - 32.73564 38.21040 15.30000 C - 36.15772 38.15199 15.30000 H - 32.25880 35.70302 15.30000 H - 31.85155 37.54605 15.30000 H - 35.24364 35.94524 15.30000 H - 44.66077 28.77194 15.30000 O - 42.06175 28.28300 15.30000 N - 44.85892 27.51453 15.30000 C - 43.74026 26.55401 15.30000 C - 42.42671 26.99923 15.30000 C - 40.79726 28.77291 15.30000 C - 40.56900 30.16256 15.30000 C - 39.66664 27.92104 15.30000 C - 41.42827 30.85543 15.30000 H - 41.59969 26.25440 15.30000 H - 39.79995 26.82323 15.30000 H - 42.88234 28.96044 15.30000 H - 31.24717 33.52924 15.30000 O - 30.37109 31.03397 15.30000 N - 32.43519 33.07214 15.30000 C - 32.70767 31.62311 15.30000 C - 31.66535 30.70814 15.30000 C - 29.31457 30.18385 15.30000 C - 27.99696 30.68099 15.30000 C - 29.48701 28.77877 15.30000 C - 27.82655 31.77157 15.30000 H - 31.89689 29.61951 15.30000 H - 30.50440 28.34531 15.30000 H - 30.19470 32.08333 15.30000 H - 42.97640 24.29139 15.30000 O - 44.69934 22.28506 15.30000 N - 43.96627 25.09170 15.30000 C - 44.90730 20.94503 15.30000 C - 43.81796 20.05248 15.30000 C - 42.78828 20.45023 15.30000 H - 43.70236 22.65698 15.30000 H - 23.00723 10.29620 18.70000 O - 25.60625 10.78513 18.70000 N - 22.80908 11.55360 18.70000 C - 23.92774 12.51413 18.70000 C - 25.24129 12.06895 18.70000 C - 26.87074 10.29522 18.70000 C - 27.09900 8.90558 18.70000 C - 28.00136 11.14714 18.70000 C - 26.23973 8.21271 18.70000 H - 26.06831 12.81378 18.70000 H - 27.86805 12.24495 18.70000 H - 24.78566 10.10770 18.70000 H - 36.42083 5.53890 18.70000 O - 37.29691 8.03417 18.70000 N - 35.23281 5.99599 18.70000 C - 34.96033 7.44502 18.70000 C - 36.00265 8.35999 18.70000 C - 38.35343 8.88428 18.70000 C - 39.67104 8.38714 18.70000 C - 38.18099 10.28936 18.70000 C - 39.84145 7.29656 18.70000 H - 35.77111 9.44862 18.70000 H - 37.16360 10.72282 18.70000 H - 37.47330 6.98480 18.70000 H - 24.69160 14.77675 18.70000 O - 22.96866 16.78308 18.70000 N - 23.70173 13.97644 18.70000 C - 22.76070 18.12311 18.70000 C - 23.85004 19.01562 18.70000 C - 24.87972 18.61790 18.70000 H - 23.96564 16.41115 18.70000 H - 33.38277 9.23785 18.70000 O - 30.78375 8.74891 18.70000 N - 33.58092 7.98045 18.70000 C - 32.46226 7.01996 18.70000 C - 31.14871 7.46514 18.70000 C - 29.51926 9.23883 18.70000 C - 29.29100 10.62847 18.70000 C - 28.38864 8.38695 18.70000 C - 30.15027 11.32134 18.70000 H - 30.32169 6.72031 18.70000 H - 28.52195 7.28914 18.70000 H - 31.60434 9.42635 18.70000 H - 31.69840 4.75734 18.70000 O - 33.42134 2.75097 18.70000 N - 32.68827 5.55765 18.70000 C - 34.07941 5.06910 18.70000 C - 34.35065 3.70891 18.70000 C - 33.62930 1.41094 18.70000 C - 32.53996 0.51843 18.70000 C - 34.93236 0.85774 18.70000 C - 31.51028 0.91614 18.70000 H - 35.40920 3.36512 18.70000 H - 35.81645 1.52209 18.70000 H - 32.42436 3.12290 18.70000 H - 44.86659 14.46498 18.70000 C - 44.59535 15.82513 18.70000 C - 44.01364 18.67631 18.70000 C - 43.53680 16.16893 18.70000 H - 43.12955 18.01196 18.70000 H - 42.52517 13.99519 18.70000 O - 41.64909 11.49988 18.70000 N - 43.71319 13.53810 18.70000 C - 43.98567 12.08907 18.70000 C - 42.94335 11.17406 18.70000 C - 40.59257 10.64976 18.70000 C - 39.27496 11.14690 18.70000 C - 40.76501 9.24469 18.70000 C - 39.10455 12.23752 18.70000 H - 43.17489 10.08543 18.70000 H - 41.78240 8.81123 18.70000 H - 41.47270 12.54929 18.70000 H - 25.14283 25.07294 18.70000 O - 26.01891 27.56825 18.70000 N - 23.95481 25.53004 18.70000 C - 23.68233 26.97911 18.70000 C - 24.72465 27.89408 18.70000 C - 27.07543 28.41837 18.70000 C - 28.39304 27.92123 18.70000 C - 26.90299 29.82345 18.70000 C - 28.56345 26.83061 18.70000 H - 24.49311 28.98271 18.70000 H - 25.88560 30.25691 18.70000 H - 26.19530 26.51889 18.70000 H - 22.80141 24.60315 18.70000 C - 23.07265 23.24300 18.70000 C - 23.65436 20.39182 18.70000 C - 24.13120 22.89920 18.70000 H - 24.53845 21.05617 18.70000 H - 34.28523 29.83029 18.70000 O - 36.88425 30.31922 18.70000 N - 34.08708 31.08769 18.70000 C - 35.20574 32.04817 18.70000 C - 36.51929 31.60299 18.70000 C - 38.14874 29.82931 18.70000 C - 38.37700 28.43966 18.70000 C - 39.27936 30.68119 18.70000 C - 37.51773 27.74679 18.70000 H - 37.34631 32.34782 18.70000 H - 39.14605 31.77900 18.70000 H - 36.06366 29.64178 18.70000 H - 35.96960 34.31079 18.70000 O - 34.24666 36.31717 18.70000 N - 34.97973 33.51049 18.70000 C - 33.58859 33.99903 18.70000 C - 33.31735 35.35922 18.70000 C - 34.03870 37.65720 18.70000 C - 35.12804 38.54970 18.70000 C - 32.73564 38.21040 18.70000 C - 36.15772 38.15199 18.70000 H - 32.25880 35.70302 18.70000 H - 31.85155 37.54605 18.70000 H - 35.24364 35.94524 18.70000 H - 44.66077 28.77194 18.70000 O - 42.06175 28.28300 18.70000 N - 44.85892 27.51453 18.70000 C - 43.74026 26.55401 18.70000 C - 42.42671 26.99923 18.70000 C - 40.79726 28.77291 18.70000 C - 40.56900 30.16256 18.70000 C - 39.66664 27.92104 18.70000 C - 41.42827 30.85543 18.70000 H - 41.59969 26.25440 18.70000 H - 39.79995 26.82323 18.70000 H - 42.88234 28.96044 18.70000 H - 31.24717 33.52924 18.70000 O - 30.37109 31.03397 18.70000 N - 32.43519 33.07214 18.70000 C - 32.70767 31.62311 18.70000 C - 31.66535 30.70814 18.70000 C - 29.31457 30.18385 18.70000 C - 27.99696 30.68099 18.70000 C - 29.48701 28.77877 18.70000 C - 27.82655 31.77157 18.70000 H - 31.89689 29.61951 18.70000 H - 30.50440 28.34531 18.70000 H - 30.19470 32.08333 18.70000 H - 42.97640 24.29139 18.70000 O - 44.69934 22.28506 18.70000 N - 43.96627 25.09170 18.70000 C - 44.90730 20.94503 18.70000 C - 43.81796 20.05248 18.70000 C - 42.78828 20.45023 18.70000 H - 43.70236 22.65698 18.70000 H - 23.00723 10.29620 22.10000 O - 25.60625 10.78513 22.10000 N - 22.80908 11.55360 22.10000 C - 23.92774 12.51413 22.10000 C - 25.24129 12.06895 22.10000 C - 26.87074 10.29522 22.10000 C - 27.09900 8.90558 22.10000 C - 28.00136 11.14714 22.10000 C - 26.23973 8.21271 22.10000 H - 26.06831 12.81378 22.10000 H - 27.86805 12.24495 22.10000 H - 24.78566 10.10770 22.10000 H - 36.42083 5.53890 22.10000 O - 37.29691 8.03417 22.10000 N - 35.23281 5.99599 22.10000 C - 34.96033 7.44502 22.10000 C - 36.00265 8.35999 22.10000 C - 38.35343 8.88428 22.10000 C - 39.67104 8.38714 22.10000 C - 38.18099 10.28936 22.10000 C - 39.84145 7.29656 22.10000 H - 35.77111 9.44862 22.10000 H - 37.16360 10.72282 22.10000 H - 37.47330 6.98480 22.10000 H - 24.69160 14.77675 22.10000 O - 22.96866 16.78308 22.10000 N - 23.70173 13.97644 22.10000 C - 22.76070 18.12311 22.10000 C - 23.85004 19.01562 22.10000 C - 24.87972 18.61790 22.10000 H - 23.96564 16.41115 22.10000 H - 33.38277 9.23785 22.10000 O - 30.78375 8.74891 22.10000 N - 33.58092 7.98045 22.10000 C - 32.46226 7.01996 22.10000 C - 31.14871 7.46514 22.10000 C - 29.51926 9.23883 22.10000 C - 29.29100 10.62847 22.10000 C - 28.38864 8.38695 22.10000 C - 30.15027 11.32134 22.10000 H - 30.32169 6.72031 22.10000 H - 28.52195 7.28914 22.10000 H - 31.60434 9.42635 22.10000 H - 31.69840 4.75734 22.10000 O - 33.42134 2.75097 22.10000 N - 32.68827 5.55765 22.10000 C - 34.07941 5.06910 22.10000 C - 34.35065 3.70891 22.10000 C - 33.62930 1.41094 22.10000 C - 32.53996 0.51843 22.10000 C - 34.93236 0.85774 22.10000 C - 31.51028 0.91614 22.10000 H - 35.40920 3.36512 22.10000 H - 35.81645 1.52209 22.10000 H - 32.42436 3.12290 22.10000 H - 44.86659 14.46498 22.10000 C - 44.59535 15.82513 22.10000 C - 44.01364 18.67631 22.10000 C - 43.53680 16.16893 22.10000 H - 43.12955 18.01196 22.10000 H - 42.52517 13.99519 22.10000 O - 41.64909 11.49988 22.10000 N - 43.71319 13.53810 22.10000 C - 43.98567 12.08907 22.10000 C - 42.94335 11.17406 22.10000 C - 40.59257 10.64976 22.10000 C - 39.27496 11.14690 22.10000 C - 40.76501 9.24469 22.10000 C - 39.10455 12.23752 22.10000 H - 43.17489 10.08543 22.10000 H - 41.78240 8.81123 22.10000 H - 41.47270 12.54929 22.10000 H - 25.14283 25.07294 22.10000 O - 26.01891 27.56825 22.10000 N - 23.95481 25.53004 22.10000 C - 23.68233 26.97911 22.10000 C - 24.72465 27.89408 22.10000 C - 27.07543 28.41837 22.10000 C - 28.39304 27.92123 22.10000 C - 26.90299 29.82345 22.10000 C - 28.56345 26.83061 22.10000 H - 24.49311 28.98271 22.10000 H - 25.88560 30.25691 22.10000 H - 26.19530 26.51889 22.10000 H - 22.80141 24.60315 22.10000 C - 23.07265 23.24300 22.10000 C - 23.65436 20.39182 22.10000 C - 24.13120 22.89920 22.10000 H - 24.53845 21.05617 22.10000 H - 34.28523 29.83029 22.10000 O - 36.88425 30.31922 22.10000 N - 34.08708 31.08769 22.10000 C - 35.20574 32.04817 22.10000 C - 36.51929 31.60299 22.10000 C - 38.14874 29.82931 22.10000 C - 38.37700 28.43966 22.10000 C - 39.27936 30.68119 22.10000 C - 37.51773 27.74679 22.10000 H - 37.34631 32.34782 22.10000 H - 39.14605 31.77900 22.10000 H - 36.06366 29.64178 22.10000 H - 35.96960 34.31079 22.10000 O - 34.24666 36.31717 22.10000 N - 34.97973 33.51049 22.10000 C - 33.58859 33.99903 22.10000 C - 33.31735 35.35922 22.10000 C - 34.03870 37.65720 22.10000 C - 35.12804 38.54970 22.10000 C - 32.73564 38.21040 22.10000 C - 36.15772 38.15199 22.10000 H - 32.25880 35.70302 22.10000 H - 31.85155 37.54605 22.10000 H - 35.24364 35.94524 22.10000 H - 44.66077 28.77194 22.10000 O - 42.06175 28.28300 22.10000 N - 44.85892 27.51453 22.10000 C - 43.74026 26.55401 22.10000 C - 42.42671 26.99923 22.10000 C - 40.79726 28.77291 22.10000 C - 40.56900 30.16256 22.10000 C - 39.66664 27.92104 22.10000 C - 41.42827 30.85543 22.10000 H - 41.59969 26.25440 22.10000 H - 39.79995 26.82323 22.10000 H - 42.88234 28.96044 22.10000 H - 31.24717 33.52924 22.10000 O - 30.37109 31.03397 22.10000 N - 32.43519 33.07214 22.10000 C - 32.70767 31.62311 22.10000 C - 31.66535 30.70814 22.10000 C - 29.31457 30.18385 22.10000 C - 27.99696 30.68099 22.10000 C - 29.48701 28.77877 22.10000 C - 27.82655 31.77157 22.10000 H - 31.89689 29.61951 22.10000 H - 30.50440 28.34531 22.10000 H - 30.19470 32.08333 22.10000 H - 42.97640 24.29139 22.10000 O - 44.69934 22.28506 22.10000 N - 43.96627 25.09170 22.10000 C - 44.90730 20.94503 22.10000 C - 43.81796 20.05248 22.10000 C - 42.78828 20.45023 22.10000 H - 43.70236 22.65698 22.10000 H - 23.00723 10.29620 25.50000 O - 25.60625 10.78513 25.50000 N - 22.80908 11.55360 25.50000 C - 23.92774 12.51413 25.50000 C - 25.24129 12.06895 25.50000 C - 26.87074 10.29522 25.50000 C - 27.09900 8.90558 25.50000 C - 28.00136 11.14714 25.50000 C - 26.23973 8.21271 25.50000 H - 26.06831 12.81378 25.50000 H - 27.86805 12.24495 25.50000 H - 24.78566 10.10770 25.50000 H - 36.42083 5.53890 25.50000 O - 37.29691 8.03417 25.50000 N - 35.23281 5.99599 25.50000 C - 34.96033 7.44502 25.50000 C - 36.00265 8.35999 25.50000 C - 38.35343 8.88428 25.50000 C - 39.67104 8.38714 25.50000 C - 38.18099 10.28936 25.50000 C - 39.84145 7.29656 25.50000 H - 35.77111 9.44862 25.50000 H - 37.16360 10.72282 25.50000 H - 37.47330 6.98480 25.50000 H - 24.69160 14.77675 25.50000 O - 22.96866 16.78308 25.50000 N - 23.70173 13.97644 25.50000 C - 22.76070 18.12311 25.50000 C - 23.85004 19.01562 25.50000 C - 24.87972 18.61790 25.50000 H - 23.96564 16.41115 25.50000 H - 33.38277 9.23785 25.50000 O - 30.78375 8.74891 25.50000 N - 33.58092 7.98045 25.50000 C - 32.46226 7.01996 25.50000 C - 31.14871 7.46514 25.50000 C - 29.51926 9.23883 25.50000 C - 29.29100 10.62847 25.50000 C - 28.38864 8.38695 25.50000 C - 30.15027 11.32134 25.50000 H - 30.32169 6.72031 25.50000 H - 28.52195 7.28914 25.50000 H - 31.60434 9.42635 25.50000 H - 31.69840 4.75734 25.50000 O - 33.42134 2.75097 25.50000 N - 32.68827 5.55765 25.50000 C - 34.07941 5.06910 25.50000 C - 34.35065 3.70891 25.50000 C - 33.62930 1.41094 25.50000 C - 32.53996 0.51843 25.50000 C - 34.93236 0.85774 25.50000 C - 31.51028 0.91614 25.50000 H - 35.40920 3.36512 25.50000 H - 35.81645 1.52209 25.50000 H - 32.42436 3.12290 25.50000 H - 44.86659 14.46498 25.50000 C - 44.59535 15.82513 25.50000 C - 44.01364 18.67631 25.50000 C - 43.53680 16.16893 25.50000 H - 43.12955 18.01196 25.50000 H - 42.52517 13.99519 25.50000 O - 41.64909 11.49988 25.50000 N - 43.71319 13.53810 25.50000 C - 43.98567 12.08907 25.50000 C - 42.94335 11.17406 25.50000 C - 40.59257 10.64976 25.50000 C - 39.27496 11.14690 25.50000 C - 40.76501 9.24469 25.50000 C - 39.10455 12.23752 25.50000 H - 43.17489 10.08543 25.50000 H - 41.78240 8.81123 25.50000 H - 41.47270 12.54929 25.50000 H - 25.14283 25.07294 25.50000 O - 26.01891 27.56825 25.50000 N - 23.95481 25.53004 25.50000 C - 23.68233 26.97911 25.50000 C - 24.72465 27.89408 25.50000 C - 27.07543 28.41837 25.50000 C - 28.39304 27.92123 25.50000 C - 26.90299 29.82345 25.50000 C - 28.56345 26.83061 25.50000 H - 24.49311 28.98271 25.50000 H - 25.88560 30.25691 25.50000 H - 26.19530 26.51889 25.50000 H - 22.80141 24.60315 25.50000 C - 23.07265 23.24300 25.50000 C - 23.65436 20.39182 25.50000 C - 24.13120 22.89920 25.50000 H - 24.53845 21.05617 25.50000 H - 34.28523 29.83029 25.50000 O - 36.88425 30.31922 25.50000 N - 34.08708 31.08769 25.50000 C - 35.20574 32.04817 25.50000 C - 36.51929 31.60299 25.50000 C - 38.14874 29.82931 25.50000 C - 38.37700 28.43966 25.50000 C - 39.27936 30.68119 25.50000 C - 37.51773 27.74679 25.50000 H - 37.34631 32.34782 25.50000 H - 39.14605 31.77900 25.50000 H - 36.06366 29.64178 25.50000 H - 35.96960 34.31079 25.50000 O - 34.24666 36.31717 25.50000 N - 34.97973 33.51049 25.50000 C - 33.58859 33.99903 25.50000 C - 33.31735 35.35922 25.50000 C - 34.03870 37.65720 25.50000 C - 35.12804 38.54970 25.50000 C - 32.73564 38.21040 25.50000 C - 36.15772 38.15199 25.50000 H - 32.25880 35.70302 25.50000 H - 31.85155 37.54605 25.50000 H - 35.24364 35.94524 25.50000 H - 44.66077 28.77194 25.50000 O - 42.06175 28.28300 25.50000 N - 44.85892 27.51453 25.50000 C - 43.74026 26.55401 25.50000 C - 42.42671 26.99923 25.50000 C - 40.79726 28.77291 25.50000 C - 40.56900 30.16256 25.50000 C - 39.66664 27.92104 25.50000 C - 41.42827 30.85543 25.50000 H - 41.59969 26.25440 25.50000 H - 39.79995 26.82323 25.50000 H - 42.88234 28.96044 25.50000 H - 31.24717 33.52924 25.50000 O - 30.37109 31.03397 25.50000 N - 32.43519 33.07214 25.50000 C - 32.70767 31.62311 25.50000 C - 31.66535 30.70814 25.50000 C - 29.31457 30.18385 25.50000 C - 27.99696 30.68099 25.50000 C - 29.48701 28.77877 25.50000 C - 27.82655 31.77157 25.50000 H - 31.89689 29.61951 25.50000 H - 30.50440 28.34531 25.50000 H - 30.19470 32.08333 25.50000 H - 42.97640 24.29139 25.50000 O - 44.69934 22.28506 25.50000 N - 43.96627 25.09170 25.50000 C - 44.90730 20.94503 25.50000 C - 43.81796 20.05248 25.50000 C - 42.78828 20.45023 25.50000 H - 43.70236 22.65698 25.50000 H - 23.00723 10.29620 28.90000 O - 25.60625 10.78513 28.90000 N - 22.80908 11.55360 28.90000 C - 23.92774 12.51413 28.90000 C - 25.24129 12.06895 28.90000 C - 26.87074 10.29522 28.90000 C - 27.09900 8.90558 28.90000 C - 28.00136 11.14714 28.90000 C - 26.23973 8.21271 28.90000 H - 26.06831 12.81378 28.90000 H - 27.86805 12.24495 28.90000 H - 24.78566 10.10770 28.90000 H - 36.42083 5.53890 28.90000 O - 37.29691 8.03417 28.90000 N - 35.23281 5.99599 28.90000 C - 34.96033 7.44502 28.90000 C - 36.00265 8.35999 28.90000 C - 38.35343 8.88428 28.90000 C - 39.67104 8.38714 28.90000 C - 38.18099 10.28936 28.90000 C - 39.84145 7.29656 28.90000 H - 35.77111 9.44862 28.90000 H - 37.16360 10.72282 28.90000 H - 37.47330 6.98480 28.90000 H - 24.69160 14.77675 28.90000 O - 22.96866 16.78308 28.90000 N - 23.70173 13.97644 28.90000 C - 22.76070 18.12311 28.90000 C - 23.85004 19.01562 28.90000 C - 24.87972 18.61790 28.90000 H - 23.96564 16.41115 28.90000 H - 33.38277 9.23785 28.90000 O - 30.78375 8.74891 28.90000 N - 33.58092 7.98045 28.90000 C - 32.46226 7.01996 28.90000 C - 31.14871 7.46514 28.90000 C - 29.51926 9.23883 28.90000 C - 29.29100 10.62847 28.90000 C - 28.38864 8.38695 28.90000 C - 30.15027 11.32134 28.90000 H - 30.32169 6.72031 28.90000 H - 28.52195 7.28914 28.90000 H - 31.60434 9.42635 28.90000 H - 31.69840 4.75734 28.90000 O - 33.42134 2.75097 28.90000 N - 32.68827 5.55765 28.90000 C - 34.07941 5.06910 28.90000 C - 34.35065 3.70891 28.90000 C - 33.62930 1.41094 28.90000 C - 32.53996 0.51843 28.90000 C - 34.93236 0.85774 28.90000 C - 31.51028 0.91614 28.90000 H - 35.40920 3.36512 28.90000 H - 35.81645 1.52209 28.90000 H - 32.42436 3.12290 28.90000 H - 44.86659 14.46498 28.90000 C - 44.59535 15.82513 28.90000 C - 44.01364 18.67631 28.90000 C - 43.53680 16.16893 28.90000 H - 43.12955 18.01196 28.90000 H - 42.52517 13.99519 28.90000 O - 41.64909 11.49988 28.90000 N - 43.71319 13.53810 28.90000 C - 43.98567 12.08907 28.90000 C - 42.94335 11.17406 28.90000 C - 40.59257 10.64976 28.90000 C - 39.27496 11.14690 28.90000 C - 40.76501 9.24469 28.90000 C - 39.10455 12.23752 28.90000 H - 43.17489 10.08543 28.90000 H - 41.78240 8.81123 28.90000 H - 41.47270 12.54929 28.90000 H - 25.14283 25.07294 28.90000 O - 26.01891 27.56825 28.90000 N - 23.95481 25.53004 28.90000 C - 23.68233 26.97911 28.90000 C - 24.72465 27.89408 28.90000 C - 27.07543 28.41837 28.90000 C - 28.39304 27.92123 28.90000 C - 26.90299 29.82345 28.90000 C - 28.56345 26.83061 28.90000 H - 24.49311 28.98271 28.90000 H - 25.88560 30.25691 28.90000 H - 26.19530 26.51889 28.90000 H - 22.80141 24.60315 28.90000 C - 23.07265 23.24300 28.90000 C - 23.65436 20.39182 28.90000 C - 24.13120 22.89920 28.90000 H - 24.53845 21.05617 28.90000 H - 34.28523 29.83029 28.90000 O - 36.88425 30.31922 28.90000 N - 34.08708 31.08769 28.90000 C - 35.20574 32.04817 28.90000 C - 36.51929 31.60299 28.90000 C - 38.14874 29.82931 28.90000 C - 38.37700 28.43966 28.90000 C - 39.27936 30.68119 28.90000 C - 37.51773 27.74679 28.90000 H - 37.34631 32.34782 28.90000 H - 39.14605 31.77900 28.90000 H - 36.06366 29.64178 28.90000 H - 35.96960 34.31079 28.90000 O - 34.24666 36.31717 28.90000 N - 34.97973 33.51049 28.90000 C - 33.58859 33.99903 28.90000 C - 33.31735 35.35922 28.90000 C - 34.03870 37.65720 28.90000 C - 35.12804 38.54970 28.90000 C - 32.73564 38.21040 28.90000 C - 36.15772 38.15199 28.90000 H - 32.25880 35.70302 28.90000 H - 31.85155 37.54605 28.90000 H - 35.24364 35.94524 28.90000 H - 44.66077 28.77194 28.90000 O - 42.06175 28.28300 28.90000 N - 44.85892 27.51453 28.90000 C - 43.74026 26.55401 28.90000 C - 42.42671 26.99923 28.90000 C - 40.79726 28.77291 28.90000 C - 40.56900 30.16256 28.90000 C - 39.66664 27.92104 28.90000 C - 41.42827 30.85543 28.90000 H - 41.59969 26.25440 28.90000 H - 39.79995 26.82323 28.90000 H - 42.88234 28.96044 28.90000 H - 31.24717 33.52924 28.90000 O - 30.37109 31.03397 28.90000 N - 32.43519 33.07214 28.90000 C - 32.70767 31.62311 28.90000 C - 31.66535 30.70814 28.90000 C - 29.31457 30.18385 28.90000 C - 27.99696 30.68099 28.90000 C - 29.48701 28.77877 28.90000 C - 27.82655 31.77157 28.90000 H - 31.89689 29.61951 28.90000 H - 30.50440 28.34531 28.90000 H - 30.19470 32.08333 28.90000 H - 42.97640 24.29139 28.90000 O - 44.69934 22.28506 28.90000 N - 43.96627 25.09170 28.90000 C - 44.90730 20.94503 28.90000 C - 43.81796 20.05248 28.90000 C - 42.78828 20.45023 28.90000 H - 43.70236 22.65698 28.90000 H diff --git a/examples/pcsaft/structure_parameters/ZIF-8.cif b/examples/pcsaft/structure_parameters/ZIF-8.cif deleted file mode 100644 index 9db298ede..000000000 --- a/examples/pcsaft/structure_parameters/ZIF-8.cif +++ /dev/null @@ -1,315 +0,0 @@ -data_ZIF-8 - -_audit_creation_method RASPA-1.0 -_audit_creation_date 2011-3-6 -_audit_author_name 'David Dubbeldam' - -_citation_author_name 'K.S. Park, Z. Ni, A.P. Cote, J.Y. Choi, R.D. Huang, F.J. Uribe-Romo, H.K. Chae, M. O’Keeffe, and O.M. Yaghi' -_citation_title 'Exceptional chemical and thermal stability of zeolitic imidazolate frameworks' -_citation_journal_abbrev 'P. Natl. Acad. Sci. USA' -_citation_journal_volume 103 -_citation_journal_number 27 -_citation_page_first 10186 -_citation_page_last 10191 -_citation_year 2006 - -_cell_length_a 16.991 -_cell_length_b 16.991 -_cell_length_c 16.991 -_cell_angle_alpha 90 -_cell_angle_beta 90 -_cell_angle_gamma 90 -_cell_volume 4905.2 - -_symmetry_cell_setting cubic -_symmetry_space_group_name_Hall 'P 1' -_symmetry_space_group_name_H-M 'P 1' -_symmetry_Int_Tables_number 1 - -_symmetry_equiv_pos_as_xyz 'x,y,z' - -loop_ -_atom_site_label -_atom_site_type_symbol -_atom_site_fract_x -_atom_site_fract_y -_atom_site_fract_z -_atom_site_charge -C1 C 0.37705 0.0079 0.62295 0 -C2 C 0.36851 0.89914 0.6875 0 -H2 H 0.3777 0.8589 0.7234 0 -C3 C 0.4061 0.0855 0.5939 0 -N1 N 0.40973 0.96832 0.68278 0 -Zn1 Zn 0.5 0 0.75 0 -C1 C 0.0079 0.62295 0.37705 0 -C2 C 0.89914 0.63149 0.3125 0 -H2 H 0.8589 0.6223 0.2766 0 -C3 C 0.0855 0.5939 0.4061 0 -N1 N 0.96832 0.59027 0.31722 0 -Zn1 Zn 0 0.5 0.25 0 -C1 C 0.62295 0.9921 0.62295 0 -C2 C 0.63149 0.10086 0.6875 0 -H2 H 0.6223 0.1411 0.7234 0 -C3 C 0.5939 0.9145 0.5939 0 -H3A H 0.5413 0.9202 0.5743 0 -H3B H 0.5942 0.8772 0.6364 0 -H3C H 0.6276 0.8961 0.5525 0 -N1 N 0.59027 0.03168 0.68278 0 -C1 C 0.9921 0.37705 0.37705 0 -C2 C 0.10086 0.36851 0.3125 0 -H2 H 0.1411 0.3777 0.2766 0 -C3 C 0.9145 0.4061 0.4061 0 -H3A H 0.9202 0.4587 0.4257 0 -H3B H 0.8772 0.4058 0.3636 0 -H3C H 0.8961 0.3724 0.4475 0 -N1 N 0.03168 0.40973 0.31722 0 -C1 C 0.37705 0.9921 0.37705 0 -C2 C 0.36851 0.10086 0.3125 0 -H2 H 0.3777 0.1411 0.2766 0 -C3 C 0.4061 0.9145 0.4061 0 -N1 N 0.40973 0.03168 0.31722 0 -Zn1 Zn 0.5 0 0.25 0 -C1 C 0.9921 0.62295 0.62295 0 -C2 C 0.10086 0.63149 0.6875 0 -H2 H 0.1411 0.6223 0.7234 0 -C3 C 0.9145 0.5939 0.5939 0 -N1 N 0.03168 0.59027 0.68278 0 -Zn1 Zn 0 0.5 0.75 0 -C1 C 0.62295 0.0079 0.37705 0 -C2 C 0.63149 0.89914 0.3125 0 -H2 H 0.6223 0.8589 0.2766 0 -C3 C 0.5939 0.0855 0.4061 0 -H3A H 0.5413 0.0798 0.4257 0 -H3B H 0.5942 0.1228 0.3636 0 -H3C H 0.6276 0.1039 0.4475 0 -N1 N 0.59027 0.96832 0.31722 0 -C1 C 0.0079 0.37705 0.62295 0 -C2 C 0.89914 0.36851 0.6875 0 -H2 H 0.8589 0.3777 0.7234 0 -C3 C 0.0855 0.4061 0.5939 0 -H3A H 0.0798 0.4587 0.5743 0 -H3B H 0.1228 0.4058 0.6364 0 -H3C H 0.1039 0.3724 0.5525 0 -N1 N 0.96832 0.40973 0.68278 0 -C1 C 0.62295 0.37705 0.0079 0 -C2 C 0.6875 0.36851 0.89914 0 -H2 H 0.7234 0.3777 0.8589 0 -C3 C 0.5939 0.4061 0.0855 0 -N1 N 0.68278 0.40973 0.96832 0 -Zn1 Zn 0.75 0.5 0 0 -C1 C 0.37705 0.37705 0.9921 0 -C2 C 0.36851 0.3125 0.10086 0 -H2 H 0.3777 0.2766 0.1411 0 -C3 C 0.4061 0.4061 0.9145 0 -H3A H 0.4587 0.4257 0.9202 0 -H3B H 0.4058 0.3636 0.8772 0 -H3C H 0.3724 0.4475 0.8961 0 -N1 N 0.40973 0.31722 0.03168 0 -Zn1 Zn 0.5 0.25 0 0 -C1 C 0.37705 0.62295 0.0079 0 -C2 C 0.3125 0.63149 0.89914 0 -H2 H 0.2766 0.6223 0.8589 0 -C3 C 0.4061 0.5939 0.0855 0 -N1 N 0.31722 0.59027 0.96832 0 -Zn1 Zn 0.25 0.5 0 0 -C1 C 0.62295 0.62295 0.9921 0 -C2 C 0.63149 0.6875 0.10086 0 -H2 H 0.6223 0.7234 0.1411 0 -C3 C 0.5939 0.5939 0.9145 0 -H3A H 0.5413 0.5743 0.9202 0 -H3B H 0.5942 0.6364 0.8772 0 -H3C H 0.6276 0.5525 0.8961 0 -N1 N 0.59027 0.68278 0.03168 0 -Zn1 Zn 0.5 0.75 0 0 -C2 C 0.6875 0.63149 0.10086 0 -H2 H 0.7234 0.6223 0.1411 0 -N1 N 0.68278 0.59027 0.03168 0 -C2 C 0.63149 0.3125 0.89914 0 -H2 H 0.6223 0.2766 0.8589 0 -H3A H 0.5413 0.4257 0.0798 0 -H3B H 0.5942 0.3636 0.1228 0 -H3C H 0.6276 0.4475 0.1039 0 -N1 N 0.59027 0.31722 0.96832 0 -C2 C 0.3125 0.36851 0.10086 0 -H2 H 0.2766 0.3777 0.1411 0 -N1 N 0.31722 0.40973 0.03168 0 -C2 C 0.36851 0.6875 0.89914 0 -H2 H 0.3777 0.7234 0.8589 0 -H3A H 0.4587 0.5743 0.0798 0 -H3B H 0.4058 0.6364 0.1228 0 -H3C H 0.3724 0.5525 0.1039 0 -N1 N 0.40973 0.68278 0.96832 0 -C2 C 0.89914 0.6875 0.36851 0 -H2 H 0.8589 0.7234 0.3777 0 -H3A H 0.0798 0.5743 0.4587 0 -H3B H 0.1228 0.6364 0.4058 0 -H3C H 0.1039 0.5525 0.3724 0 -N1 N 0.96832 0.68278 0.40973 0 -Zn1 Zn 0 0.75 0.5 0 -C2 C 0.89914 0.3125 0.63149 0 -H2 H 0.8589 0.2766 0.6223 0 -N1 N 0.96832 0.31722 0.59027 0 -Zn1 Zn 0 0.25 0.5 0 -C2 C 0.3125 0.10086 0.36851 0 -H2 H 0.2766 0.1411 0.3777 0 -H3A H 0.4257 0.9202 0.4587 0 -H3B H 0.3636 0.8772 0.4058 0 -H3C H 0.4475 0.8961 0.3724 0 -N1 N 0.31722 0.03168 0.40973 0 -Zn1 Zn 0.25 0 0.5 0 -C2 C 0.10086 0.6875 0.63149 0 -H2 H 0.1411 0.7234 0.6223 0 -H3A H 0.9202 0.5743 0.5413 0 -H3B H 0.8772 0.6364 0.5942 0 -H3C H 0.8961 0.5525 0.6276 0 -N1 N 0.03168 0.68278 0.59027 0 -C2 C 0.6875 0.89914 0.36851 0 -H2 H 0.7234 0.8589 0.3777 0 -N1 N 0.68278 0.96832 0.40973 0 -Zn1 Zn 0.75 0 0.5 0 -C2 C 0.10086 0.3125 0.36851 0 -H2 H 0.1411 0.2766 0.3777 0 -N1 N 0.03168 0.31722 0.40973 0 -C2 C 0.3125 0.89914 0.63149 0 -H2 H 0.2766 0.8589 0.6223 0 -H3A H 0.4257 0.0798 0.5413 0 -H3B H 0.3636 0.1228 0.5942 0 -H3C H 0.4475 0.1039 0.6276 0 -N1 N 0.31722 0.96832 0.59027 0 -C2 C 0.6875 0.10086 0.63149 0 -H2 H 0.7234 0.1411 0.6223 0 -N1 N 0.68278 0.03168 0.59027 0 -C1 C 0.87705 0.5079 0.12295 0 -C2 C 0.86851 0.39914 0.1875 0 -H2 H 0.8777 0.3589 0.2234 0 -C3 C 0.9061 0.5855 0.0939 0 -H3A H 0.9587 0.5798 0.0743 0 -H3B H 0.9058 0.6228 0.1364 0 -H3C H 0.8724 0.6039 0.0525 0 -N1 N 0.90973 0.46832 0.18278 0 -C1 C 0.5079 0.12295 0.87705 0 -C2 C 0.39914 0.13149 0.8125 0 -H2 H 0.3589 0.1223 0.7766 0 -C3 C 0.5855 0.0939 0.9061 0 -N1 N 0.46832 0.09027 0.81722 0 -C1 C 0.12295 0.4921 0.12295 0 -C2 C 0.13149 0.60086 0.1875 0 -H2 H 0.1223 0.6411 0.2234 0 -C3 C 0.0939 0.4145 0.0939 0 -H3A H 0.0413 0.4202 0.0743 0 -H3B H 0.0942 0.3772 0.1364 0 -H3C H 0.1276 0.3961 0.0525 0 -N1 N 0.09027 0.53168 0.18278 0 -C1 C 0.4921 0.87705 0.87705 0 -C2 C 0.60086 0.86851 0.8125 0 -H2 H 0.6411 0.8777 0.7766 0 -C3 C 0.4145 0.9061 0.9061 0 -H3A H 0.4202 0.9587 0.9257 0 -H3B H 0.3772 0.9058 0.8636 0 -H3C H 0.3961 0.8724 0.9475 0 -N1 N 0.53168 0.90973 0.81722 0 -C1 C 0.87705 0.4921 0.87705 0 -C2 C 0.86851 0.60086 0.8125 0 -H2 H 0.8777 0.6411 0.7766 0 -C3 C 0.9061 0.4145 0.9061 0 -H3A H 0.9587 0.4202 0.9257 0 -H3B H 0.9058 0.3772 0.8636 0 -H3C H 0.8724 0.3961 0.9475 0 -N1 N 0.90973 0.53168 0.81722 0 -C1 C 0.4921 0.12295 0.12295 0 -C2 C 0.60086 0.13149 0.1875 0 -H2 H 0.6411 0.1223 0.2234 0 -C3 C 0.4145 0.0939 0.0939 0 -N1 N 0.53168 0.09027 0.18278 0 -C1 C 0.12295 0.5079 0.87705 0 -C2 C 0.13149 0.39914 0.8125 0 -H2 H 0.1223 0.3589 0.7766 0 -C3 C 0.0939 0.5855 0.9061 0 -N1 N 0.09027 0.46832 0.81722 0 -C1 C 0.5079 0.87705 0.12295 0 -C2 C 0.39914 0.86851 0.1875 0 -H2 H 0.3589 0.8777 0.2234 0 -C3 C 0.5855 0.9061 0.0939 0 -N1 N 0.46832 0.90973 0.18278 0 -C1 C 0.12295 0.87705 0.5079 0 -C2 C 0.1875 0.86851 0.39914 0 -H2 H 0.2234 0.8777 0.3589 0 -C3 C 0.0939 0.9061 0.5855 0 -N1 N 0.18278 0.90973 0.46832 0 -C1 C 0.87705 0.87705 0.4921 0 -C2 C 0.86851 0.8125 0.60086 0 -H2 H 0.8777 0.7766 0.6411 0 -C3 C 0.9061 0.9061 0.4145 0 -H3A H 0.9587 0.9257 0.4202 0 -H3B H 0.9058 0.8636 0.3772 0 -H3C H 0.8724 0.9475 0.3961 0 -N1 N 0.90973 0.81722 0.53168 0 -C1 C 0.87705 0.12295 0.5079 0 -C2 C 0.8125 0.13149 0.39914 0 -H2 H 0.7766 0.1223 0.3589 0 -C3 C 0.9061 0.0939 0.5855 0 -N1 N 0.81722 0.09027 0.46832 0 -C1 C 0.12295 0.12295 0.4921 0 -C2 C 0.13149 0.1875 0.60086 0 -H2 H 0.1223 0.2234 0.6411 0 -C3 C 0.0939 0.0939 0.4145 0 -H3A H 0.0413 0.0743 0.4202 0 -H3B H 0.0942 0.1364 0.3772 0 -H3C H 0.1276 0.0525 0.3961 0 -N1 N 0.09027 0.18278 0.53168 0 -C2 C 0.1875 0.13149 0.60086 0 -H2 H 0.2234 0.1223 0.6411 0 -N1 N 0.18278 0.09027 0.53168 0 -C2 C 0.13149 0.8125 0.39914 0 -H2 H 0.1223 0.7766 0.3589 0 -H3A H 0.0413 0.9257 0.5798 0 -H3B H 0.0942 0.8636 0.6228 0 -H3C H 0.1276 0.9475 0.6039 0 -N1 N 0.09027 0.81722 0.46832 0 -C2 C 0.8125 0.86851 0.60086 0 -H2 H 0.7766 0.8777 0.6411 0 -N1 N 0.81722 0.90973 0.53168 0 -C2 C 0.86851 0.1875 0.39914 0 -H2 H 0.8777 0.2234 0.3589 0 -H3A H 0.9587 0.0743 0.5798 0 -H3B H 0.9058 0.1364 0.6228 0 -H3C H 0.8724 0.0525 0.6039 0 -N1 N 0.90973 0.18278 0.46832 0 -C2 C 0.39914 0.1875 0.86851 0 -H2 H 0.3589 0.2234 0.8777 0 -H3A H 0.5798 0.0743 0.9587 0 -H3B H 0.6228 0.1364 0.9058 0 -H3C H 0.6039 0.0525 0.8724 0 -N1 N 0.46832 0.18278 0.90973 0 -C2 C 0.39914 0.8125 0.13149 0 -H2 H 0.3589 0.7766 0.1223 0 -H3A H 0.5798 0.9257 0.0413 0 -H3B H 0.6228 0.8636 0.0942 0 -H3C H 0.6039 0.9475 0.1276 0 -N1 N 0.46832 0.81722 0.09027 0 -C2 C 0.8125 0.60086 0.86851 0 -H2 H 0.7766 0.6411 0.8777 0 -N1 N 0.81722 0.53168 0.90973 0 -C2 C 0.60086 0.1875 0.13149 0 -H2 H 0.6411 0.2234 0.1223 0 -H3A H 0.4202 0.0743 0.0413 0 -H3B H 0.3772 0.1364 0.0942 0 -H3C H 0.3961 0.0525 0.1276 0 -N1 N 0.53168 0.18278 0.09027 0 -C2 C 0.1875 0.39914 0.86851 0 -H2 H 0.2234 0.3589 0.8777 0 -H3A H 0.0743 0.5798 0.9587 0 -H3B H 0.1364 0.6228 0.9058 0 -H3C H 0.0525 0.6039 0.8724 0 -N1 N 0.18278 0.46832 0.90973 0 -C2 C 0.60086 0.8125 0.86851 0 -H2 H 0.6411 0.7766 0.8777 0 -N1 N 0.53168 0.81722 0.90973 0 -C2 C 0.8125 0.39914 0.13149 0 -H2 H 0.7766 0.3589 0.1223 0 -N1 N 0.81722 0.46832 0.09027 0 -C2 C 0.1875 0.60086 0.13149 0 -H2 H 0.2234 0.6411 0.1223 0 -N1 N 0.18278 0.53168 0.09027 0 - - diff --git a/examples/pcsaft/structure_parameters/noble_gases.json b/examples/pcsaft/structure_parameters/noble_gases.json deleted file mode 100644 index b2ae99444..000000000 --- a/examples/pcsaft/structure_parameters/noble_gases.json +++ /dev/null @@ -1,50 +0,0 @@ -[ - { - "identifier": { - "cas": "7440-37-1", - "name": "argon", - "iupac_name": "argon", - "smiles": "[Ar]", - "inchi": "InChI=1/Ar", - "formula": "Ar" - }, - "model_record": { - "m": 1.0, - "sigma": 3.4050, - "epsilon_k": 119.8 - }, - "molarweight": 39.948 - }, - { - "identifier": { - "cas": "7439-90-9", - "name": "krypton", - "iupac_name": "krypton", - "smiles": "[Kr]", - "inchi": "InChI=1S/Kr", - "formula": "Kr" - }, - "model_record": { - "m": 1.0, - "sigma": 3.6300, - "epsilon_k": 163.10 - }, - "molarweight": 83.798 - }, - { - "identifier": { - "cas": "7440-63-3", - "name": "xenon", - "iupac_name": "xenon", - "smiles": "[Xe]", - "inchi": "InChI=1/Xe", - "formula": "Xe" - }, - "model_record": { - "m": 1.0, - "sigma": 3.93143, - "epsilon_k": 227.749 - }, - "molarweight": 131.3 - } -] diff --git a/examples/pcsaft/structure_parameters/solid_database.json b/examples/pcsaft/structure_parameters/solid_database.json deleted file mode 100755 index 8318b7cd6..000000000 --- a/examples/pcsaft/structure_parameters/solid_database.json +++ /dev/null @@ -1,42 +0,0 @@ -[ - { - "Name": "Dha", - "N_atom": 1760, - "Dimensions": { - "Lx": 32.0, - "Ly": 40.0276, - "Lz": 32.5903 - }, - "Forcefield": "DREIDING" - }, - { - "Name": "TpPA", - "N_atom": 2592, - "Dimensions": { - "Lx": 45.11200, - "Ly": 39.06794, - "Lz": 30.60000 - }, - "Forcefield": "DREIDING" - }, - { - "Name": "MFI", - "N_atom": 3456, - "Dimensions": { - "Lx": 40.18000, - "Ly": 39.47600, - "Lz": 39.42600 - }, - "Forcefield": "PASCUAL" - }, - { - "Name": "LTA", - "N_atom": 4608, - "Dimensions": { - "Lx": 47.67600, - "Ly": 47.67600, - "Lz": 47.67600 - }, - "Forcefield": "PASCUAL" - } -] diff --git a/examples/pets_eos_binary_caseI.ipynb b/examples/pets_eos_binary_caseI.ipynb deleted file mode 100644 index 0ecf84e4c..000000000 --- a/examples/pets_eos_binary_caseI.ipynb +++ /dev/null @@ -1,285 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# PeTS Equation of State - Binary Mixture (Pseudo Pure Fluid)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Original publication of the _perturbation theory for truncated and shifted Lennard-Jones fluids_ (PeTS) of M. Heier, S. Stephan, J. Liu, W.G. Chapman, H. Hasse, K. Langenbach, Mol. Phys. **116**, 2083 (2018);\n", - "https://doi.org/10.1080/00268976.2018.1447153" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "metadata": {}, - "outputs": [], - "source": [ - "import numpy as np\n", - "import feos\n", - "import matplotlib.pyplot as plt\n", - "import pandas as pd\n", - "import si_units as si" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Specifying PeTS Parameters" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": {}, - "outputs": [], - "source": [ - "epsilon_k = 1.0 * si.KELVIN\n", - "sigma = 1.0 * si.ANGSTROM" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Definition of Reference Data\n", - "\n", - "The molecular simulation reference data is taken from J. Vrabec, G.K. Kedia, G. Fuchs, H. Hasse, Mol. Phys. **104**, 1509 (2006);\n", - "https://doi.org/10.1080/00268970600556774\n", - "\n", - "Critical point reference data is taken from the original publication of M. Heier, S. Stephan, J. Liu, W.G. Chapman, Mol. Phys. **116**, 2083 (2018);\n", - "https://doi.org/10.1080/00268976.2018.1447153" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": {}, - "outputs": [], - "source": [ - "# Data from Vrabec et al. (2006)\n", - "data = np.array([\n", - " [0.64, 0.00217, 0.8176, 0.00351, 5.7118],\n", - " [0.67, 0.00335, 0.8024, 0.00525, 5.5910],\n", - " [0.70, 0.00479, 0.7866, 0.00727, 5.4666],\n", - " [0.73, 0.00697, 0.7704, 0.01036, 5.325 ],\n", - " [0.76, 0.00944, 0.7538, 0.01374, 5.179 ],\n", - " [0.79, 0.01241, 0.7361, 0.01776, 5.022 ],\n", - " [0.82, 0.01640, 0.7181, 0.0233, 4.844 ],\n", - " [0.85, 0.0214, 0.6986, 0.0303, 4.639 ],\n", - " [0.88, 0.0274, 0.6784, 0.0392, 4.413 ],\n", - " [0.91, 0.0336, 0.6556, 0.0483, 4.172 ],\n", - " [0.94, 0.0417, 0.6309, 0.0616, 3.87 ],\n", - " [0.97, 0.0504, 0.6032, 0.0763, 3.56 ],\n", - " [1.00, 0.0606, 0.5712, 0.0960, 3.18 ],\n", - " [1.03, 0.0730, 0.530, 0.127, 2.63 ],\n", - " [1.06, 0.0855, 0.463, 0.168, 1.88 ]]\n", - ")\n", - "\n", - "df = pd.DataFrame(data, columns=['T*', 'p*', 'rho^L*', 'rho^V*', 'Delta^LV h*'])\n", - "\n", - "# Critical point data extracted from Heier et al. (2018), figure 1; unclear origin\n", - "T_c = 1.0850094876660341\n", - "p_c = 0.10073800738007378\n", - "rho_c = 0.3194085027726432\n", - "\n", - "# Critical point data extracted from Vrabec et al. (2018)\n", - "T_c_vrabec = 1.0779\n", - "p_c_vrabec = np.exp(3.1664 - 5.9809 / T_c_vrabec + 0.01498 / T_c_vrabec**3)\n", - "rho_c_vrabec = 0.3190\n", - "\n", - "# Critical point data extracted from Heier et al. (2018), figure 1; critical point of original PeTS implementation\n", - "T_c_pets_heier = 1.0884250474383301\n", - "p_c_pets_heier = 0.10184501845018448\n", - "rho_c_pets_heier = 0.3077634011090573" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Definition of PeTS Equation of State" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": {}, - "outputs": [], - "source": [ - "record = feos.PureRecord(feos.Identifier(), 0, epsilon_k=epsilon_k/si.KELVIN, sigma=sigma/si.ANGSTROM)\n", - "pets = feos.EquationOfState.pets(feos.Parameters.new_binary([record]*2))" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": {}, - "outputs": [], - "source": [ - "cp = feos.State.critical_point_pure(eos=pets)\n", - "\n", - "T_c_pets = cp[0].temperature\n", - "p_c_pets = cp[0].pressure()\n", - "rho_c_pets = cp[0].density\n", - "\n", - "T_c_pets_red = cp[0].temperature / epsilon_k" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Phase Diagram of Pseudo Pure Fluid (Binary Mixture of the Same Component)" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [], - "source": [ - "temps = np.linspace(0.64, 0.975*T_c_pets_red, 1001) # PhaseEquilibrium.bubble_point_tx() not converging to two phases close to critical point\n", - "p_sat = np.zeros(temps.shape)\n", - "rho_sat = np.zeros([temps.shape[0], 2])\n", - "pressure_ic = None\n", - "\n", - "for i, temperature in enumerate(np.nditer(temps)):\n", - " pe = feos.PhaseEquilibrium.bubble_point(eos=pets, temperature_or_pressure=temperature * epsilon_k, liquid_molefracs=np.array([0.5, 0.5]), tp_init=pressure_ic, tol_inner=1e-7)\n", - " p_sat[i] = pe.liquid.pressure() / (epsilon_k * si.KB / sigma**3)\n", - " rho_sat[i, 0] = pe.vapor.density * (si.NAV * sigma**3)\n", - " rho_sat[i, 1] = pe.liquid.density * (si.NAV * sigma**3)\n", - "\n", - " pressure_ic = pe.vapor.pressure() * 1.03" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots(1,2, figsize=(14,5))\n", - "\n", - "ax[0].plot(temps, p_sat, color='tab:blue', label='this PeTS implementation')\n", - "ax[0].scatter(df['T*'], df['p*'], marker='s', color='tab:orange', label='simulation data Vrabec et al. (2006)')\n", - "ax[0].scatter(T_c_vrabec, p_c_vrabec, marker='o', color='tab:orange', label='critical point Vrabec et al. (2018)')\n", - "ax[0].scatter(T_c, p_c, marker='o', color='tab:red', label='critical point Heier et al. (2018); unclear origin')\n", - "ax[0].scatter(T_c_pets_heier, p_c_pets_heier, marker='o', color='tab:green', label='critical point PeTS Heier et al. (2018)')\n", - "ax[0].scatter(T_c_pets/epsilon_k, p_c_pets/(epsilon_k * si.KB / sigma**3), marker='x', color='tab:red', label='critical point this PeTS implementation')\n", - "ax[0].set_title('Vapor-Liquid Coexistence - Vapor Pressure')\n", - "ax[0].set_xlabel(r'$T* = \\frac{T}{\\frac{\\epsilon}{k_\\mathrm{B}}}$')\n", - "ax[0].set_ylabel(r'$p* = \\frac{p}{\\frac{\\epsilon}{\\sigma^3}}$')\n", - "ax[0].set_xlim(0.6, 1.2)\n", - "ax[0].set_ylim(0.0, 0.11)\n", - "ax[0].legend(loc='upper left')\n", - "ax[0].grid()\n", - "\n", - "ax[1].plot(temps, rho_sat[:,0], color='tab:blue', label='this PeTS implementation')\n", - "ax[1].plot(temps, rho_sat[:,1], color='tab:blue')\n", - "ax[1].scatter(df['T*'], df['rho^L*'], marker='s', color='tab:orange', label='simulation data Vrabec et al. (2006)')\n", - "ax[1].scatter(df['T*'], df['rho^V*'], marker='s', color='tab:orange')\n", - "ax[1].scatter(T_c, rho_c, marker='o', color='tab:red', label='critical point Heier et al. (2018); unclear origin')\n", - "ax[1].scatter(T_c_vrabec, rho_c_vrabec, marker='o', color='tab:orange', label='critical point Vrabec et al. (2018)')\n", - "ax[1].scatter(T_c_pets_heier, rho_c_pets_heier, marker='o', color='tab:green', label='critical point PeTS Heier et al. (2018)')\n", - "ax[1].scatter(T_c_pets/epsilon_k, rho_c_pets*si.NAV*sigma**3, marker='x', color='tab:red', label='critical point this PeTS implementation')\n", - "ax[1].set_title('Vapor-Liquid Coexistence - Saturated Densities')\n", - "ax[1].set_xlabel(r'$T* = \\frac{T}{\\frac{\\epsilon}{k_\\mathrm{B}}}$')\n", - "ax[1].set_ylabel(r'$\\rho* = \\rho \\sigma^3$')\n", - "ax[1].set_xlim(0.6, 1.1)\n", - "ax[1].set_ylim(0.0, 0.9)\n", - "ax[1].legend(loc='center left')\n", - "ax[1].grid()" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Binary Phase Diagram - Pressure-Composition of Pseudo Pure Fluid (Binary Mixture of the Same Component)" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": {}, - "outputs": [], - "source": [ - "dia_p = feos.PhaseDiagram.binary_vle(eos=pets, temperature_or_pressure=1*epsilon_k)" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "f, ax = plt.subplots(1, 2, figsize=(20,5))\n", - "ax[0].scatter(dia_p.liquid.molefracs[:,0], dia_p.liquid.pressure/(epsilon_k * si.KB / sigma**3), color='tab:red', marker='s')\n", - "ax[0].scatter(dia_p.vapor.molefracs[:,0], dia_p.vapor.pressure/(epsilon_k * si.KB / sigma**3), color='tab:blue', marker='x')\n", - "ax[0].set_xlim(0, 1)\n", - "ax[0].set_ylim(0, 0.15)\n", - "ax[0].set_xlabel(r'$x_1, x_2$')\n", - "ax[0].set_ylabel(r'$p* = \\frac{p}{\\frac{\\epsilon}{\\sigma^3}}$')\n", - "\n", - "\n", - "ax[1].plot([0, 1], [0, 1], color='black')\n", - "ax[1].scatter(dia_p.liquid.molefracs[:,0], dia_p.vapor.molefracs[:,0], color='tab:orange', marker='s')\n", - "ax[1].set_xlim(0, 1)\n", - "ax[1].set_ylim(0, 1)\n", - "ax[1].set_xlabel(r'$x_1$')\n", - "ax[1].set_ylabel(r'$y_1$');" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.13.5" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/saftvrmie/lafitte_critical_data.csv b/examples/saftvrmie/lafitte_critical_data.csv deleted file mode 100644 index 3bf44dc10..000000000 --- a/examples/saftvrmie/lafitte_critical_data.csv +++ /dev/null @@ -1,27 +0,0 @@ -substance,tc,pc,rhoc,tc_exp,pc_exp,rhoc_exp -methane,195.30,5.15,154.45,190.6,4.6,162.7 -ethane,311.38,5.49,205.84,305.3,4.9,206.6 -propane,376.20,4.77,219.98,369.8,4.2,220.5 -n-butane,432.68,4.27,228.04,425.1,3.8,228.0 -pentane,476.44,3.81,238.14,469.7,3.4,232.0 -hexane,515.29,3.44,241.16,507.8,3.0,233.2 -heptane,547.33,3.06,233.76,540.1,2.7,232.0 -octane,576.72,2.77,227.83,569.3,2.5,235.0 -nonane,602.20,2.52,224.89,594.6,2.3,232.1 -decane,626.37,2.31,219.85,617.7,2.1,233.3 -dodecane,668.75,1.99,214.26,658.2,1.8,221.4 -pentadecane,720.98,1.61,194.23,708.0,1.5,212.4 -eicosane,786.33,1.21,174.91,768.0,1.1,241.6 -methanol,547.73,12.21,260.59,512.6,8.1,328.4 -ethanol,554.41,8.83,247.96,514.0,6.3,276.4 -1-propanol,560.43,6.89,256.34,536.9,5.2,275.2 -1-butanol,583.97,5.50,253.86,562.0,4.5,270.5 -tetrafluoromethane [r14],232.77,4.14,644.29,227.5,3.8,625.6 -hexafluoroethane [r116],295.46,3.24,634.96,293.0,3.0,613.3 -perfluoropropane [r218],347.88,2.79,648.71,345.0,2.6,628.0 -perfluorobutane,386.86,2.38,635.61,386.3,2.3,599.8 -perfluoropentane,421.36,2.13,634.72,420.6,2.0,609.5 -fluorine,146.20,5.66,559.47,144.4,5.2,592.9 -carbon dioxide,307.00,7.86,472.15,304.1,7.4,467.6 -benzene,568.33,5.51,307.69,562.1,4.9,309.0 -toluene,600.25,4.73,301.21,591.8,4.1,292.0 diff --git a/examples/saftvrmie/validate_lafitte.ipynb b/examples/saftvrmie/validate_lafitte.ipynb deleted file mode 100644 index e5294ee62..000000000 --- a/examples/saftvrmie/validate_lafitte.ipynb +++ /dev/null @@ -1,1011 +0,0 @@ -{ - "cells": [ - { - "cell_type": "code", - "execution_count": 1, - "id": "6150a26e-767d-4735-ba5a-ee097684c917", - "metadata": {}, - "outputs": [], - "source": [ - "from feos import *\n", - "from feos.parameters import *\n", - "\n", - "import si_units as si\n", - "import numpy as np\n", - "import pandas as pd\n", - "import seaborn as sns\n", - "import matplotlib.pyplot as plt\n", - "\n", - "colors = sns.color_palette(\"Dark2\", 12)\n", - "sns.set_context(\"notebook\")\n", - "sns.set_style(\"ticks\")\n", - "sns.set_palette(\"Dark2\")" - ] - }, - { - "cell_type": "markdown", - "id": "f0309d4e-cc9b-460c-b9fa-96d3d005664e", - "metadata": {}, - "source": [ - "# Validation of SAFT-VR Mie implementation\n", - "\n", - "In this notebook, we reproduce some of the figures presented in the original [publication of Lafitte et al. (2013)](https://doi.org/10.1063/1.4819786)." - ] - }, - { - "cell_type": "markdown", - "id": "25674fe2-eb5c-474d-9943-81bc4a5615aa", - "metadata": {}, - "source": [ - "# Phase diagrams of LJ and Mie fluids without chain contribution" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "315609a2-a2c6-4ba4-bca0-b0ed1b0d4232", - "metadata": {}, - "outputs": [], - "source": [ - "exponents6 = [\n", - " (8, 6),\n", - " (10, 6),\n", - " (12, 6),\n", - " (15, 6),\n", - " (20, 6),\n", - " (36, 6)\n", - "]\n", - "\n", - "other_exponents = [\n", - " (12, 6),\n", - " (14, 7),\n", - " (18, 9),\n", - " (24, 12)\n", - "]\n", - "\n", - "def sample_exponents(exponents, npoints):\n", - " to_reduced_density = si.MOL / si.METER**3 * si.NAV * si.ANGSTROM**3\n", - " to_reduced_pressure = si.PASCAL * si.ANGSTROM**3 / si.KB / si.KELVIN\n", - " \n", - " result = {}\n", - " for (lr, la) in exponents:\n", - " record = PureRecord(Identifier(), 0, m=1.0, sigma=1.0, epsilon_k=1.0, lr=lr, la=la) \n", - " eos = EquationOfState.saftvrmie(Parameters.new_pure(record))\n", - " cp = State.critical_point(eos)\n", - " dia = PhaseDiagram.pure(eos, 0.3 * cp.temperature, npoints)\n", - " df = pd.DataFrame(dia.to_dict(Contributions.Residual))\n", - " df['density liquid'] *= to_reduced_density\n", - " df['density vapor'] *= to_reduced_density\n", - " df['pressure'] *= to_reduced_pressure\n", - " result.update({(lr, la): df})\n", - " return result" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "cd8fdba3-837c-48d2-b7c5-cb9e4cafbc74", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "CPU times: user 214 ms, sys: 3.95 ms, total: 218 ms\n", - "Wall time: 217 ms\n" - ] - } - ], - "source": [ - "%%time\n", - "diagrams6 = sample_exponents(exponents6, 250)\n", - "other_diagrams= sample_exponents(other_exponents, 250)" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "4e2f7f34-38ab-47d2-8273-862a264cbe72", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(2, 1, figsize=(6, 10))\n", - "\n", - "for i, (e, data) in enumerate(diagrams6.items()):\n", - " color = colors[i]\n", - " sns.lineplot(data=data, ax=ax[0], x='density vapor', y='temperature', color=color, label=f\"{e[0]}-{e[1]}\")\n", - " sns.lineplot(data=data, ax=ax[0], x='density liquid', y='temperature', color=color)\n", - "\n", - "ax[0].set_ylim(0.5, 2.0)\n", - "ax[0].set_xlim(0., 1.)\n", - "ax[0].legend(frameon=False);\n", - "ax[0].set_xlabel(r\"$\\rho^*$\")\n", - "ax[0].set_ylabel(r\"$T^*$\")\n", - "\n", - "for i, (e, data) in enumerate(other_diagrams.items()):\n", - " color = colors[i]\n", - " sns.lineplot(data=data, ax=ax[1], x='density vapor', y='temperature', color=color, label=f\"{e[0]}-{e[1]}\")\n", - " sns.lineplot(data=data, ax=ax[1], x='density liquid', y='temperature', color=color)\n", - "\n", - "ax[1].set_ylim(0.4, 1.4)\n", - "ax[1].set_xlim(0., 1.)\n", - "ax[1].set_xlabel(r\"$\\rho^*$\")\n", - "ax[1].set_ylabel(r\"$T^*$\")\n", - "ax[1].legend(frameon=False);" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "bb96f7f6-3906-4eee-a20c-176116e94bc3", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(1, 1)\n", - "for i, (e, data) in enumerate(diagrams6.items()):\n", - " color = colors[i]\n", - " sns.lineplot(data=data, ax=ax, y='pressure', x='temperature', color=color, label=f\"{e[0]}-{e[1]}\")\n", - "\n", - "ax.set_ylim(0.0, 0.2)\n", - "ax.set_xlim(0.4, 1.6)\n", - "ax.legend(frameon=False)\n", - "ax.set_ylabel(r\"$p^*$\")\n", - "ax.set_xlabel(r\"$T^*$\");" - ] - }, - { - "cell_type": "markdown", - "id": "292f8998-40f9-41d0-87b6-04c1d2911c72", - "metadata": {}, - "source": [ - "# Lennard-Jones chains" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "cfe21a10-e0a2-4528-8661-437af1b7a7dd", - "metadata": {}, - "outputs": [], - "source": [ - "def sample_chains(inputs, npoints):\n", - " \"\"\"Inputs: List[(m, lr, la)]\"\"\"\n", - " to_reduced_density = si.MOL / si.METER**3 * si.NAV * si.ANGSTROM**3\n", - " to_reduced_pressure = si.PASCAL * si.ANGSTROM**3 / si.KB / si.KELVIN\n", - " \n", - " result = {}\n", - " for (m, lr, la) in inputs:\n", - " record = PureRecord(Identifier(), 0, m=m, sigma=1.0, epsilon_k=1.0, lr=lr, la=la) \n", - " eos = EquationOfState.saftvrmie(Parameters.new_pure(record))\n", - " cp = State.critical_point(eos)\n", - " try:\n", - " dia = PhaseDiagram.pure(eos, 0.4 * cp.temperature, npoints)\n", - " df = pd.DataFrame(dia.to_dict(Contributions.Residual))\n", - " df['density liquid'] *= to_reduced_density * m\n", - " df['density vapor'] *= to_reduced_density * m\n", - " df['pressure'] *= to_reduced_pressure\n", - " except:\n", - " dia = PhaseDiagram.pure(eos, 0.8 * cp.temperature, npoints)\n", - " df = pd.DataFrame(dia.to_dict(Contributions.Residual))\n", - " df['density liquid'] *= to_reduced_density * m\n", - " df['density vapor'] *= to_reduced_density * m\n", - " df['pressure'] *= to_reduced_pressure\n", - " result.update({(m, lr, la): df})\n", - " return result" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "5702c6e7-0b80-4076-9517-7c21de635e58", - "metadata": {}, - "outputs": [], - "source": [ - "lj_chains_input = [\n", - " (1, 12, 6),\n", - " (2, 12, 6),\n", - " (4, 12, 6),\n", - " (8, 12, 6)\n", - "]" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "3f4ebcf7-2de0-482a-9a61-46c9b4186047", - "metadata": {}, - "outputs": [], - "source": [ - "lj_chains = sample_chains(lj_chains_input, 250)" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "id": "5e17281f-599d-47ca-b2e5-59d57fca2ccc", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(1, 1)\n", - "\n", - "for i, (e, data) in enumerate(lj_chains.items()):\n", - " color = colors[i]\n", - " sns.lineplot(data=data, ax=ax, x='density vapor', y='temperature', color=color, \n", - " label=f\"m: {e[0]} ({e[1]}-{e[2]})\")\n", - " sns.lineplot(data=data, ax=ax, x='density liquid', y='temperature', color=color)\n", - "\n", - "ax.set_ylim(1.0, 3.5)\n", - "ax.set_xlim(0., 1.)\n", - "ax.legend(frameon=False);\n", - "ax.set_xlabel(r\"$\\rho_s^*$\")\n", - "ax.set_ylabel(r\"$T^*$\");" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "id": "07134921-bba6-416e-9b95-1f5a3a6075c2", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(1, 1)\n", - "for i, (e, data) in enumerate(lj_chains.items()):\n", - " color = colors[i]\n", - " sns.lineplot(data=data, ax=ax, y='pressure', x='temperature', color=color, label=f\"m: {e[0]} ({e[1]}-{e[2]})\")\n", - "\n", - "ax.set_ylim(0.0, 0.16)\n", - "ax.set_xlim(0.5, 3.5)\n", - "ax.legend(frameon=False)\n", - "ax.set_ylabel(r\"$p^*$\")\n", - "ax.set_xlabel(r\"$T^*$\");" - ] - }, - { - "cell_type": "markdown", - "id": "4bda8be1-12a4-4e63-a0de-15e562aeec7d", - "metadata": {}, - "source": [ - "# Long LJ chains" - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "id": "19456823-3b5a-4e2d-8ddf-46f6fb13edd4", - "metadata": {}, - "outputs": [], - "source": [ - "lj_long_chains_input = [\n", - " (1, 12, 6),\n", - " (2, 12, 6),\n", - " (4, 12, 6),\n", - " (8, 12, 6),\n", - " (20, 12, 6),\n", - " (50, 12, 6),\n", - " (100, 12, 6)\n", - "]" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "id": "3b105a00-2c89-4703-abb4-f38e8be7d818", - "metadata": {}, - "outputs": [], - "source": [ - "lj_long_chains = sample_chains(lj_long_chains_input, 250)" - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "id": "4b468940-c7ec-439a-9c90-623c406214f3", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(1, 1)\n", - "\n", - "for i, (e, data) in enumerate(lj_long_chains.items()):\n", - " color = colors[i]\n", - " sns.lineplot(data=data, ax=ax, x='density vapor', y='temperature', color=color, \n", - " label=f\"m: {e[0]} ({e[1]}-{e[2]})\")\n", - " sns.lineplot(data=data, ax=ax, x='density liquid', y='temperature', color=color)\n", - "\n", - "ax.set_ylim(1.0, 4.5)\n", - "ax.set_xlim(0., 0.8)\n", - "ax.legend(frameon=False);\n", - "ax.set_xlabel(r\"$\\rho_s^*$\")\n", - "ax.set_ylabel(r\"$T^*$\");" - ] - }, - { - "cell_type": "code", - "execution_count": 14, - "id": "c5b5cfd0-8b9a-45b3-88f4-040a4fa9785c", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(1, 1)\n", - "for i, (e, data) in enumerate(lj_long_chains.items()):\n", - " color = colors[i]\n", - " sns.lineplot(data=data, ax=ax, y='pressure', x=1/data.temperature, color=color, label=f\"m: {e[0]} ({e[1]}-{e[2]})\")\n", - "\n", - "#ax.set_ylim(0.0, 0.16)\n", - "ax.set_xlim(0.2, 1.0)\n", - "ax.legend(frameon=False)\n", - "ax.set_yscale(\"log\")\n", - "ax.set_ylabel(r\"$\\ln p^*$\")\n", - "ax.set_xlabel(r\"$1 / T^*$\");" - ] - }, - { - "cell_type": "markdown", - "id": "0b86182c-bdff-4568-9c68-33cee035f69b", - "metadata": {}, - "source": [ - "# Associating LJ sites ($r^c_{ab} = 0.2 \\sigma$, $r^d_{ab} = 0.4 \\sigma$)\n", - "\n", - "- Note: $r^d_{ab} = 0.4 \\sigma$ is set as constant that cannot be changed." - ] - }, - { - "cell_type": "code", - "execution_count": 15, - "id": "aa55d6f2-11b3-472a-8e74-1cab14481306", - "metadata": {}, - "outputs": [], - "source": [ - "def sample_association(inputs, npoints):\n", - " \"\"\"Inputs: List[(lr, la, eps_k_ab)]\"\"\"\n", - " to_reduced_density = si.MOL / si.METER**3 * si.NAV * si.ANGSTROM**3\n", - " to_reduced_pressure = si.PASCAL * si.ANGSTROM**3 / si.KB / si.KELVIN\n", - " \n", - " result = {}\n", - " for (lr, la, eps_k_ab) in inputs:\n", - " record = PureRecord(Identifier(), 0, m=1.0, sigma=1.0, epsilon_k=1.0, lr=lr, la=la, association_sites=[{\"rc_ab\": 0.2, \"epsilon_k_ab\": eps_k_ab, \"na\": 1.0, \"nb\": 1.0}]) \n", - " eos = EquationOfState.saftvrmie(Parameters.new_pure(record))\n", - " cp = State.critical_point(eos)\n", - " dia = PhaseDiagram.pure(eos, 0.6 * cp.temperature, npoints)\n", - " df = pd.DataFrame(dia.to_dict(Contributions.Residual))\n", - " df['density liquid'] *= to_reduced_density\n", - " df['density vapor'] *= to_reduced_density\n", - " df['pressure'] *= to_reduced_pressure\n", - " result.update({(lr, la, eps_k_ab): df})\n", - " return result" - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "id": "af1c8e61-5a36-4747-9963-8e550934bca0", - "metadata": {}, - "outputs": [], - "source": [ - "assoc_inputs = [\n", - " (12, 6, 10),\n", - " (12, 6, 20),\n", - "]" - ] - }, - { - "cell_type": "code", - "execution_count": 17, - "id": "cac78d6c-9981-40cb-98e6-4f82ef01b59c", - "metadata": {}, - "outputs": [], - "source": [ - "lj_assoc = sample_association(assoc_inputs, 250)" - ] - }, - { - "cell_type": "code", - "execution_count": 18, - "id": "ada2deed-eb86-45ea-b32c-158343f65906", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "<>:6: SyntaxWarning: invalid escape sequence '\\e'\n", - "<>:6: SyntaxWarning: invalid escape sequence '\\e'\n", - "/tmp/ipykernel_996906/2770306470.py:6: SyntaxWarning: invalid escape sequence '\\e'\n", - " label=f\"$\\epsilon$: {e[2]} ({e[0]}-{e[1]})\")\n" - ] - }, - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(1, 1, figsize=(5,5))\n", - "\n", - "for i, (e, data) in enumerate(lj_assoc.items()):\n", - " color = colors[i]\n", - " sns.lineplot(data=data, ax=ax, x='density vapor', y='temperature', color=color, \n", - " label=f\"$\\epsilon$: {e[2]} ({e[0]}-{e[1]})\")\n", - " sns.lineplot(data=data, ax=ax, x='density liquid', y='temperature', color=color)\n", - "\n", - "ax.set_ylim(1.0, 1.8)\n", - "ax.set_xlim(0., 0.8)\n", - "ax.legend(frameon=False);\n", - "ax.set_xlabel(r\"$\\rho_s^*$\")\n", - "ax.set_ylabel(r\"$T^*$\");" - ] - }, - { - "cell_type": "markdown", - "id": "fc248c3c-40e4-4ae6-8744-4eecae1fd8e8", - "metadata": {}, - "source": [ - "# Compare critical data" - ] - }, - { - "cell_type": "code", - "execution_count": 19, - "id": "2a708b74-70bf-45fe-91bc-0c395f3f4506", - "metadata": {}, - "outputs": [], - "source": [ - "critical_data = pd.read_csv(\"lafitte_critical_data.csv\")\n", - "path = \"../../parameters/saftvrmie/lafitte2013.json\"\n", - "\n", - "result = [] \n", - "for _, row in critical_data.iterrows():\n", - " p = Parameters.from_json([row.substance], path)\n", - " eos = EquationOfState.saftvrmie(p)\n", - " cp = State.critical_point(eos)\n", - " try:\n", - " cp.is_stable()\n", - " except:\n", - " cp = State.critical_point(eos, initial_temperature=600*si.KELVIN)\n", - " cp.is_stable()\n", - " tc = row.tc * si.KELVIN\n", - " pc = row.pc * si.MEGA * si.PASCAL\n", - " rhoc = row.rhoc * si.KILOGRAM / si.METER**3\n", - " tce = row.tc_exp * si.KELVIN\n", - " pce = row.pc_exp * si.MEGA * si.PASCAL\n", - " rhoce = row.rhoc_exp * si.KILOGRAM / si.METER**3\n", - " result.append(\n", - " {\n", - " \"substance\": row.substance,\n", - " r\"$\\Delta T_c$ / %\": (tc - cp.temperature) / tc * 100,\n", - " r\"$\\Delta p_c$ / %\": (pc - cp.pressure()) / pc * 100,\n", - " r\"$\\Delta \\rho_c$ / %\": (rhoc - cp.mass_density()) / rhoc * 100,\n", - " #r\"$\\Delta T_c^\\text{exp}$ / %\": (tce - cp.temperature) / tc * 100,\n", - " #r\"$\\Delta p_c^\\text{exp}$ / %\": (pce - cp.pressure()) / pc * 100,\n", - " #r\"$\\Delta \\rho_c^\\text{exp}$ / %\": (rhoce - cp.mass_density()) / rhoc * 100,\n", - " }\n", - " )" - ] - }, - { - "cell_type": "code", - "execution_count": 20, - "id": "56134983-54f3-4cea-b48b-85f0cd257d92", - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "
\n", - "\n", - "\n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - "
substance$\\Delta T_c$ / %$\\Delta p_c$ / %$\\Delta \\rho_c$ / %
0methane0.0742350.3496240.408159
1ethane0.0636850.3030400.262340
2propane0.0546260.2187710.244391
3n-butane0.0493220.3226330.376631
4pentane0.0412640.3724200.452599
5hexane0.0325690.4257170.466502
6heptane0.0217990.2368020.516342
7octane0.0133820.3960970.520532
8nonane0.0098230.2047640.479280
9decane0.0060190.2362390.470530
10dodecane0.0013220.0714820.088943
11pentadecane0.0010820.2258680.086090
12eicosane0.000570-0.1604320.085698
13methanol0.1834070.0273260.047228
14ethanol0.0000550.0513590.056039
151-propanol0.0015040.0144850.063254
161-butanol0.001073-0.0068790.065317
17tetrafluoromethane [r14]-0.0011830.0959500.009225
18hexafluoroethane [r116]0.001738-0.1203700.017759
19perfluoropropane [r218]0.000942-0.0944400.018019
20perfluorobutane0.0011990.1104240.020914
21perfluoropentane0.0009910.0027250.021134
22fluorine0.002474-0.0170370.000084
23carbon dioxide0.001593-0.0343930.046387
24benzene0.001097-0.0765230.085332
25toluene0.0010270.0713430.083596
\n", - "
" - ], - "text/plain": [ - " substance $\\Delta T_c$ / % $\\Delta p_c$ / % \\\n", - "0 methane 0.074235 0.349624 \n", - "1 ethane 0.063685 0.303040 \n", - "2 propane 0.054626 0.218771 \n", - "3 n-butane 0.049322 0.322633 \n", - "4 pentane 0.041264 0.372420 \n", - "5 hexane 0.032569 0.425717 \n", - "6 heptane 0.021799 0.236802 \n", - "7 octane 0.013382 0.396097 \n", - "8 nonane 0.009823 0.204764 \n", - "9 decane 0.006019 0.236239 \n", - "10 dodecane 0.001322 0.071482 \n", - "11 pentadecane 0.001082 0.225868 \n", - "12 eicosane 0.000570 -0.160432 \n", - "13 methanol 0.183407 0.027326 \n", - "14 ethanol 0.000055 0.051359 \n", - "15 1-propanol 0.001504 0.014485 \n", - "16 1-butanol 0.001073 -0.006879 \n", - "17 tetrafluoromethane [r14] -0.001183 0.095950 \n", - "18 hexafluoroethane [r116] 0.001738 -0.120370 \n", - "19 perfluoropropane [r218] 0.000942 -0.094440 \n", - "20 perfluorobutane 0.001199 0.110424 \n", - "21 perfluoropentane 0.000991 0.002725 \n", - "22 fluorine 0.002474 -0.017037 \n", - "23 carbon dioxide 0.001593 -0.034393 \n", - "24 benzene 0.001097 -0.076523 \n", - "25 toluene 0.001027 0.071343 \n", - "\n", - " $\\Delta \\rho_c$ / % \n", - "0 0.408159 \n", - "1 0.262340 \n", - "2 0.244391 \n", - "3 0.376631 \n", - "4 0.452599 \n", - "5 0.466502 \n", - "6 0.516342 \n", - "7 0.520532 \n", - "8 0.479280 \n", - "9 0.470530 \n", - "10 0.088943 \n", - "11 0.086090 \n", - "12 0.085698 \n", - "13 0.047228 \n", - "14 0.056039 \n", - "15 0.063254 \n", - "16 0.065317 \n", - "17 0.009225 \n", - "18 0.017759 \n", - "19 0.018019 \n", - "20 0.020914 \n", - "21 0.021134 \n", - "22 0.000084 \n", - "23 0.046387 \n", - "24 0.085332 \n", - "25 0.083596 " - ] - }, - "execution_count": 20, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "pd.DataFrame(result)" - ] - }, - { - "cell_type": "markdown", - "id": "fcb01a9c-0c60-41c9-8493-50ae890f2c77", - "metadata": {}, - "source": [ - "# Binary Phase Diagrams of Ethane + n-Decane" - ] - }, - { - "cell_type": "code", - "execution_count": 21, - "id": "7aa25342", - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "PureRecord" - ] - }, - "execution_count": 21, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "p.pure_records[0].__class__" - ] - }, - { - "cell_type": "code", - "execution_count": 22, - "id": "e96a4fd1-4238-423b-b8ed-86ce4e5b726d", - "metadata": {}, - "outputs": [ - { - "data": { - "text/markdown": [ - "|component|molarweight|m|sigma|epsilon_k|lr|la|\n", - "|-|-|-|-|-|-|-|\n", - "|ethane|30.047|1.4373|3.7257|206.12|12.4|6.0|\n", - "|decane|142.172|2.9976|4.589|400.79|18.885|6.0|\n", - "\n", - "|component 1|component 2|k_ij|\n", - "|-|-|-|\n", - "|ethane|decane|-0.0222|" - ], - "text/plain": [ - "[\n", - " {\n", - " \"identifier\": {\n", - " \"cas\": \"74-84-0\",\n", - " \"name\": \"ethane\",\n", - " \"iupac_name\": \"ethane\",\n", - " \"smiles\": \"CC\",\n", - " \"inchi\": \"InChI=1S/C2H6/c1-2/h1-2H3\"\n", - " },\n", - " \"molarweight\": 30.047,\n", - " \"m\": 1.4373,\n", - " \"sigma\": 3.7257,\n", - " \"epsilon_k\": 206.12,\n", - " \"lr\": 12.4,\n", - " \"la\": 6.0\n", - " },\n", - " {\n", - " \"identifier\": {\n", - " \"cas\": \"124-18-5\",\n", - " \"name\": \"decane\",\n", - " \"iupac_name\": \"decane\",\n", - " \"smiles\": \"CCCCCCCCCC\",\n", - " \"inchi\": \"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3\"\n", - " },\n", - " \"molarweight\": 142.172,\n", - " \"m\": 2.9976,\n", - " \"sigma\": 4.589,\n", - " \"epsilon_k\": 400.79,\n", - " \"lr\": 18.885,\n", - " \"la\": 6.0\n", - " }\n", - "]\n", - "\n", - "[\n", - " {\n", - " \"id1\": 0,\n", - " \"id2\": 1,\n", - " \"k_ij\": -0.0222\n", - " }\n", - "]" - ] - }, - "execution_count": 22, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "path = \"../../parameters/saftvrmie/lafitte2013.json\"\n", - "p = Parameters.from_json([\"ethane\", \"decane\"], path)\n", - "p = Parameters.new_binary(p.pure_records, k_ij=-0.0222)\n", - "p" - ] - }, - { - "cell_type": "code", - "execution_count": 23, - "id": "c2ccaba3-88ec-4c83-990c-170fe1951e5c", - "metadata": {}, - "outputs": [], - "source": [ - "eos = EquationOfState.saftvrmie(p)" - ] - }, - { - "cell_type": "code", - "execution_count": 24, - "id": "d8ac99d0-e4ce-4775-8067-025b72032806", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "for i, t in enumerate([444.15*si.KELVIN, 511.15*si.KELVIN]):\n", - " color = colors[i]\n", - " dia = PhaseDiagram.binary_vle(eos, t, npoints=50)\n", - " df = pd.DataFrame(dia.to_dict(Contributions.Residual))\n", - " df.pressure = df.pressure * (si.PASCAL / si.MEGA / si.PASCAL)\n", - " sns.lineplot(data=df, x=\"x0\", y=\"pressure\", sort=False, color=color)\n", - " sns.lineplot(data=df, x=\"y0\", y=\"pressure\", sort=False, color=color, label=f\"T={t}\")\n", - "\n", - "plt.title(\"ethane + n-decane, $k_{ij} = -0.0222$\")\n", - "plt.legend(frameon=False)\n", - "plt.xlabel(r\"$x_\\mathrm{C_2H_6}$\")\n", - "plt.ylabel(\"$P$ / MPa\")\n", - "plt.xlim(0, 1)\n", - "plt.ylim(0, 20);" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.12.3" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/saftvrqmie/data/deuterium_helium_exp_data.dat b/examples/saftvrqmie/data/deuterium_helium_exp_data.dat deleted file mode 100644 index 2c3f3e902..000000000 --- a/examples/saftvrqmie/data/deuterium_helium_exp_data.dat +++ /dev/null @@ -1,70 +0,0 @@ -#T(K) rho*1e27 (1/m3) sigma (mN/m) -20.0 0.378826528 3.528484552 -20.0 0.885437394 3.396736336 -20.0 1.329331921 3.311359511 -20.0 1.887974016 3.243862616 -20.0 2.446914895 3.15835896 -20.0 3.182807479 3.075232574 -20.0 3.926952213 3.028109953 -20.0 4.627403235 2.947594986 -20.0 5.150689136 2.877564721 -20.0 6.409440785 2.750132014 -20.0 7.082830447 2.700515048 -21.0 0.303404723 3.27390532 -21.0 0.800482934 3.183325169 -21.0 1.226379237 3.115974618 -21.0 1.749494403 3.05623393 -21.0 2.255465017 2.963071629 -21.0 2.94706632 2.882566419 -21.0 3.655940227 2.827765639 -21.0 4.329714041 2.754997124 -21.0 5.02127266 2.677064308 -21.0 6.014148575 2.573075836 -21.0 6.652096676 2.52607029 -22.0 0.245340889 3.03988573 -22.0 0.706166551 3.000792491 -22.0 1.096450559 2.946342936 -22.0 1.566851561 2.863509237 -22.0 2.081202375 2.798633517 -22.0 2.719406577 2.736193604 -22.0 3.393180391 2.663425089 -22.0 4.040490413 2.585541054 -22.0 4.687032133 2.553960117 -22.0 5.644423803 2.45515546 -22.0 6.211616832 2.405655568 -23.0 0.150768405 2.872787418 -23.0 0.585087593 2.831151053 -23.0 0.984349371 2.768974559 -23.0 1.4452604 2.724736531 -23.0 1.924468438 2.64446547 -23.0 2.527316446 2.579492188 -23.0 3.210281447 2.486134762 -23.0 3.74245975 2.413522347 -23.0 4.354029427 2.356256491 -23.0 5.257682528 2.296096286 -23.0 5.833810644 2.24144185 -23.0 7.260493544 2.126685746 -24.0 0.171541059 2.687555514 -24.0 0.49064316 2.656335558 -24.0 0.863398463 2.591615938 -24.0 1.298059119 2.529400418 -24.0 1.74977896 2.505751301 -24.0 2.326333911 2.425372922 -24.0 2.920844402 2.329540664 -24.0 3.488037431 2.280040773 -24.0 4.055187777 2.233113276 -24.0 4.906724283 2.113846538 -24.0 5.456260557 2.061793765 -24.0 6.811206664 2.003708386 -26.0 0.179181411 2.22709693 -26.0 0.568910533 2.206088501 -26.0 0.968940615 2.097608909 -26.0 1.377222847 2.025133081 -26.0 1.900039228 1.983399154 -26.0 2.449703553 1.923629198 -26.0 2.955332698 1.851046051 -26.0 3.47827713 1.801594941 -26.0 4.231186216 1.759607352 -26.0 4.718646404 1.715340056 -26.0 5.959698614 1.587926861 -26.0 7.120463096 1.499187387 diff --git a/examples/saftvrqmie/data/hydrogen_deuterium_exp_data.dat b/examples/saftvrqmie/data/hydrogen_deuterium_exp_data.dat deleted file mode 100644 index 6fdd7c6b0..000000000 --- a/examples/saftvrqmie/data/hydrogen_deuterium_exp_data.dat +++ /dev/null @@ -1,69 +0,0 @@ -# c_D2(%), T(K), sigma(dyne/cm) -7.2 20.44 1.98 -7.2 19.98 2.04 -7.2 19.66 2.11 -7.2 19.28 2.18 -7.2 18.82 2.25 -7.2 18.48 2.31 -7.2 18.23 2.35 -7.2 17.94 2.40 -15.2 20.44 2.10 -15.2 20.43 2.10 -15.2 19.61 2.24 -15.2 19.17 2.31 -15.2 18.80 2.38 -15.2 18.35 2.45 -15.2 17.74 2.57 -23.6 20.43 2.19 -23.6 20.41 2.21 -23.6 20.08 2.26 -23.6 19.48 2.37 -23.6 19.43 2.38 -23.6 18.69 2.52 -23.6 18.08 2.62 -23.6 17.47 2.71 -23.6 16.44 2.86 -32.8 20.42 2.31 -32.8 20.41 2.31 -32.8 20.41 2.31 -32.8 19.27 2.53 -32.8 18.86 2.60 -32.8 18.25 2.70 -32.8 18.48 2.67 -32.8 17.92 2.76 -38.6 20.45 2.34 -38.6 20.44 2.37 -38.6 20.46 2.37 -38.6 20.44 2.36 -38.6 20.43 2.35 -38.6 20.39 2.39 -38.6 20.32 2.39 -38.6 19.46 2.33 -38.6 18.85 2.63 -38.6 18.40 2.76 -38.6 17.21 2.92 -38.6 17.14 2.95 -49.9 20.46 2.62 -49.9 20.44 2.62 -49.9 20.44 2.63 -49.9 20.43 2.64 -49.9 19.96 2.72 -49.9 19.39 2.82 -49.9 18.94 2.91 -49.9 18.93 2.91 -74.1 20.44 2.89 -74.1 20.44 2.89 -74.1 20.43 2.90 -74.1 19.99 2.97 -74.1 19.94 2.98 -74.1 19.39 3.10 -74.1 18.96 3.18 -74.1 18.56 3.24 -74.1 18.42 3.29 -74.1 18.14 3.30 -74.1 17.81 3.37 -82.3 20.38 3.01 -82.3 19.48 3.17 -82.3 19.17 3.24 -82.3 18.27 3.40 -82.3 17.90 3.47 \ No newline at end of file diff --git a/examples/saftvrqmie/data/hydrogen_helium_exp_data.dat b/examples/saftvrqmie/data/hydrogen_helium_exp_data.dat deleted file mode 100644 index 62943713d..000000000 --- a/examples/saftvrqmie/data/hydrogen_helium_exp_data.dat +++ /dev/null @@ -1,33 +0,0 @@ -#T(K) rho (g/cm3) sigma (mN/m) -15.0 0.004266738 2.686107339 -15.0 0.008248182 2.608473586 -15.0 0.012905049 2.517656594 -15.0 0.018023356 2.437312514 -15.0 0.022536497 2.392389508 -15.0 0.027299094 2.325299715 -15.0 0.036823076 2.225193933 -17.0 0.003138874 2.435486333 -17.0 0.006621828 2.390334396 -17.0 0.010781206 2.303851295 -17.0 0.014655867 2.232119739 -17.0 0.018636258 2.184115381 -17.0 0.022687749 2.134645342 -17.0 0.030612955 2.040110202 -17.0 0.038430484 1.976662246 -19.0 0.001798657 2.162595914 -19.0 0.005139937 2.105560643 -19.0 0.008481322 2.045562432 -19.0 0.011857968 1.992979465 -19.0 0.015269875 1.94781174 -19.0 0.018681834 1.901162546 -19.0 0.025469334 1.83304125 -19.0 0.032115318 1.748592209 -21.0 0.001098393 1.875032892 -21.0 0.003195975 1.828091614 -21.0 0.006110655 1.779850432 -21.0 0.009060648 1.737543023 -21.0 0.012046481 1.68635469 -21.0 0.014960845 1.647002326 -21.0 0.020753997 1.569771175 -21.0 0.026581989 1.511807025 -21.0 0.033617891 1.451148336 \ No newline at end of file diff --git a/examples/saftvrqmie/deuterium_32K.table b/examples/saftvrqmie/deuterium_32K.table deleted file mode 100644 index c5bfa796e..000000000 --- a/examples/saftvrqmie/deuterium_32K.table +++ /dev/null @@ -1,5005 +0,0 @@ -# DATE: YYYY-MM-DD UNITS: real CONTRIBUTOR: YOUR NAME -# FH1 potential for deuterium at T = 32 K -FH1_deuterium -N 5000 - -1 0.10000000 2992268387138745856.00000000 388821963225074827264.00000000 -2 0.10238048 2204134613096212480.00000000 279744747075187605504.00000000 -3 0.10476095 1635046766926236416.00000000 202797325462083895296.00000000 -4 0.10714143 1221067095675391488.00000000 148082546204575629312.00000000 -5 0.10952190 917778752412293120.00000000 108880189793970733056.00000000 -6 0.11190238 694073872985799936.00000000 80587576192366870528.00000000 -7 0.11428286 527995593645931200.00000000 60026163169319444480.00000000 -8 0.11666333 403930296894495168.00000000 44983460346953818112.00000000 -9 0.11904381 310695597428795712.00000000 33907698943375122432.00000000 -10 0.12142428 240227765208270720.00000000 25702578135821778944.00000000 -11 0.12380476 186673662824662368.00000000 19588155329125552128.00000000 -12 0.12618524 145757854933921408.00000000 15005823633314473984.00000000 -13 0.12856571 114338349762706432.00000000 11552914042029342720.00000000 -14 0.13094619 90092608176414272.00000000 8937359676862769152.00000000 -15 0.13332667 71294155828093368.00000000 6946048264936086528.00000000 -16 0.13570714 56652643465329224.00000000 5422581512988439552.00000000 -17 0.13808762 45198632651923400.00000000 4251544115660674560.00000000 -18 0.14046809 36200109658359576.00000000 3347307671249231360.00000000 -19 0.14284857 29101645402614892.00000000 2646014239144995328.00000000 -20 0.14522905 23479814753717868.00000000 2099803198530257920.00000000 -21 0.14760952 19010356420948404.00000000 1672630328801424384.00000000 -22 0.14999000 15443857311280656.00000000 1337223568459692032.00000000 -23 0.15237047 12587659265577340.00000000 1072854803600814464.00000000 -24 0.15475095 10292331222172748.00000000 863700674410900480.00000000 -25 0.15713143 8441507815244317.00000000 697630776896333056.00000000 -26 0.15951190 6944222304260585.00000000 565307564692166144.00000000 -27 0.16189238 5729096314410479.00000000 459514695718621696.00000000 -28 0.16427285 4739918085735812.00000000 374653606464721152.00000000 -29 0.16665333 3932263609315222.50000000 306364544047003136.00000000 -30 0.16903381 3270904404885735.50000000 251240088441274656.00000000 -31 0.17141428 2727811115435064.50000000 206607708346910976.00000000 -32 0.17379476 2280610201124572.00000000 170364061368525408.00000000 -33 0.17617524 1911386547658835.25000000 140848238952309168.00000000 -34 0.17855571 1605751163249015.25000000 116744439912225248.00000000 -35 0.18093619 1352112774420143.50000000 97006968160514944.00000000 -36 0.18331666 1141106818678804.75000000 80802229401982544.00000000 -37 0.18569714 965146362225033.75000000 67463719486027208.00000000 -38 0.18807762 818067786378783.50000000 56456977358598032.00000000 -39 0.19045809 694850378955140.37500000 47352207522501496.00000000 -40 0.19283857 591393746063418.62500000 39802825587613768.00000000 -41 0.19521904 504340602646762.31250000 33528593312459856.00000000 -42 0.19759952 430935286403902.81250000 28302321276901048.00000000 -43 0.19998000 368910478166318.25000000 23939353570442312.00000000 -44 0.20236047 316396258426529.00000000 20289228535187788.00000000 -45 0.20474095 271846901729086.43750000 17229046684614444.00000000 -46 0.20712142 233981796362615.93750000 14658181862603626.00000000 -47 0.20950190 201737643010916.18750000 12494052305265266.00000000 -48 0.21188238 174229683401609.84375000 10668730363319156.00000000 -49 0.21426285 150720177100689.12500000 9126217629706644.00000000 -50 0.21664333 130592710893771.75000000 7820249412366001.00000000 -51 0.21902380 113331213232441.23437500 6712521407068225.00000000 -52 0.22140428 98502773343919.00000000 5771253967559802.00000000 -53 0.22378476 85743544166300.48437500 4970026993640718.00000000 -54 0.22616523 74747150607933.23437500 4286832273283712.50000000 -55 0.22854571 65255137744448.71093750 3703300974232134.50000000 -56 0.23092619 57049083684131.80468750 3204072538577956.50000000 -57 0.23330666 49944073802966.17187500 2776277995568831.00000000 -58 0.23568714 43783290666407.89843750 2409116063757360.00000000 -59 0.23806761 38433520186906.42968750 2093504666304270.00000000 -60 0.24044809 33781411748682.04296875 1821793868116487.75000000 -61 0.24282857 29730360002790.17968750 1587528943974535.25000000 -62 0.24520904 26197900247661.56640625 1385254446227693.25000000 -63 0.24758952 23113528911986.77734375 1210351871310992.50000000 -64 0.24996999 20416876559462.97656250 1058904914462214.75000000 -65 0.25235047 18056173763299.90234375 927587421024032.87500000 -66 0.25473095 15986960730099.58398438 813570045397999.25000000 -67 0.25711142 14171000149154.81250000 714442358412134.75000000 -68 0.25949190 12575359773674.32226562 628147734929240.12500000 -69 0.26187237 11171637001217.61523438 552928833256978.81250000 -70 0.26425285 9935302449878.94921875 487281868059722.37500000 -71 0.26663333 8845143416361.10742188 429918196361920.31250000 -72 0.26901380 7882791306890.70410156 379731995744174.00000000 -73 0.27139428 7032319777202.73730469 335773026081479.18750000 -74 0.27377475 6279902505058.35058594 297223640083086.75000000 -75 0.27615523 5613521330369.20019531 263379350646041.40625000 -76 0.27853571 5022717001015.19042969 233632380418239.25000000 -77 0.28091618 4498376011488.40234375 207457715657283.09375000 -78 0.28329666 4032548061173.30371094 184401266251986.75000000 -79 0.28567714 3618289525857.48779297 164069799711420.93750000 -80 0.28805761 3249529059843.27197266 146122371513242.34375000 -81 0.29043809 2920952051322.84570312 130263019465713.60937500 -82 0.29281856 2627901160652.83447266 116234527328638.14062500 -83 0.29519904 2366290596420.01269531 103813094206438.90625000 -84 0.29757952 2132532141423.04980469 92803772275233.42187500 -85 0.29995999 1923471241218.34741211 83036557138984.32812500 -86 0.30234047 1736331721052.51586914 74363033269486.84375000 -87 0.30472094 1568667910586.74340820 66653492180833.47656250 -88 0.30710142 1418323136248.15600586 59794453723069.51562500 -89 0.30948190 1283393693671.44384766 53686531565911.10156250 -90 0.31186237 1162197541976.78051758 48242592923509.33593750 -91 0.31424285 1053247071280.52124023 43386170127974.63281250 -92 0.31662332 955225387954.75451660 39050088026935.75000000 -93 0.31900380 866965641332.81103516 35175276553046.42968750 -94 0.32138428 787432982970.63000488 31709742352450.00000000 -95 0.32376475 715708807038.11584473 28607677199028.80468750 -96 0.32614523 650976969457.47180176 25828684173635.53906250 -97 0.32852571 592511725311.44470215 23337105345759.78515625 -98 0.33090618 539667159893.66052246 21101437037150.81250000 -99 0.33328666 491867919476.86706543 19093820738015.42578125 -100 0.33566713 448601074201.40472412 17289599441151.13671875 -101 0.33804761 409408968084.98645020 15666930603566.07226562 -102 0.34042809 373882930575.14263916 14206448177247.14062500 -103 0.34280856 341657740772.76892090 12890967203111.91015625 -104 0.34518904 312406749843.61157227 11705225362050.13671875 -105 0.34756951 285837579539.19219971 10635656647283.33593750 -106 0.34994999 261688325454.22872925 9670192982414.44531250 -107 0.35233047 239724202896.37283325 8798090175877.19140625 -108 0.35471094 219734581242.37915039 8009775088872.06542969 -109 0.35709142 201530359578.67431641 7296711312021.11523438 -110 0.35947189 184941642423.90438843 6651281005830.34472656 -111 0.36185237 169815679534.95932007 6066680870060.87109375 -112 0.36423285 156015038315.95288086 5536830474448.00195312 -113 0.36661332 143415981275.91735840 5056291413977.36914062 -114 0.36899380 131907024396.15065002 4620195951324.12890625 -115 0.37137427 121387655241.59643555 4224183981519.57080078 -116 0.37375475 111767192241.77883911 3864347303209.36132812 -117 0.37613523 102963768826.84687805 3537180310240.62207031 -118 0.37851570 94903428077.31614685 3239536329527.20214844 -119 0.38089618 87519315270.01852417 2968588928556.77050781 -120 0.38327666 80750957210.40180969 2721797600550.37890625 -121 0.38565713 74543618560.86759949 2496877308901.96777344 -122 0.38803761 68847726530.79302979 2291771436607.81445312 -123 0.39041808 63618356307.33094788 2104627742226.19458008 -124 0.39279856 58814770495.33897400 1933776972590.59472656 -125 0.39517904 54400006615.71820068 1777713824987.37304688 -126 0.39755951 50340507397.76579285 1635079988619.46337891 -127 0.39993999 46605789204.82949829 1504649027619.85424805 -128 0.40232046 43168144463.93722534 1385312896261.88061523 -129 0.40470094 40002374438.20765686 1276069901866.66772461 -130 0.40708142 37085549093.54916382 1176013952686.97802734 -131 0.40946189 34396791175.28167725 1084324947147.30334473 -132 0.41184237 31917081931.80957413 1000260177584.23059082 -133 0.41422284 29629086206.55108643 923146636356.60070801 -134 0.41660332 27516994870.51654434 852374125139.17248535 -135 0.41898380 25566382790.19308853 787389079600.51599121 -136 0.42136427 23764080722.21757126 727689031690.79394531 -137 0.42374475 22098059700.72227478 672817640596.94653320 -138 0.42612523 20557326637.89518356 622360231209.63232422 -139 0.42850570 19131829995.52534866 575939785816.32751465 -140 0.43088618 17812374507.16332245 533213340800.87316895 -141 0.43326665 16590544038.80133057 493868745489.10980225 -142 0.43564713 15458631772.24954414 457621745018.70697021 -143 0.43802761 14409576981.04332352 424213353303.83819580 -144 0.44040808 13436907744.97527695 393407485877.17956543 -145 0.44278856 12534689017.28675079 364988825680.34722900 -146 0.44516903 11697475519.11545181 338760897789.34527588 -147 0.44754951 10920268989.82099915 314544331648.10546875 -148 0.44992999 10198479370.02941322 292175291679.24047852 -149 0.45231046 9527889537.30169106 271504059180.64907837 -150 0.45469094 8904623252.81861877 252393750229.52224731 -151 0.45707141 8325116011.88634109 234719155927.66351318 -152 0.45945189 7786088521.85900211 218365692757.04443359 -153 0.46183237 7284522558.63898945 203228452092.37124634 -154 0.46421284 6817638977.60900402 189211339056.14660645 -155 0.46659332 6382877676.98170185 176226291916.95715332 -156 0.46897379 5977879331.40007114 164192574137.44369507 -157 0.47135427 5600468731.43232536 153036131986.97021484 -158 0.47373475 5248639580.59451103 142689011356.15557861 -159 0.47611522 4920540615.89851284 133088828055.86201477 -160 0.47849570 4614462930.83302021 124178286460.35652161 -161 0.48087618 4328828391.29594517 115904741870.76467896 -162 0.48325665 4062179045.44299173 108219802437.21134949 -163 0.48563713 3813167437.82227087 101078966892.13836670 -164 0.48801760 3580547746.63538980 94441294718.39274597 -165 0.49039808 3363167670.60007286 88269105708.47355652 -166 0.49277856 3159960998.77278757 82527706169.90190125 -167 0.49515903 2969940802.89927864 77185139299.69435120 -168 0.49753951 2792193197.46615934 72211957491.66297913 -169 0.49991998 2625871617.68776178 67581014556.58326721 -170 0.50230046 2470191570.23556805 63267276029.77834320 -171 0.50468094 2324425815.65078783 59247645915.62339020 -172 0.50706141 2187899945.11913586 55500808375.95248413 -173 0.50944189 2059988317.66920900 52007083011.14783478 -174 0.51182236 1940110326.91756082 48748292510.43608093 -175 0.51420284 1827726969.25680327 45707641563.07399750 -176 0.51658332 1722337687.89551926 42869606025.94409180 -177 0.51896379 1623477469.43662119 40219831436.77915955 -178 0.52134427 1530714171.74632668 37745040046.80611420 -179 0.52372474 1443646063.74039745 35432945622.98522949 -180 0.52610522 1361899559.41566539 33272175339.03600693 -181 0.52848570 1285127129.99991250 31252198136.82460022 -182 0.53086617 1213005379.49718738 29363258996.11461639 -183 0.53324665 1145233270.18157601 27596318601.73110580 -184 0.53562713 1081530485.75291967 25942997943.40303421 -185 0.53800760 1021635920.92354453 24395527425.39760971 -186 0.54038808 965306287.16592634 22946700100.98127747 -187 0.54276855 912314825.22604907 21589828681.11247635 -188 0.54514903 862450115.80401194 20318705997.93824005 -189 0.54752951 815514980.52973449 19127568631.94617081 -190 0.54990998 771325466.02355599 18011063437.28600311 -191 0.55229046 729709904.43540120 16964216723.08116341 -192 0.55467093 690508044.40700448 15982405869.71734428 -193 0.55705141 653570246.90461802 15061333178.33544731 -194 0.55943189 618756740.82873809 14197001769.24519920 -195 0.56181236 585936933.72688472 13385693360.88504791 -196 0.56419284 554988773.31872475 12623947775.42742729 -197 0.56657331 525798155.89330232 11908544030.30574226 -198 0.56895379 498258377.95862591 11236482886.93814468 -199 0.57133427 472269627.81703329 10604970738.85306931 -200 0.57371474 447738514.00817603 10011404731.38488007 -201 0.57609522 424577627.80714023 9453359014.18970299 -202 0.57847570 402705137.19031346 8928572036.11665154 -203 0.58085617 382044409.88778585 8434934799.52715969 -204 0.58323665 362523663.33012748 7970479998.05573845 -205 0.58561712 344075639.47069705 7533371968.10530949 -206 0.58799760 326637302.62360066 7121897390.12476444 -207 0.59037808 310149558.60333097 6734456680.97621822 -208 0.59275855 294556993.58600062 6369556023.50633049 -209 0.59513903 279807631.23507279 6025799983.83318329 -210 0.59751950 265852706.74740934 5701884670.88138676 -211 0.59989998 252646456.57926905 5396591396.37961864 -212 0.60228046 240145922.70728648 5108780796.90415192 -213 0.60466093 228310770.36716774 4837387382.63771343 -214 0.60704141 217103118.29354668 4581414480.34052467 -215 0.60942188 206487380.55868870 4339929540.62127399 -216 0.61180236 196430119.17605063 4112059781.97083187 -217 0.61418284 186899906.69764581 3896988146.20032358 -218 0.61656331 177867198.09210202 3693949541.92327499 -219 0.61894379 169304211.24370754 3502227354.55590725 -220 0.62132426 161184815.46193227 3321150202.99295616 -221 0.62370474 153484427.43629563 3150088924.66286421 -222 0.62608522 146179914.11328754 2988453772.08650875 -223 0.62846569 139249502.01063812 2835691805.36864758 -224 0.63084617 132672692.51986127 2691284466.25136709 -225 0.63322665 126430182.78086561 2554745320.46186972 -226 0.63560712 120503791.74279362 2425617956.10194159 -227 0.63798760 114876391.05328003 2303474026.76000261 -228 0.64036807 109531840.44423565 2187911428.88627291 -229 0.64274855 104454927.30620819 2078552603.76285195 -230 0.64512903 99631310.16549721 1975042955.12919402 -231 0.64750950 95047465.79868200 1877049374.19500518 -232 0.64988998 90690639.73814847 1784258864.39125824 -233 0.65227045 86548799.93972830 1696377258.78048849 -234 0.65465093 82610593.39977312 1613128023.57337856 -235 0.65703141 78865305.52400550 1534251141.68391609 -236 0.65941188 75302822.06439418 1459502070.70302653 -237 0.66179236 71913593.45317368 1388650770.08364391 -238 0.66417283 68688601.37507206 1321480792.71172857 -239 0.66655331 65619327.42986660 1257788436.38989210 -240 0.66893379 62697723.74764858 1197381951.08576512 -241 0.67131426 59916185.42868403 1140080798.09779692 -242 0.67369474 57267524.68858510 1085714957.56917453 -243 0.67607522 54744946.59769297 1034124281.03746831 -244 0.67845569 52342026.31116863 985157885.94515407 -245 0.68083617 50052687.69334673 938673589.25606632 -246 0.68321664 47871183.24645502 894537377.52616084 -247 0.68559712 45792075.25989068 852622910.96528876 -248 0.68797760 43810218.10189392 812811059.20089841 -249 0.69035807 41920741.58071848 774989466.61608100 -250 0.69273855 40119035.30727966 739052145.28383219 -251 0.69511902 38400733.99580490 704899093.65800619 -252 0.69749950 36761703.64323360 672435939.30978096 -253 0.69987998 35198028.53204463 641573604.11755586 -254 0.70226045 33705999.00484736 612227990.42857778 -255 0.70464093 32282099.96247282 584319686.81296241 -256 0.70702140 30923000.04047427 557773692.12581861 -257 0.70940188 29625541.42189452 532519156.68131953 -258 0.71178236 28386730.24690861 508489139.42444128 -259 0.71416283 27203727.58250870 485620380.06203210 -260 0.71654331 26073840.91778698 463853085.18550354 -261 0.71892378 24994516.15259654 443130727.48297697 -262 0.72130426 23963330.04944294 423399857.19963473 -263 0.72368474 22977983.12039563 404609925.06167001 -264 0.72606521 22036292.92261087 386713115.93185520 -265 0.72844569 21136187.73774305 369664192.51372272 -266 0.73082617 20275700.61209041 353420348.46685016 -267 0.73320664 19452963.73578914 337941070.33813310 -268 0.73558712 18666203.14073902 323188007.75333941 -269 0.73796759 17913733.69822107 309124851.34991306 -270 0.74034807 17193954.39836373 295717217.96617949 -271 0.74272855 16505343.89472869 282932542.63389325 -272 0.74510902 15846456.29833147 270739976.95071763 -273 0.74748950 15215917.20638502 259110293.43680918 -274 0.74986997 14612419.95196746 248015795.50542143 -275 0.75225045 14034722.06166605 237430232.70140633 -276 0.75463093 13481641.90904729 227328720.88385972 -277 0.75701140 12952055.55254782 217687667.04998115 -278 0.75939188 12444893.74707926 208484698.51667884 -279 0.76177235 11959139.11929278 199698596.19458467 -280 0.76415283 11493823.49706027 191309231.70605919 -281 0.76653331 11048025.38430151 183297508.11457670 -282 0.76891378 10620867.57282277 175645304.04761863 -283 0.77129426 10211514.88333425 168335421.00898105 -284 0.77367473 9819172.02828392 161351533.68925202 -285 0.77605521 9443081.58958653 154678143.09523663 -286 0.77843569 9082522.10473941 148300532.33033356 -287 0.78081616 8736806.25520396 142204724.86834466 -288 0.78319664 8405279.15129492 136377445.17302009 -289 0.78557712 8087316.70816029 130806081.52479587 -290 0.78795759 7782324.10775393 125478650.92476481 -291 0.79033807 7489734.34200265 120383765.95392749 -292 0.79271854 7209006.83265107 115510603.47328132 -293 0.79509902 6939626.12353147 110848875.05732204 -294 0.79747950 6681100.64125331 106388799.06009552 -295 0.79985997 6432961.52054035 102121074.21909438 -296 0.80224045 6194761.49066132 98036854.70804521 -297 0.80462092 5966073.81960590 94127726.55502906 -298 0.80700140 5746491.31284993 90385685.34742045 -299 0.80938188 5535625.36373545 86803115.14986694 -300 0.81176235 5333105.05266156 83372768.56596331 -301 0.81414283 5138576.29244163 80087747.87842473 -302 0.81652330 4951701.01733343 76941487.20646173 -303 0.81890378 4772156.41338998 73927735.62270889 -304 0.82128426 4599634.18791224 71040541.17548436 -305 0.82366473 4433839.87590972 68274235.76536533 -306 0.82604521 4274492.18159303 65623420.82807972 -307 0.82842569 4121322.35303349 63082953.77854161 -308 0.83080616 3974073.58822873 60647935.17350556 -309 0.83318664 3832500.47091200 58313696.55280981 -310 0.83556711 3696368.43453495 56075788.92151216 -311 0.83794759 3565453.25294113 53929971.83741910 -312 0.84032807 3439540.55632903 51872203.07056706 -313 0.84270854 3318425.37118128 49898628.80315317 -314 0.84508902 3201911.68290893 48005574.34022976 -315 0.84746949 3089812.02002877 46189535.30318750 -316 0.84984997 2981947.05875597 44447169.27965558 -317 0.85223045 2878145.24695547 42775287.90495914 -318 0.85461092 2778242.44645311 41170849.35169367 -319 0.85699140 2682081.59276130 39630951.20530809 -320 0.85937187 2589512.37132570 38152823.70484629 -321 0.86175235 2500390.90944698 36733823.32917544 -322 0.86413283 2414579.48307791 35371426.71014199 -323 0.86651330 2331946.23773826 34063224.85513896 -324 0.86889378 2252364.92283092 32806917.66255371 -325 0.87127425 2175714.63868101 31600308.71449140 -326 0.87365473 2101879.59565529 30441300.33203856 -327 0.87603521 2030748.88475385 29327888.87915473 -328 0.87841568 1962216.25909798 28258160.30205131 -329 0.88079616 1896179.92576850 27230285.89164566 -330 0.88317664 1832542.34747768 26242518.25736331 -331 0.88555711 1771210.05358490 25293187.50120844 -332 0.88793759 1712093.45999191 24380697.58163141 -333 0.89031806 1655106.69747785 23503522.85729546 -334 0.89269854 1600167.44805689 22660204.80138663 -335 0.89507902 1547196.78896322 21849348.87762053 -336 0.89745949 1496119.04388859 21069621.56958127 -337 0.89983997 1446861.64111670 20319747.55548035 -338 0.90222044 1399354.97821752 19598507.02085262 -339 0.90460092 1353532.29298145 18904733.10210929 -340 0.90698140 1309329.54029004 18237309.45424947 -341 0.90936187 1266685.27463524 17595167.93639064 -342 0.91174235 1225540.53801389 16977286.40911819 -343 0.91412282 1185838.75293826 16382686.63797490 -344 0.91650330 1147525.62031616 15810432.29771264 -345 0.91888378 1110549.02196715 15259627.07221515 -346 0.92126425 1074858.92755270 14729412.84527000 -347 0.92364473 1040407.30570967 14218967.97762301 -348 0.92602521 1007148.03918675 13727505.66598853 -349 0.92840568 975036.84379385 13254272.37991687 -350 0.93078616 944031.19098364 12798546.37263544 -351 0.93316663 914090.23389367 12359636.26218219 -352 0.93554711 885174.73668585 11936879.67934315 -353 0.93792759 857247.00702826 11529641.97908685 -354 0.94030806 830270.83157197 11137315.01236008 -355 0.94268854 804211.41428260 10759315.95527196 -356 0.94506901 779035.31749352 10395086.19284663 -357 0.94744949 754710.40555405 10044090.25467056 -358 0.94982997 731205.79095195 9705814.79989731 -359 0.95221044 708491.78279581 9379767.64920310 -360 0.95459092 686539.83754826 9065476.86140942 -361 0.95697139 665322.51190620 8762489.85260545 -362 0.95935187 644813.41772945 8470372.55571329 -363 0.96173235 624987.17892381 8188708.61854332 -364 0.96411282 605819.39018917 7917098.63848628 -365 0.96649330 587286.57754761 7655159.43208158 -366 0.96887377 569366.16057037 7402523.33779076 -367 0.97125425 552036.41622663 7158837.55038847 -368 0.97363473 535276.44428069 6923763.48546334 -369 0.97601520 519066.13416739 6696976.17259610 -370 0.97839568 503386.13327945 6478163.67585423 -371 0.98077616 488217.81660293 6267026.54030976 -372 0.98315663 473543.25764061 6063277.26335138 -373 0.98553711 459345.20056549 5866639.78962253 -374 0.98791758 445607.03354957 5676849.02847528 -375 0.99029806 432312.76321559 5493650.39288422 -376 0.99267854 419446.99016181 5316799.35881656 -377 0.99505901 406994.88551233 5146061.04410406 -378 0.99743949 394942.16844759 4981209.80590882 -379 0.99981996 383275.08467177 4822028.85591965 -380 1.00220044 371980.38577598 4668309.89245741 -381 1.00458092 361045.30945784 4519852.74870791 -382 1.00696139 350457.56056000 4376465.05633880 -383 1.00934187 340205.29289176 4237961.92379265 -384 1.01172234 330277.09179980 4104165.62858286 -385 1.01410282 320661.95745520 3974905.32295122 -386 1.01648330 311349.28882608 3850016.75227683 -387 1.01886377 302328.86830570 3729341.98565535 -388 1.02124425 293590.84696818 3612729.15809523 -389 1.02362472 285125.73042454 3500032.22380417 -390 1.02600520 276924.36525326 3391110.72006368 -391 1.02838568 268977.92598098 3285829.54121411 -392 1.03076615 261277.90258944 3184058.72229440 -393 1.03314663 253816.08852659 3085673.23190302 -394 1.03552711 246584.56920008 2990552.77386643 -395 1.03790758 239575.71093285 2898581.59732122 -396 1.04028806 232782.15036120 2809648.31483452 -397 1.04266853 226196.78425654 2723645.72820461 -398 1.04504901 219812.75975306 2640470.66160064 -399 1.04742949 213623.46496420 2560023.80171622 -400 1.04980996 207622.51997158 2482209.54462665 -401 1.05219044 201803.76817076 2406935.84905403 -402 1.05457091 196161.26795905 2334114.09575825 -403 1.05695139 190689.28475091 2263658.95278464 -404 1.05933187 185382.28330747 2195488.24631185 -405 1.06171234 180234.92036704 2129522.83685494 -406 1.06409282 175242.03756424 2065686.50059009 -407 1.06647329 170398.65462562 2003905.81557806 -408 1.06885377 165699.96283069 1944110.05267358 -409 1.07123425 161141.31872711 1886231.07091767 -410 1.07361472 156718.23808982 1830203.21721901 -411 1.07599520 152426.39011404 1775963.23013943 -412 1.07837568 148261.59183262 1723450.14760672 -413 1.08075615 144219.80274854 1672605.21838624 -414 1.08313663 140297.11967385 1623371.81715009 -415 1.08551710 136489.77176668 1575695.36299014 -416 1.08789758 132794.11575820 1529523.24122798 -417 1.09027806 129206.63136204 1484804.72838132 -418 1.09265853 125723.91685860 1441490.92015288 -419 1.09503901 122342.68484736 1399534.66231358 -420 1.09741948 119059.75816038 1358890.48435774 -421 1.09979996 115872.06593058 1319514.53581309 -422 1.10218044 112776.63980856 1281364.52509408 -423 1.10456091 109770.61032203 1244399.66079135 -424 1.10694139 106851.20337226 1208580.59529544 -425 1.10932186 104015.73686202 1173869.37065694 -426 1.11170234 101261.61744981 1140229.36658978 -427 1.11408282 98586.33742545 1107625.25052842 -428 1.11646329 95987.47170219 1076022.92965344 -429 1.11884377 93462.67492068 1045389.50480399 -430 1.12122424 91009.67866062 1015693.22619903 -431 1.12360472 88626.28875564 986903.45089253 -432 1.12598520 86310.38270746 958990.60189128 -433 1.12836567 84059.90719553 931926.12886689 -434 1.13074615 81872.87567829 905682.47039654 -435 1.13312663 79747.36608259 880233.01766994 -436 1.13550710 77681.51857784 855552.07960249 -437 1.13788758 75673.53343152 831614.84929737 -438 1.14026805 73721.66894307 808397.37180169 -439 1.14264853 71824.23945295 785876.51310398 -440 1.14502901 69979.61342419 764029.93032302 -441 1.14740948 68186.21159338 742836.04303948 -442 1.14978996 66442.50518876 722274.00572457 -443 1.15217043 64747.01421255 702323.68122131 -444 1.15455091 63098.30578525 682965.61523621 -445 1.15693139 61494.99254952 664181.01180085 -446 1.15931186 59935.73113130 645951.70966450 -447 1.16169234 58419.22065611 628260.15958059 -448 1.16407281 56944.20131837 611089.40245153 -449 1.16645329 55509.45300173 594423.04829750 -450 1.16883377 54113.79394857 578245.25601681 -451 1.17121424 52756.07947675 562540.71390620 -452 1.17359472 51435.20074180 547294.62091120 -453 1.17597520 50150.08354300 532492.66857773 -454 1.17835567 48899.68717155 518121.02367730 -455 1.18073615 47683.00329933 504166.31147934 -456 1.18311662 46499.05490678 490615.59964533 -457 1.18549710 45346.89524834 477456.38272040 -458 1.18787758 44225.60685416 464676.56719899 -459 1.19025805 43134.30056668 452264.45714232 -460 1.19263853 42072.11461087 440208.74032614 -461 1.19501900 41038.21369671 428498.47489810 -462 1.19739948 40031.78815299 417123.07652522 -463 1.19977996 39052.05309103 406072.30601230 -464 1.20216043 38098.24759741 395336.25737316 -465 1.20454091 37169.63395449 384905.34633736 -466 1.20692138 36265.49688788 374770.29927557 -467 1.20930186 35385.14283973 364922.14252756 -468 1.21168234 34527.89926696 355352.19211741 -469 1.21406281 33693.11396359 346052.04384113 -470 1.21644329 32880.15440614 337013.56371257 -471 1.21882376 32088.40712145 328228.87875387 -472 1.22120424 31317.27707595 319690.36811739 -473 1.22358472 30566.18708577 311390.65452670 -474 1.22596519 29834.57724675 303322.59602435 -475 1.22834567 29121.90438384 295479.27801499 -476 1.23072615 28427.64151903 287854.00559266 -477 1.23310662 27751.27735728 280440.29614155 -478 1.23548710 27092.31578966 273231.87220003 -479 1.23786757 26450.27541327 266222.65457798 -480 1.24024805 25824.68906720 259406.75571808 -481 1.24262853 25215.10338401 252778.47329188 -482 1.24500900 24621.07835620 246332.28402184 -483 1.24738948 24042.18691711 240062.83772119 -484 1.24976995 23478.01453579 233964.95154316 -485 1.25215043 22928.15882529 228033.60443223 -486 1.25453091 22392.22916389 222263.93176955 -487 1.25691138 21869.84632896 216651.22020573 -488 1.25929186 21360.64214278 211190.90267378 -489 1.26167233 20864.25913012 205878.55357580 -490 1.26405281 20380.35018701 200709.88413699 -491 1.26643329 19908.57826042 195680.73792082 -492 1.26881376 19448.61603841 190787.08649945 -493 1.27119424 19000.14565044 186025.02527388 -494 1.27357471 18562.85837736 181390.76943822 -495 1.27595519 18136.45437101 176880.65008290 -496 1.27833567 17720.64238274 172491.11043185 -497 1.28071614 17315.13950089 168218.70220870 -498 1.28309662 16919.67089669 164060.08212740 -499 1.28547710 16533.96957839 160012.00850272 -500 1.28785757 16157.77615333 156071.33797648 -501 1.29023805 15790.83859764 152235.02235502 -502 1.29261852 15432.91203339 148500.10555435 -503 1.29499900 15083.75851283 144863.72064876 -504 1.29737948 14743.14680958 141323.08701940 -505 1.29975995 14410.85221649 137875.50759917 -506 1.30214043 14086.65634989 134518.36621060 -507 1.30452090 13770.34696014 131249.12499330 -508 1.30690138 13461.71774821 128065.32191780 -509 1.30928186 13160.56818797 124964.56838292 -510 1.31166233 12866.70335423 121944.54689342 -511 1.31404281 12579.93375613 119003.00881533 -512 1.31642328 12300.07517584 116137.77220619 -513 1.31880376 12026.94851230 113346.71971741 -514 1.32118424 11760.37962987 110627.79656647 -515 1.32356471 11500.19921177 107979.00857630 -516 1.32594519 11246.24261806 105398.42027957 -517 1.32832567 10998.34974807 102884.15308574 -518 1.33070614 10756.36490713 100434.38350846 -519 1.33308662 10520.13667749 98047.34145139 -520 1.33546709 10289.51779313 95721.30855038 -521 1.33784757 10064.36501861 93454.61657005 -522 1.34022805 9844.53903155 91245.64585283 -523 1.34260852 9629.90430879 89092.82381877 -524 1.34498900 9420.32901610 86994.62351428 -525 1.34736947 9215.68490118 84949.56220815 -526 1.34974995 9015.84719008 82956.20003319 -527 1.35213043 8820.69448669 81013.13867202 -528 1.35451090 8630.10867539 79119.02008543 -529 1.35689138 8443.97482662 77272.52528180 -530 1.35927185 8262.18110534 75472.37312631 -531 1.36165233 8084.61868233 73717.31918857 -532 1.36403281 7911.18164812 72006.15462720 -533 1.36641328 7741.76692957 70337.70511032 -534 1.36879376 7576.27420898 68710.82977065 -535 1.37117423 7414.60584564 67124.42019398 -536 1.37355471 7256.66679972 65577.39944001 -537 1.37593519 7102.36455852 64068.72109439 -538 1.37831566 6951.60906488 62597.36835093 -539 1.38069614 6804.31264776 61162.35312300 -540 1.38307662 6660.38995492 59762.71518307 -541 1.38545709 6519.75788759 58397.52132955 -542 1.38783757 6382.33553708 57065.86457989 -543 1.39021804 6248.04412334 55766.86338924 -544 1.39259852 6116.80693530 54499.66089363 -545 1.39497900 5988.54927295 53263.42417698 -546 1.39735947 5863.19839126 52057.34356116 -547 1.39973995 5740.68344563 50880.63191822 -548 1.40212042 5620.93543901 49732.52400416 -549 1.40450090 5503.88717061 48612.27581358 -550 1.40688138 5389.47318606 47519.16395428 -551 1.40926185 5277.62972907 46452.48504153 -552 1.41164233 5168.29469454 45411.55511096 -553 1.41402280 5061.40758293 44395.70904979 -554 1.41640328 4956.90945615 43404.30004564 -555 1.41878376 4854.74289454 42436.69905231 -556 1.42116423 4754.85195527 41492.29427213 -557 1.42354471 4657.18213183 40570.49065420 -558 1.42592519 4561.68031477 39670.70940809 -559 1.42830566 4468.29475354 38792.38753242 -560 1.43068614 4376.97501950 37934.97735794 -561 1.43306661 4287.67196987 37097.94610457 -562 1.43544709 4200.33771287 36280.77545194 -563 1.43782757 4114.92557378 35482.96112305 -564 1.44020804 4031.39006197 34704.01248061 -565 1.44258852 3949.68683892 33943.45213562 -566 1.44496899 3869.77268713 33200.81556785 -567 1.44734947 3791.60547994 32475.65075779 -568 1.44972995 3715.14415217 31767.51782971 -569 1.45211042 3640.34867166 31075.98870559 -570 1.45449090 3567.18001156 30400.64676931 -571 1.45687137 3495.60012346 29741.08654114 -572 1.45925185 3425.57191122 29096.91336183 -573 1.46163233 3357.05920564 28467.74308626 -574 1.46401280 3290.02673971 27853.20178627 -575 1.46639328 3224.44012469 27252.92546233 -576 1.46877375 3160.26582681 26666.55976382 -577 1.47115423 3097.47114458 26093.75971765 -578 1.47353471 3036.02418682 25534.18946495 -579 1.47591518 2975.89385128 24987.52200558 -580 1.47829566 2917.04980379 24453.43895019 -581 1.48067614 2859.46245813 23931.63027964 -582 1.48305661 2803.10295632 23421.79411150 -583 1.48543709 2747.94314954 22923.63647348 -584 1.48781756 2693.95557958 22436.87108350 -585 1.49019804 2641.11346077 21961.21913619 -586 1.49257852 2589.39066244 21496.40909574 -587 1.49495899 2538.76169187 21042.17649476 -588 1.49733947 2489.20167763 20598.26373902 -589 1.49971994 2440.68635355 20164.41991794 -590 1.50210042 2393.19204294 19740.40062052 -591 1.50448090 2346.69564338 19325.96775675 -592 1.50686137 2301.17461186 18920.88938411 -593 1.50924185 2256.60695036 18524.93953911 -594 1.51162232 2212.97119181 18137.89807378 -595 1.51400280 2170.24638641 17759.55049685 -596 1.51638328 2128.41208841 17389.68781946 -597 1.51876375 2087.44834312 17028.10640541 -598 1.52114423 2047.33567439 16674.60782569 -599 1.52352470 2008.05507236 16328.99871715 -600 1.52590518 1969.58798159 15991.09064527 -601 1.52828566 1931.91628946 15660.69997083 -602 1.53066613 1895.02231490 15337.64772046 -603 1.53304661 1858.88879749 15021.75946078 -604 1.53542709 1823.49888674 14712.86517621 -605 1.53780756 1788.83613175 14410.79915022 -606 1.54018804 1754.88447108 14115.39985000 -607 1.54256851 1721.62822297 13826.50981433 -608 1.54494899 1689.05207574 13543.97554469 -609 1.54732947 1657.14107852 13267.64739941 -610 1.54970994 1625.88063214 12997.37949086 -611 1.55209042 1595.25648037 12733.02958544 -612 1.55447089 1565.25470129 12474.45900654 -613 1.55685137 1535.86169897 12221.53254005 -614 1.55923185 1507.06419532 11974.11834267 -615 1.56161232 1478.84922217 11732.08785270 -616 1.56399280 1451.20411359 11495.31570336 -617 1.56637327 1424.11649833 11263.67963852 -618 1.56875375 1397.57429258 11037.06043082 -619 1.57113423 1371.56569280 10815.34180198 -620 1.57351470 1346.07916883 10598.41034543 -621 1.57589518 1321.10345711 10386.15545103 -622 1.57827566 1296.62755415 10178.46923185 -623 1.58065613 1272.64071009 9975.24645307 -624 1.58303661 1249.13242251 9776.38446274 -625 1.58541708 1226.09243034 9581.78312452 -626 1.58779756 1203.51070794 9391.34475227 -627 1.59017804 1181.37745937 9204.97404635 -628 1.59255851 1159.68311276 9022.57803184 -629 1.59493899 1138.41831488 8844.06599826 -630 1.59731946 1117.57392575 8669.34944109 -631 1.59969994 1097.14101356 8498.34200481 -632 1.60208042 1077.11084953 8330.95942754 -633 1.60446089 1057.47490303 8167.11948712 -634 1.60684137 1038.22483678 8006.74194875 -635 1.60922184 1019.35250220 7849.74851399 -636 1.61160232 1000.84993482 7696.06277115 -637 1.61398280 982.70934988 7545.61014706 -638 1.61636327 964.92313801 7398.31786008 -639 1.61874375 947.48386097 7254.11487445 -640 1.62112422 930.38424763 7112.93185582 -641 1.62350470 913.61718989 6974.70112802 -642 1.62588518 897.17573886 6839.35663092 -643 1.62826565 881.05310097 6706.83387953 -644 1.63064613 865.24263436 6577.06992410 -645 1.63302661 849.73784523 6450.00331132 -646 1.63540708 834.53238429 6325.57404659 -647 1.63778756 819.62004341 6203.72355724 -648 1.64016803 804.99475221 6084.39465676 -649 1.64254851 790.65057482 5967.53151002 -650 1.64492899 776.58170673 5853.07959931 -651 1.64730946 762.78247166 5740.98569138 -652 1.64968994 749.24731855 5631.19780534 -653 1.65207041 735.97081863 5523.66518133 -654 1.65445089 722.94766254 5418.33825013 -655 1.65683137 710.17265751 5315.16860349 -656 1.65921184 697.64072469 5214.10896526 -657 1.66159232 685.34689641 5115.11316330 -658 1.66397279 673.28631364 5018.13610211 -659 1.66635327 661.45422346 4923.13373618 -660 1.66873375 649.84597655 4830.06304405 -661 1.67111422 638.45702483 4738.88200301 -662 1.67349470 627.28291908 4649.54956452 -663 1.67587518 616.31930664 4562.02563022 -664 1.67825565 605.56192923 4476.27102859 -665 1.68063613 595.00662072 4392.24749221 -666 1.68301660 584.64930501 4309.91763558 -667 1.68539708 574.48599399 4229.24493361 -668 1.68777756 564.51278548 4150.19370054 -669 1.69015803 554.72586127 4072.72906948 -670 1.69253851 545.12148520 3996.81697249 -671 1.69491898 535.69600126 3922.42412110 -672 1.69729946 526.44583181 3849.51798745 -673 1.69967994 517.36747571 3778.06678575 -674 1.70206041 508.45750665 3708.03945438 -675 1.70444089 499.71257142 3639.40563837 -676 1.70682136 491.12938822 3572.13567228 -677 1.70920184 482.70474509 3506.20056364 -678 1.71158232 474.43549827 3441.57197671 -679 1.71396279 466.31857072 3378.22221668 -680 1.71634327 458.35095057 3316.12421431 -681 1.71872374 450.52968963 3255.25151091 -682 1.72110422 442.85190203 3195.57824372 -683 1.72348470 435.31476272 3137.07913168 -684 1.72586517 427.91550620 3079.72946151 -685 1.72824565 420.65142511 3023.50507421 -686 1.73062613 413.51986895 2968.38235184 -687 1.73300660 406.51824282 2914.33820467 -688 1.73538708 399.64400618 2861.35005860 -689 1.73776755 392.89467159 2809.39584301 -690 1.74014803 386.26780360 2758.45397877 -691 1.74252851 379.76101754 2708.50336667 -692 1.74490898 373.37197840 2659.52337605 -693 1.74728946 367.09839974 2611.49383377 -694 1.74966993 360.93804260 2564.39501347 -695 1.75205041 354.88871448 2518.20762501 -696 1.75443089 348.94826826 2472.91280426 -697 1.75681136 343.11460125 2428.49210313 -698 1.75919184 337.38565418 2384.92747980 -699 1.76157231 331.75941026 2342.20128921 -700 1.76395279 326.23389424 2300.29627385 -701 1.76633327 320.80717148 2259.19555468 -702 1.76871374 315.47734712 2218.88262233 -703 1.77109422 310.24256512 2179.34132852 -704 1.77347469 305.10100750 2140.55587764 -705 1.77585517 300.05089344 2102.51081862 -706 1.77823565 295.09047852 2065.19103693 -707 1.78061612 290.21805389 2028.58174677 -708 1.78299660 285.43194553 1992.66848353 -709 1.78537708 280.73051345 1957.43709636 -710 1.78775755 276.11215102 1922.87374095 -711 1.79013803 271.57528418 1888.96487245 -712 1.79251850 267.11837077 1855.69723866 -713 1.79489898 262.73989983 1823.05787324 -714 1.79727946 258.43839094 1791.03408923 -715 1.79965993 254.21239356 1759.61347261 -716 1.80204041 250.06048636 1728.78387611 -717 1.80442088 245.98127665 1698.53341309 -718 1.80680136 241.97339969 1668.85045161 -719 1.80918184 238.03551816 1639.72360866 -720 1.81156231 234.16632155 1611.14174448 -721 1.81394279 230.36452557 1583.09395704 -722 1.81632326 226.62887160 1555.56957669 -723 1.81870374 222.95812616 1528.55816085 -724 1.82108422 219.35108036 1502.04948892 -725 1.82346469 215.80654937 1476.03355725 -726 1.82584517 212.32337195 1450.50057426 -727 1.82822565 208.90040988 1425.44095567 -728 1.83060612 205.53654755 1400.84531983 -729 1.83298660 202.23069141 1376.70448318 -730 1.83536707 198.98176958 1353.00945581 -731 1.83774755 195.78873132 1329.75143712 -732 1.84012803 192.65054664 1306.92181160 -733 1.84250850 189.56620583 1284.51214468 -734 1.84488898 186.53471906 1262.51417871 -735 1.84726945 183.55511592 1240.91982901 -736 1.84964993 180.62644510 1219.72118004 -737 1.85203041 177.74777387 1198.91048163 -738 1.85441088 174.91818780 1178.48014531 -739 1.85679136 172.13679033 1158.42274073 -740 1.85917183 169.40270238 1138.73099219 -741 1.86155231 166.71506203 1119.39777517 -742 1.86393279 164.07302413 1100.41611304 -743 1.86631326 161.47575999 1081.77917380 -744 1.86869374 158.92245698 1063.48026685 -745 1.87107421 156.41231826 1045.51283995 -746 1.87345469 153.94456241 1027.87047613 -747 1.87583517 151.51842312 1010.54689074 -748 1.87821564 149.13314891 993.53592859 -749 1.88059612 146.78800279 976.83156104 -750 1.88297660 144.48226196 960.42788334 -751 1.88535707 142.21521755 944.31911182 -752 1.88773755 139.98617431 928.49958134 -753 1.89011802 137.79445033 912.96374268 -754 1.89249850 135.63937679 897.70616000 -755 1.89487898 133.52029766 882.72150842 -756 1.89725945 131.43656946 868.00457158 -757 1.89963993 129.38756102 853.55023934 -758 1.90202040 127.37265318 839.35350543 -759 1.90440088 125.39123860 825.40946522 -760 1.90678136 123.44272149 811.71331358 -761 1.90916183 121.52651736 798.26034267 -762 1.91154231 119.64205286 785.04593989 -763 1.91392278 117.78876546 772.06558582 -764 1.91630326 115.96610332 759.31485223 -765 1.91868374 114.17352500 746.78940011 -766 1.92106421 112.41049930 734.48497778 -767 1.92344469 110.67650506 722.39741903 -768 1.92582517 108.97103089 710.52264128 -769 1.92820564 107.29357507 698.85664378 -770 1.93058612 105.64364527 687.39550592 -771 1.93296659 104.02075843 676.13538548 -772 1.93534707 102.42444051 665.07251699 -773 1.93772755 100.85422638 654.20321009 -774 1.94010802 99.30965959 643.52384797 -775 1.94248850 97.79029220 633.03088575 -776 1.94486897 96.29568466 622.72084904 -777 1.94724945 94.82540557 612.59033239 -778 1.94962993 93.37903157 602.63599787 -779 1.95201040 91.95614719 592.85457364 -780 1.95439088 90.55634464 583.24285256 -781 1.95677135 89.17922369 573.79769084 -782 1.95915183 87.82439155 564.51600669 -783 1.96153231 86.49146265 555.39477906 -784 1.96391278 85.18005859 546.43104634 -785 1.96629326 83.88980790 537.62190511 -786 1.96867373 82.62034599 528.96450897 -787 1.97105421 81.37131497 520.45606729 -788 1.97343469 80.14236352 512.09384411 -789 1.97581516 78.93314677 503.87515697 -790 1.97819564 77.74332618 495.79737581 -791 1.98057612 76.57256941 487.85792187 -792 1.98295659 75.42055018 480.05426665 -793 1.98533707 74.28694821 472.38393085 -794 1.98771754 73.17144902 464.84448337 -795 1.99009802 72.07374388 457.43354030 -796 1.99247850 70.99352969 450.14876395 -797 1.99485897 69.93050884 442.98786194 -798 1.99723945 68.88438915 435.94858618 -799 1.99961992 67.85488371 429.02873206 -800 2.00200040 66.84171082 422.22613749 -801 2.00438088 65.84459389 415.53868205 -802 2.00676135 64.86326132 408.96428615 -803 2.00914183 63.89744639 402.50091017 -804 2.01152230 62.94688722 396.14655367 -805 2.01390278 62.01132664 389.89925459 -806 2.01628326 61.09051209 383.75708844 -807 2.01866373 60.18419556 377.71816756 -808 2.02104421 59.29213350 371.78064038 -809 2.02342468 58.41408670 365.94269067 -810 2.02580516 57.54982024 360.20253681 -811 2.02818564 56.69910343 354.55843115 -812 2.03056611 55.86170965 349.00865923 -813 2.03294659 55.03741637 343.55153922 -814 2.03532707 54.22600499 338.18542115 -815 2.03770754 53.42726082 332.90868637 -816 2.04008802 52.64097299 327.71974685 -817 2.04246849 51.86693435 322.61704458 -818 2.04484897 51.10494145 317.59905100 -819 2.04722945 50.35479443 312.66426636 -820 2.04960992 49.61629697 307.81121919 -821 2.05199040 48.88925622 303.03846570 -822 2.05437087 48.17348273 298.34458925 -823 2.05675135 47.46879041 293.72819979 -824 2.05913183 46.77499641 289.18793334 -825 2.06151230 46.09192114 284.72245147 -826 2.06389278 45.41938814 280.33044081 -827 2.06627325 44.75722404 276.01061251 -828 2.06865373 44.10525853 271.76170179 -829 2.07103421 43.46332428 267.58246744 -830 2.07341468 42.83125688 263.47169140 -831 2.07579516 42.20889478 259.42817822 -832 2.07817564 41.59607928 255.45075470 -833 2.08055611 40.99265443 251.53826940 -834 2.08293659 40.39846698 247.68959221 -835 2.08531706 39.81336637 243.90361398 -836 2.08769754 39.23720465 240.17924603 -837 2.09007802 38.66983642 236.51541982 -838 2.09245849 38.11111883 232.91108653 -839 2.09483897 37.56091149 229.36521665 -840 2.09721944 37.01907642 225.87679964 -841 2.09959992 36.48547804 222.44484354 -842 2.10198040 35.95998312 219.06837459 -843 2.10436087 35.44246071 215.74643693 -844 2.10674135 34.93278213 212.47809219 -845 2.10912182 34.43082088 209.26241919 -846 2.11150230 33.93645268 206.09851359 -847 2.11388278 33.44955534 202.98548755 -848 2.11626325 32.97000879 199.92246946 -849 2.11864373 32.49769502 196.90860357 -850 2.12102420 32.03249801 193.94304970 -851 2.12340468 31.57430375 191.02498297 -852 2.12578516 31.12300016 188.15359346 -853 2.12816563 30.67847708 185.32808594 -854 2.13054611 30.24062622 182.54767961 -855 2.13292659 29.80934113 179.81160777 -856 2.13530706 29.38451717 177.11911762 -857 2.13768754 28.96605148 174.46946993 -858 2.14006801 28.55384295 171.86193879 -859 2.14244849 28.14779215 169.29581141 -860 2.14482897 27.74780138 166.77038780 -861 2.14720944 27.35377456 164.28498056 -862 2.14958992 26.96561723 161.83891464 -863 2.15197039 26.58323653 159.43152709 -864 2.15435087 26.20654118 157.06216685 -865 2.15673135 25.83544140 154.73019450 -866 2.15911182 25.46984895 152.43498207 -867 2.16149230 25.10967706 150.17591278 -868 2.16387277 24.75484041 147.95238088 -869 2.16625325 24.40525512 145.76379139 -870 2.16863373 24.06083871 143.60955994 -871 2.17101420 23.72151006 141.48911254 -872 2.17339468 23.38718945 139.40188539 -873 2.17577516 23.05779843 137.34732470 -874 2.17815563 22.73325991 135.32488650 -875 2.18053611 22.41349805 133.33403643 -876 2.18291658 22.09843829 131.37424960 -877 2.18529706 21.78800729 129.44501039 -878 2.18767754 21.48213295 127.54581225 -879 2.19005801 21.18074434 125.67615760 -880 2.19243849 20.88377172 123.83555758 -881 2.19481896 20.59114649 122.02353196 -882 2.19719944 20.30280121 120.23960893 -883 2.19957992 20.01866953 118.48332497 -884 2.20196039 19.73868620 116.75422467 -885 2.20434087 19.46278704 115.05186060 -886 2.20672134 19.19090893 113.37579317 -887 2.20910182 18.92298978 111.72559046 -888 2.21148230 18.65896854 110.10082808 -889 2.21386277 18.39878515 108.50108906 -890 2.21624325 18.14238052 106.92596369 -891 2.21862372 17.88969654 105.37504936 -892 2.22100420 17.64067605 103.84795049 -893 2.22338468 17.39526282 102.34427835 -894 2.22576515 17.15340154 100.86365096 -895 2.22814563 16.91503781 99.40569296 -896 2.23052611 16.68011810 97.97003548 -897 2.23290658 16.44858975 96.55631602 -898 2.23528706 16.22040097 95.16417835 -899 2.23766753 15.99550080 93.79327239 -900 2.24004801 15.77383911 92.44325408 -901 2.24242849 15.55536658 91.11378529 -902 2.24480896 15.34003469 89.80453370 -903 2.24718944 15.12779571 88.51517271 -904 2.24956991 14.91860266 87.24538130 -905 2.25195039 14.71240934 85.99484399 -906 2.25433087 14.50917029 84.76325067 -907 2.25671134 14.30884077 83.55029655 -908 2.25909182 14.11137677 82.35568204 -909 2.26147229 13.91673498 81.17911267 -910 2.26385277 13.72487280 80.02029899 -911 2.26623325 13.53574830 78.87895648 -912 2.26861372 13.34932022 77.75480547 -913 2.27099420 13.16554797 76.64757103 -914 2.27337467 12.98439159 75.55698291 -915 2.27575515 12.80581179 74.48277543 -916 2.27813563 12.62976987 73.42468743 -917 2.28051610 12.45622777 72.38246216 -918 2.28289658 12.28514804 71.35584722 -919 2.28527706 12.11649381 70.34459446 -920 2.28765753 11.95022879 69.34845994 -921 2.29003801 11.78631730 68.36720381 -922 2.29241848 11.62472418 67.40059028 -923 2.29479896 11.46541487 66.44838750 -924 2.29717944 11.30835533 65.51036755 -925 2.29955991 11.15351207 64.58630631 -926 2.30194039 11.00085212 63.67598343 -927 2.30432086 10.85034303 62.77918226 -928 2.30670134 10.70195287 61.89568975 -929 2.30908182 10.55565022 61.02529645 -930 2.31146229 10.41140412 60.16779637 -931 2.31384277 10.26918414 59.32298700 -932 2.31622324 10.12896031 58.49066916 -933 2.31860372 9.99070311 57.67064703 -934 2.32098420 9.85438351 56.86272801 -935 2.32336467 9.71997292 56.06672273 -936 2.32574515 9.58744322 55.28244494 -937 2.32812563 9.45676669 54.50971151 -938 2.33050610 9.32791607 53.74834232 -939 2.33288658 9.20086452 52.99816023 -940 2.33526705 9.07558562 52.25899105 -941 2.33764753 8.95205336 51.53066345 -942 2.34002801 8.83024213 50.81300893 -943 2.34240848 8.71012672 50.10586177 -944 2.34478896 8.59168231 49.40905900 -945 2.34716943 8.47488447 48.72244028 -946 2.34954991 8.35970914 48.04584797 -947 2.35193039 8.24613265 47.37912696 -948 2.35431086 8.13413167 46.72212473 -949 2.35669134 8.02368326 46.07469124 -950 2.35907181 7.91476480 45.43667890 -951 2.36145229 7.80735404 44.80794254 -952 2.36383277 7.70142908 44.18833937 -953 2.36621324 7.59696833 43.57772893 -954 2.36859372 7.49395057 42.97597303 -955 2.37097419 7.39235486 42.38293576 -956 2.37335467 7.29216062 41.79848341 -957 2.37573515 7.19334757 41.22248444 -958 2.37811562 7.09589574 40.65480945 -959 2.38049610 6.99978547 40.09533114 -960 2.38287658 6.90499738 39.54392427 -961 2.38525705 6.81151243 39.00046564 -962 2.38763753 6.71931182 38.46483404 -963 2.39001800 6.62837707 37.93691020 -964 2.39239848 6.53868998 37.41657681 -965 2.39477896 6.45023261 36.90371842 -966 2.39715943 6.36298730 36.39822147 -967 2.39953991 6.27693666 35.89997421 -968 2.40192038 6.19206357 35.40886668 -969 2.40430086 6.10835116 34.92479071 -970 2.40668134 6.02578282 34.44763986 -971 2.40906181 5.94434219 33.97730939 -972 2.41144229 5.86401315 33.51369624 -973 2.41382276 5.78477983 33.05669900 -974 2.41620324 5.70662661 32.60621789 -975 2.41858372 5.62953809 32.16215472 -976 2.42096419 5.55349911 31.72441286 -977 2.42334467 5.47849474 31.29289723 -978 2.42572515 5.40451026 30.86751426 -979 2.42810562 5.33153119 30.44817188 -980 2.43048610 5.25954325 30.03477948 -981 2.43286657 5.18853239 29.62724787 -982 2.43524705 5.11848476 29.22548930 -983 2.43762753 5.04938672 28.82941740 -984 2.44000800 4.98122483 28.43894718 -985 2.44238848 4.91398587 28.05399499 -986 2.44476895 4.84765679 27.67447849 -987 2.44714943 4.78222475 27.30031665 -988 2.44952991 4.71767710 26.93142972 -989 2.45191038 4.65400138 26.56773922 -990 2.45429086 4.59118531 26.20916788 -991 2.45667133 4.52921678 25.85563967 -992 2.45905181 4.46808390 25.50707974 -993 2.46143229 4.40777491 25.16341443 -994 2.46381276 4.34827826 24.82457121 -995 2.46619324 4.28958255 24.49047873 -996 2.46857371 4.23167655 24.16106671 -997 2.47095419 4.17454920 23.83626601 -998 2.47333467 4.11818962 23.51600854 -999 2.47571514 4.06258706 23.20022730 -1000 2.47809562 4.00773095 22.88885632 -1001 2.48047610 3.95361086 22.58183067 -1002 2.48285657 3.90021653 22.27908641 -1003 2.48523705 3.84753785 21.98056062 -1004 2.48761752 3.79556484 21.68619134 -1005 2.48999800 3.74428768 21.39591759 -1006 2.49237848 3.69369670 21.10967932 -1007 2.49475895 3.64378235 20.82741743 -1008 2.49713943 3.59453525 20.54907371 -1009 2.49951990 3.54594613 20.27459088 -1010 2.50190038 3.49800587 20.00391252 -1011 2.50428086 3.45070548 19.73698310 -1012 2.50666133 3.40403611 19.47374793 -1013 2.50904181 3.35798901 19.21415319 -1014 2.51142228 3.31255560 18.95814587 -1015 2.51380276 3.26772738 18.70567377 -1016 2.51618324 3.22349601 18.45668551 -1017 2.51856371 3.17985326 18.21113050 -1018 2.52094419 3.13679101 17.96895890 -1019 2.52332466 3.09430126 17.73012167 -1020 2.52570514 3.05237614 17.49457051 -1021 2.52808562 3.01100788 17.26225783 -1022 2.53046609 2.97018882 17.03313682 -1023 2.53284657 2.92991143 16.80716135 -1024 2.53522705 2.89016827 16.58428599 -1025 2.53760752 2.85095201 16.36446604 -1026 2.53998800 2.81225544 16.14765744 -1027 2.54236847 2.77407143 15.93381683 -1028 2.54474895 2.73639298 15.72290150 -1029 2.54712943 2.69921316 15.51486938 -1030 2.54950990 2.66252517 15.30967905 -1031 2.55189038 2.62632229 15.10728972 -1032 2.55427085 2.59059790 14.90766121 -1033 2.55665133 2.55534547 14.71075396 -1034 2.55903181 2.52055857 14.51652900 -1035 2.56141228 2.48623087 14.32494795 -1036 2.56379276 2.45235611 14.13597301 -1037 2.56617323 2.41892814 13.94956696 -1038 2.56855371 2.38594088 13.76569313 -1039 2.57093419 2.35338835 13.58431541 -1040 2.57331466 2.32126465 13.40539822 -1041 2.57569514 2.28956397 13.22890654 -1042 2.57807562 2.25828056 13.05480586 -1043 2.58045609 2.22740879 12.88306219 -1044 2.58283657 2.19694308 12.71364204 -1045 2.58521704 2.16687793 12.54651245 -1046 2.58759752 2.13720794 12.38164092 -1047 2.58997800 2.10792776 12.21899546 -1048 2.59235847 2.07903214 12.05854456 -1049 2.59473895 2.05051589 11.90025717 -1050 2.59711942 2.02237390 11.74410269 -1051 2.59949990 1.99460111 11.59005101 -1052 2.60188038 1.96719257 11.43807245 -1053 2.60426085 1.94014338 11.28813776 -1054 2.60664133 1.91344869 11.14021815 -1055 2.60902180 1.88710375 10.99428525 -1056 2.61140228 1.86110387 10.85031110 -1057 2.61378276 1.83544441 10.70826816 -1058 2.61616323 1.81012081 10.56812930 -1059 2.61854371 1.78512856 10.42986781 -1060 2.62092418 1.76046324 10.29345734 -1061 2.62330466 1.73612045 10.15887196 -1062 2.62568514 1.71209590 10.02608610 -1063 2.62806561 1.68838533 9.89507458 -1064 2.63044609 1.66498454 9.76581261 -1065 2.63282657 1.64188939 9.63827572 -1066 2.63520704 1.61909582 9.51243984 -1067 2.63758752 1.59659979 9.38828124 -1068 2.63996799 1.57439735 9.26577653 -1069 2.64234847 1.55248458 9.14490268 -1070 2.64472895 1.53085763 9.02563700 -1071 2.64710942 1.50951269 8.90795711 -1072 2.64948990 1.48844603 8.79184097 -1073 2.65187037 1.46765394 8.67726688 -1074 2.65425085 1.44713277 8.56421343 -1075 2.65663133 1.42687894 8.45265953 -1076 2.65901180 1.40688889 8.34258442 -1077 2.66139228 1.38715913 8.23396761 -1078 2.66377275 1.36768622 8.12678894 -1079 2.66615323 1.34846675 8.02102851 -1080 2.66853371 1.32949738 7.91666674 -1081 2.67091418 1.31077479 7.81368433 -1082 2.67329466 1.29229572 7.71206223 -1083 2.67567514 1.27405696 7.61178172 -1084 2.67805561 1.25605534 7.51282429 -1085 2.68043609 1.23828773 7.41517176 -1086 2.68281656 1.22075104 7.31880617 -1087 2.68519704 1.20344224 7.22370983 -1088 2.68757752 1.18635831 7.12986531 -1089 2.68995799 1.16949631 7.03725544 -1090 2.69233847 1.15285331 6.94586328 -1091 2.69471894 1.13642643 6.85567215 -1092 2.69709942 1.12021284 6.76666560 -1093 2.69947990 1.10420974 6.67882742 -1094 2.70186037 1.08841435 6.59214165 -1095 2.70424085 1.07282396 6.50659252 -1096 2.70662132 1.05743588 6.42216453 -1097 2.70900180 1.04224747 6.33884237 -1098 2.71138228 1.02725609 6.25661097 -1099 2.71376275 1.01245919 6.17545547 -1100 2.71614323 0.99785420 6.09536122 -1101 2.71852370 0.98343863 6.01631377 -1102 2.72090418 0.96921000 5.93829891 -1103 2.72328466 0.95516587 5.86130260 -1104 2.72566513 0.94130382 5.78531101 -1105 2.72804561 0.92762149 5.71031052 -1106 2.73042609 0.91411653 5.63628768 -1107 2.73280656 0.90078663 5.56322924 -1108 2.73518704 0.88762951 5.49112217 -1109 2.73756751 0.87464292 5.41995357 -1110 2.73994799 0.86182463 5.34971077 -1111 2.74232847 0.84917247 5.28038126 -1112 2.74470894 0.83668428 5.21195270 -1113 2.74708942 0.82435791 5.14441295 -1114 2.74946989 0.81219128 5.07775001 -1115 2.75185037 0.80018230 5.01195208 -1116 2.75423085 0.78832894 4.94700751 -1117 2.75661132 0.77662917 4.88290481 -1118 2.75899180 0.76508100 4.81963268 -1119 2.76137227 0.75368247 4.75717994 -1120 2.76375275 0.74243165 4.69553559 -1121 2.76613323 0.73132662 4.63468880 -1122 2.76851370 0.72036550 4.57462886 -1123 2.77089418 0.70954642 4.51534522 -1124 2.77327465 0.69886755 4.45682751 -1125 2.77565513 0.68832707 4.39906545 -1126 2.77803561 0.67792321 4.34204896 -1127 2.78041608 0.66765420 4.28576805 -1128 2.78279656 0.65751830 4.23021292 -1129 2.78517704 0.64751379 4.17537387 -1130 2.78755751 0.63763898 4.12124136 -1131 2.78993799 0.62789221 4.06780595 -1132 2.79231846 0.61827181 4.01505838 -1133 2.79469894 0.60877617 3.96298948 -1134 2.79707942 0.59940367 3.91159022 -1135 2.79945989 0.59015275 3.86085170 -1136 2.80184037 0.58102183 3.81076514 -1137 2.80422084 0.57200937 3.76132190 -1138 2.80660132 0.56311385 3.71251342 -1139 2.80898180 0.55433377 3.66433129 -1140 2.81136227 0.54566765 3.61676721 -1141 2.81374275 0.53711403 3.56981301 -1142 2.81612322 0.52867147 3.52346059 -1143 2.81850370 0.52033853 3.47770202 -1144 2.82088418 0.51211383 3.43252943 -1145 2.82326465 0.50399597 3.38793509 -1146 2.82564513 0.49598358 3.34391136 -1147 2.82802561 0.48807532 3.30045071 -1148 2.83040608 0.48026985 3.25754573 -1149 2.83278656 0.47256586 3.21518908 -1150 2.83516703 0.46496206 3.17337355 -1151 2.83754751 0.45745716 3.13209201 -1152 2.83992799 0.45004990 3.09133745 -1153 2.84230846 0.44273904 3.05110294 -1154 2.84468894 0.43552334 3.01138164 -1155 2.84706941 0.42840159 2.97216682 -1156 2.84944989 0.42137260 2.93345183 -1157 2.85183037 0.41443518 2.89523012 -1158 2.85421084 0.40758816 2.85749522 -1159 2.85659132 0.40083040 2.82024077 -1160 2.85897179 0.39416075 2.78346046 -1161 2.86135227 0.38757810 2.74714811 -1162 2.86373275 0.38108134 2.71129759 -1163 2.86611322 0.37466938 2.67590287 -1164 2.86849370 0.36834114 2.64095799 -1165 2.87087417 0.36209556 2.60645710 -1166 2.87325465 0.35593158 2.57239439 -1167 2.87563513 0.34984817 2.53876416 -1168 2.87801560 0.34384430 2.50556077 -1169 2.88039608 0.33791898 2.47277866 -1170 2.88277656 0.33207119 2.44041237 -1171 2.88515703 0.32629996 2.40845647 -1172 2.88753751 0.32060432 2.37690563 -1173 2.88991798 0.31498331 2.34575460 -1174 2.89229846 0.30943599 2.31499819 -1175 2.89467894 0.30396141 2.28463127 -1176 2.89705941 0.29855866 2.25464880 -1177 2.89943989 0.29322683 2.22504579 -1178 2.90182036 0.28796503 2.19581732 -1179 2.90420084 0.28277236 2.16695856 -1180 2.90658132 0.27764795 2.13846472 -1181 2.90896179 0.27259094 2.11033108 -1182 2.91134227 0.26760048 2.08255299 -1183 2.91372274 0.26267573 2.05512585 -1184 2.91610322 0.25781585 2.02804513 -1185 2.91848370 0.25302003 2.00130637 -1186 2.92086417 0.24828746 1.97490516 -1187 2.92324465 0.24361734 1.94883714 -1188 2.92562513 0.23900888 1.92309804 -1189 2.92800560 0.23446130 1.89768360 -1190 2.93038608 0.22997384 1.87258966 -1191 2.93276655 0.22554574 1.84781210 -1192 2.93514703 0.22117625 1.82334684 -1193 2.93752751 0.21686463 1.79918989 -1194 2.93990798 0.21261015 1.77533727 -1195 2.94228846 0.20841210 1.75178510 -1196 2.94466893 0.20426975 1.72852950 -1197 2.94704941 0.20018242 1.70556669 -1198 2.94942989 0.19614940 1.68289291 -1199 2.95181036 0.19217002 1.66050446 -1200 2.95419084 0.18824360 1.63839769 -1201 2.95657131 0.18436946 1.61656900 -1202 2.95895179 0.18054697 1.59501484 -1203 2.96133227 0.17677546 1.57373168 -1204 2.96371274 0.17305430 1.55271609 -1205 2.96609322 0.16938284 1.53196463 -1206 2.96847369 0.16576048 1.51147395 -1207 2.97085417 0.16218658 1.49124071 -1208 2.97323465 0.15866055 1.47126164 -1209 2.97561512 0.15518178 1.45153350 -1210 2.97799560 0.15174967 1.43205309 -1211 2.98037608 0.14836365 1.41281726 -1212 2.98275655 0.14502313 1.39382290 -1213 2.98513703 0.14172754 1.37506694 -1214 2.98751750 0.13847631 1.35654636 -1215 2.98989798 0.13526890 1.33825816 -1216 2.99227846 0.13210475 1.32019939 -1217 2.99465893 0.12898331 1.30236714 -1218 2.99703941 0.12590406 1.28475855 -1219 2.99941988 0.12286646 1.26737077 -1220 3.00180036 0.11987000 1.25020102 -1221 3.00418084 0.11691415 1.23324651 -1222 3.00656131 0.11399840 1.21650455 -1223 3.00894179 0.11112226 1.19997243 -1224 3.01132226 0.10828522 1.18364750 -1225 3.01370274 0.10548681 1.16752714 -1226 3.01608322 0.10272652 1.15160877 -1227 3.01846369 0.10000389 1.13588985 -1228 3.02084417 0.09731845 1.12036784 -1229 3.02322464 0.09466972 1.10504027 -1230 3.02560512 0.09205725 1.08990469 -1231 3.02798560 0.08948059 1.07495867 -1232 3.03036607 0.08693928 1.06019984 -1233 3.03274655 0.08443288 1.04562582 -1234 3.03512703 0.08196096 1.03123430 -1235 3.03750750 0.07952308 1.01702298 -1236 3.03988798 0.07711882 1.00298959 -1237 3.04226845 0.07474776 0.98913190 -1238 3.04464893 0.07240947 0.97544770 -1239 3.04702941 0.07010356 0.96193481 -1240 3.04940988 0.06782961 0.94859108 -1241 3.05179036 0.06558723 0.93541439 -1242 3.05417083 0.06337602 0.92240264 -1243 3.05655131 0.06119559 0.90955377 -1244 3.05893179 0.05904555 0.89686573 -1245 3.06131226 0.05692553 0.88433651 -1246 3.06369274 0.05483514 0.87196413 -1247 3.06607321 0.05277402 0.85974661 -1248 3.06845369 0.05074181 0.84768202 -1249 3.07083417 0.04873813 0.83576845 -1250 3.07321464 0.04676263 0.82400401 -1251 3.07559512 0.04481497 0.81238684 -1252 3.07797560 0.04289478 0.80091510 -1253 3.08035607 0.04100174 0.78958697 -1254 3.08273655 0.03913549 0.77840066 -1255 3.08511702 0.03729570 0.76735440 -1256 3.08749750 0.03548204 0.75644645 -1257 3.08987798 0.03369418 0.74567508 -1258 3.09225845 0.03193181 0.73503859 -1259 3.09463893 0.03019459 0.72453529 -1260 3.09701940 0.02848223 0.71416354 -1261 3.09939988 0.02679439 0.70392169 -1262 3.10178036 0.02513079 0.69380813 -1263 3.10416083 0.02349110 0.68382127 -1264 3.10654131 0.02187505 0.67395952 -1265 3.10892178 0.02028232 0.66422133 -1266 3.11130226 0.01871262 0.65460517 -1267 3.11368274 0.01716568 0.64510953 -1268 3.11606321 0.01564119 0.63573290 -1269 3.11844369 0.01413889 0.62647381 -1270 3.12082416 0.01265849 0.61733081 -1271 3.12320464 0.01119972 0.60830245 -1272 3.12558512 0.00976230 0.59938730 -1273 3.12796559 0.00834597 0.59058398 -1274 3.13034607 0.00695047 0.58189110 -1275 3.13272655 0.00557553 0.57330728 -1276 3.13510702 0.00422090 0.56483117 -1277 3.13748750 0.00288631 0.55646145 -1278 3.13986797 0.00157153 0.54819680 -1279 3.14224845 0.00027629 0.54003592 -1280 3.14462893 -0.00099964 0.53197752 -1281 3.14700940 -0.00225651 0.52402034 -1282 3.14938988 -0.00349455 0.51616314 -1283 3.15177035 -0.00471401 0.50840467 -1284 3.15415083 -0.00591512 0.50074371 -1285 3.15653131 -0.00709811 0.49317907 -1286 3.15891178 -0.00826320 0.48570955 -1287 3.16129226 -0.00941062 0.47833398 -1288 3.16367273 -0.01054060 0.47105121 -1289 3.16605321 -0.01165335 0.46386009 -1290 3.16843369 -0.01274909 0.45675949 -1291 3.17081416 -0.01382803 0.44974829 -1292 3.17319464 -0.01489039 0.44282539 -1293 3.17557512 -0.01593637 0.43598972 -1294 3.17795559 -0.01696618 0.42924019 -1295 3.18033607 -0.01798003 0.42257574 -1296 3.18271654 -0.01897811 0.41599533 -1297 3.18509702 -0.01996063 0.40949792 -1298 3.18747750 -0.02092777 0.40308250 -1299 3.18985797 -0.02187975 0.39674806 -1300 3.19223845 -0.02281674 0.39049359 -1301 3.19461892 -0.02373893 0.38431813 -1302 3.19699940 -0.02464652 0.37822069 -1303 3.19937988 -0.02553968 0.37220033 -1304 3.20176035 -0.02641861 0.36625609 -1305 3.20414083 -0.02728347 0.36038705 -1306 3.20652130 -0.02813445 0.35459227 -1307 3.20890178 -0.02897173 0.34887085 -1308 3.21128226 -0.02979547 0.34322189 -1309 3.21366273 -0.03060585 0.33764451 -1310 3.21604321 -0.03140303 0.33213781 -1311 3.21842368 -0.03218719 0.32670095 -1312 3.22080416 -0.03295849 0.32133305 -1313 3.22318464 -0.03371710 0.31603329 -1314 3.22556511 -0.03446317 0.31080082 -1315 3.22794559 -0.03519686 0.30563482 -1316 3.23032607 -0.03591833 0.30053448 -1317 3.23270654 -0.03662774 0.29549899 -1318 3.23508702 -0.03732524 0.29052756 -1319 3.23746749 -0.03801098 0.28561941 -1320 3.23984797 -0.03868511 0.28077377 -1321 3.24222845 -0.03934778 0.27598986 -1322 3.24460892 -0.03999913 0.27126694 -1323 3.24698940 -0.04063931 0.26660426 -1324 3.24936987 -0.04126847 0.26200109 -1325 3.25175035 -0.04188674 0.25745669 -1326 3.25413083 -0.04249425 0.25297035 -1327 3.25651130 -0.04309116 0.24854137 -1328 3.25889178 -0.04367759 0.24416903 -1329 3.26127225 -0.04425368 0.23985266 -1330 3.26365273 -0.04481956 0.23559156 -1331 3.26603321 -0.04537537 0.23138506 -1332 3.26841368 -0.04592122 0.22723250 -1333 3.27079416 -0.04645725 0.22313322 -1334 3.27317463 -0.04698359 0.21908657 -1335 3.27555511 -0.04750035 0.21509191 -1336 3.27793559 -0.04800767 0.21114860 -1337 3.28031606 -0.04850566 0.20725602 -1338 3.28269654 -0.04899445 0.20341355 -1339 3.28507702 -0.04947414 0.19962058 -1340 3.28745749 -0.04994487 0.19587650 -1341 3.28983797 -0.05040674 0.19218073 -1342 3.29221844 -0.05085987 0.18853266 -1343 3.29459892 -0.05130437 0.18493173 -1344 3.29697940 -0.05174036 0.18137736 -1345 3.29935987 -0.05216794 0.17786898 -1346 3.30174035 -0.05258722 0.17440603 -1347 3.30412082 -0.05299831 0.17098796 -1348 3.30650130 -0.05340132 0.16761422 -1349 3.30888178 -0.05379635 0.16428427 -1350 3.31126225 -0.05418351 0.16099759 -1351 3.31364273 -0.05456289 0.15775363 -1352 3.31602320 -0.05493460 0.15455190 -1353 3.31840368 -0.05529873 0.15139186 -1354 3.32078416 -0.05565540 0.14827301 -1355 3.32316463 -0.05600469 0.14519486 -1356 3.32554511 -0.05634670 0.14215690 -1357 3.32792559 -0.05668152 0.13915866 -1358 3.33030606 -0.05700926 0.13619964 -1359 3.33268654 -0.05732999 0.13327936 -1360 3.33506701 -0.05764382 0.13039737 -1361 3.33744749 -0.05795084 0.12755319 -1362 3.33982797 -0.05825113 0.12474636 -1363 3.34220844 -0.05854478 0.12197643 -1364 3.34458892 -0.05883188 0.11924296 -1365 3.34696939 -0.05911252 0.11654549 -1366 3.34934987 -0.05938677 0.11388359 -1367 3.35173035 -0.05965474 0.11125683 -1368 3.35411082 -0.05991649 0.10866478 -1369 3.35649130 -0.06017211 0.10610702 -1370 3.35887177 -0.06042169 0.10358313 -1371 3.36125225 -0.06066529 0.10109270 -1372 3.36363273 -0.06090301 0.09863533 -1373 3.36601320 -0.06113492 0.09621061 -1374 3.36839368 -0.06136109 0.09381815 -1375 3.37077415 -0.06158161 0.09145755 -1376 3.37315463 -0.06179654 0.08912843 -1377 3.37553511 -0.06200597 0.08683040 -1378 3.37791558 -0.06220996 0.08456309 -1379 3.38029606 -0.06240859 0.08232612 -1380 3.38267654 -0.06260194 0.08011913 -1381 3.38505701 -0.06279006 0.07794175 -1382 3.38743749 -0.06297304 0.07579362 -1383 3.38981796 -0.06315093 0.07367439 -1384 3.39219844 -0.06332382 0.07158370 -1385 3.39457892 -0.06349176 0.06952121 -1386 3.39695939 -0.06365483 0.06748658 -1387 3.39933987 -0.06381308 0.06547946 -1388 3.40172034 -0.06396659 0.06349952 -1389 3.40410082 -0.06411542 0.06154644 -1390 3.40648130 -0.06425964 0.05961988 -1391 3.40886177 -0.06439929 0.05771952 -1392 3.41124225 -0.06453446 0.05584505 -1393 3.41362272 -0.06466519 0.05399614 -1394 3.41600320 -0.06479155 0.05217250 -1395 3.41838368 -0.06491360 0.05037381 -1396 3.42076415 -0.06503140 0.04859976 -1397 3.42314463 -0.06514500 0.04685006 -1398 3.42552511 -0.06525447 0.04512442 -1399 3.42790558 -0.06535985 0.04342254 -1400 3.43028606 -0.06546122 0.04174412 -1401 3.43266653 -0.06555861 0.04008889 -1402 3.43504701 -0.06565210 0.03845657 -1403 3.43742749 -0.06574172 0.03684687 -1404 3.43980796 -0.06582754 0.03525951 -1405 3.44218844 -0.06590961 0.03369424 -1406 3.44456891 -0.06598797 0.03215077 -1407 3.44694939 -0.06606269 0.03062884 -1408 3.44932987 -0.06613381 0.02912820 -1409 3.45171034 -0.06620139 0.02764857 -1410 3.45409082 -0.06626546 0.02618971 -1411 3.45647129 -0.06632609 0.02475136 -1412 3.45885177 -0.06638332 0.02333327 -1413 3.46123225 -0.06643720 0.02193520 -1414 3.46361272 -0.06648777 0.02055689 -1415 3.46599320 -0.06653508 0.01919812 -1416 3.46837367 -0.06657918 0.01785864 -1417 3.47075415 -0.06662012 0.01653821 -1418 3.47313463 -0.06665794 0.01523661 -1419 3.47551510 -0.06669268 0.01395360 -1420 3.47789558 -0.06672438 0.01268896 -1421 3.48027606 -0.06675310 0.01144245 -1422 3.48265653 -0.06677888 0.01021387 -1423 3.48503701 -0.06680174 0.00900300 -1424 3.48741748 -0.06682175 0.00780960 -1425 3.48979796 -0.06683894 0.00663348 -1426 3.49217844 -0.06685335 0.00547442 -1427 3.49455891 -0.06686502 0.00433221 -1428 3.49693939 -0.06687399 0.00320665 -1429 3.49931986 -0.06688030 0.00209753 -1430 3.50170034 -0.06688398 0.00100465 -1431 3.50408082 -0.06688509 -0.00007219 -1432 3.50646129 -0.06688365 -0.00113318 -1433 3.50884177 -0.06687971 -0.00217852 -1434 3.51122224 -0.06687329 -0.00320840 -1435 3.51360272 -0.06686445 -0.00422301 -1436 3.51598320 -0.06685320 -0.00522254 -1437 3.51836367 -0.06683959 -0.00620717 -1438 3.52074415 -0.06682366 -0.00717708 -1439 3.52312462 -0.06680544 -0.00813247 -1440 3.52550510 -0.06678495 -0.00907349 -1441 3.52788558 -0.06676225 -0.01000033 -1442 3.53026605 -0.06673735 -0.01091317 -1443 3.53264653 -0.06671030 -0.01181218 -1444 3.53502701 -0.06668113 -0.01269752 -1445 3.53740748 -0.06664986 -0.01356937 -1446 3.53978796 -0.06661653 -0.01442789 -1447 3.54216843 -0.06658118 -0.01527324 -1448 3.54454891 -0.06654383 -0.01610560 -1449 3.54692939 -0.06650451 -0.01692510 -1450 3.54930986 -0.06646326 -0.01773193 -1451 3.55169034 -0.06642010 -0.01852623 -1452 3.55407081 -0.06637507 -0.01930815 -1453 3.55645129 -0.06632819 -0.02007785 -1454 3.55883177 -0.06627949 -0.02083549 -1455 3.56121224 -0.06622900 -0.02158120 -1456 3.56359272 -0.06617675 -0.02231514 -1457 3.56597319 -0.06612277 -0.02303746 -1458 3.56835367 -0.06606708 -0.02374829 -1459 3.57073415 -0.06600971 -0.02444778 -1460 3.57311462 -0.06595069 -0.02513606 -1461 3.57549510 -0.06589005 -0.02581329 -1462 3.57787558 -0.06582781 -0.02647959 -1463 3.58025605 -0.06576399 -0.02713510 -1464 3.58263653 -0.06569862 -0.02777995 -1465 3.58501700 -0.06563174 -0.02841429 -1466 3.58739748 -0.06556335 -0.02903823 -1467 3.58977796 -0.06549350 -0.02965190 -1468 3.59215843 -0.06542219 -0.03025544 -1469 3.59453891 -0.06534946 -0.03084897 -1470 3.59691938 -0.06527533 -0.03143262 -1471 3.59929986 -0.06519982 -0.03200651 -1472 3.60168034 -0.06512295 -0.03257075 -1473 3.60406081 -0.06504476 -0.03312548 -1474 3.60644129 -0.06496525 -0.03367080 -1475 3.60882176 -0.06488446 -0.03420684 -1476 3.61120224 -0.06480240 -0.03473372 -1477 3.61358272 -0.06471910 -0.03525154 -1478 3.61596319 -0.06463458 -0.03576042 -1479 3.61834367 -0.06454886 -0.03626047 -1480 3.62072414 -0.06446195 -0.03675181 -1481 3.62310462 -0.06437389 -0.03723454 -1482 3.62548510 -0.06428469 -0.03770877 -1483 3.62786557 -0.06419437 -0.03817461 -1484 3.63024605 -0.06410295 -0.03863216 -1485 3.63262653 -0.06401045 -0.03908153 -1486 3.63500700 -0.06391689 -0.03952282 -1487 3.63738748 -0.06382229 -0.03995613 -1488 3.63976795 -0.06372666 -0.04038156 -1489 3.64214843 -0.06363004 -0.04079922 -1490 3.64452891 -0.06353243 -0.04120919 -1491 3.64690938 -0.06343385 -0.04161158 -1492 3.64928986 -0.06333432 -0.04200649 -1493 3.65167033 -0.06323386 -0.04239400 -1494 3.65405081 -0.06313249 -0.04277421 -1495 3.65643129 -0.06303022 -0.04314722 -1496 3.65881176 -0.06292708 -0.04351312 -1497 3.66119224 -0.06282307 -0.04387198 -1498 3.66357271 -0.06271821 -0.04422392 -1499 3.66595319 -0.06261252 -0.04456901 -1500 3.66833367 -0.06250602 -0.04490733 -1501 3.67071414 -0.06239873 -0.04523899 -1502 3.67309462 -0.06229065 -0.04556405 -1503 3.67547510 -0.06218180 -0.04588261 -1504 3.67785557 -0.06207221 -0.04619476 -1505 3.68023605 -0.06196188 -0.04650056 -1506 3.68261652 -0.06185083 -0.04680010 -1507 3.68499700 -0.06173907 -0.04709347 -1508 3.68737748 -0.06162662 -0.04738074 -1509 3.68975795 -0.06151350 -0.04766198 -1510 3.69213843 -0.06139971 -0.04793729 -1511 3.69451890 -0.06128527 -0.04820673 -1512 3.69689938 -0.06117020 -0.04847038 -1513 3.69927986 -0.06105451 -0.04872831 -1514 3.70166033 -0.06093822 -0.04898060 -1515 3.70404081 -0.06082132 -0.04922732 -1516 3.70642128 -0.06070385 -0.04946855 -1517 3.70880176 -0.06058581 -0.04970435 -1518 3.71118224 -0.06046722 -0.04993479 -1519 3.71356271 -0.06034808 -0.05015995 -1520 3.71594319 -0.06022841 -0.05037989 -1521 3.71832366 -0.06010823 -0.05059468 -1522 3.72070414 -0.05998754 -0.05080439 -1523 3.72308462 -0.05986635 -0.05100908 -1524 3.72546509 -0.05974469 -0.05120882 -1525 3.72784557 -0.05962255 -0.05140368 -1526 3.73022605 -0.05949996 -0.05159371 -1527 3.73260652 -0.05937692 -0.05177899 -1528 3.73498700 -0.05925345 -0.05195957 -1529 3.73736747 -0.05912955 -0.05213551 -1530 3.73974795 -0.05900524 -0.05230688 -1531 3.74212843 -0.05888052 -0.05247374 -1532 3.74450890 -0.05875541 -0.05263615 -1533 3.74688938 -0.05862993 -0.05279416 -1534 3.74926985 -0.05850407 -0.05294783 -1535 3.75165033 -0.05837785 -0.05309723 -1536 3.75403081 -0.05825128 -0.05324240 -1537 3.75641128 -0.05812437 -0.05338340 -1538 3.75879176 -0.05799713 -0.05352030 -1539 3.76117223 -0.05786956 -0.05365314 -1540 3.76355271 -0.05774169 -0.05378197 -1541 3.76593319 -0.05761351 -0.05390686 -1542 3.76831366 -0.05748504 -0.05402785 -1543 3.77069414 -0.05735629 -0.05414500 -1544 3.77307461 -0.05722726 -0.05425836 -1545 3.77545509 -0.05709797 -0.05436798 -1546 3.77783557 -0.05696842 -0.05447390 -1547 3.78021604 -0.05683863 -0.05457619 -1548 3.78259652 -0.05670859 -0.05467488 -1549 3.78497700 -0.05657833 -0.05477003 -1550 3.78735747 -0.05644784 -0.05486169 -1551 3.78973795 -0.05631714 -0.05494990 -1552 3.79211842 -0.05618623 -0.05503471 -1553 3.79449890 -0.05605512 -0.05511616 -1554 3.79687938 -0.05592382 -0.05519431 -1555 3.79925985 -0.05579235 -0.05526919 -1556 3.80164033 -0.05566069 -0.05534086 -1557 3.80402080 -0.05552887 -0.05540935 -1558 3.80640128 -0.05539689 -0.05547471 -1559 3.80878176 -0.05526476 -0.05553698 -1560 3.81116223 -0.05513249 -0.05559621 -1561 3.81354271 -0.05500007 -0.05565243 -1562 3.81592318 -0.05486753 -0.05570570 -1563 3.81830366 -0.05473486 -0.05575604 -1564 3.82068414 -0.05460208 -0.05580350 -1565 3.82306461 -0.05446919 -0.05584813 -1566 3.82544509 -0.05433619 -0.05588996 -1567 3.82782557 -0.05420310 -0.05592902 -1568 3.83020604 -0.05406992 -0.05596536 -1569 3.83258652 -0.05393666 -0.05599903 -1570 3.83496699 -0.05380331 -0.05603004 -1571 3.83734747 -0.05366990 -0.05605845 -1572 3.83972795 -0.05353642 -0.05608428 -1573 3.84210842 -0.05340289 -0.05610758 -1574 3.84448890 -0.05326930 -0.05612838 -1575 3.84686937 -0.05313567 -0.05614672 -1576 3.84924985 -0.05300199 -0.05616263 -1577 3.85163033 -0.05286828 -0.05617615 -1578 3.85401080 -0.05273454 -0.05618730 -1579 3.85639128 -0.05260078 -0.05619614 -1580 3.85877175 -0.05246700 -0.05620268 -1581 3.86115223 -0.05233320 -0.05620696 -1582 3.86353271 -0.05219940 -0.05620901 -1583 3.86591318 -0.05206559 -0.05620888 -1584 3.86829366 -0.05193179 -0.05620658 -1585 3.87067413 -0.05179800 -0.05620215 -1586 3.87305461 -0.05166422 -0.05619562 -1587 3.87543509 -0.05153046 -0.05618702 -1588 3.87781556 -0.05139672 -0.05617639 -1589 3.88019604 -0.05126300 -0.05616375 -1590 3.88257652 -0.05112932 -0.05614913 -1591 3.88495699 -0.05099568 -0.05613256 -1592 3.88733747 -0.05086208 -0.05611407 -1593 3.88971794 -0.05072853 -0.05609370 -1594 3.89209842 -0.05059502 -0.05607145 -1595 3.89447890 -0.05046158 -0.05604738 -1596 3.89685937 -0.05032819 -0.05602150 -1597 3.89923985 -0.05019486 -0.05599383 -1598 3.90162032 -0.05006160 -0.05596442 -1599 3.90400080 -0.04992842 -0.05593328 -1600 3.90638128 -0.04979531 -0.05590043 -1601 3.90876175 -0.04966228 -0.05586592 -1602 3.91114223 -0.04952934 -0.05582975 -1603 3.91352270 -0.04939648 -0.05579197 -1604 3.91590318 -0.04926371 -0.05575258 -1605 3.91828366 -0.04913105 -0.05571162 -1606 3.92066413 -0.04899848 -0.05566912 -1607 3.92304461 -0.04886601 -0.05562509 -1608 3.92542509 -0.04873365 -0.05557955 -1609 3.92780556 -0.04860140 -0.05553255 -1610 3.93018604 -0.04846926 -0.05548408 -1611 3.93256651 -0.04833724 -0.05543419 -1612 3.93494699 -0.04820534 -0.05538289 -1613 3.93732747 -0.04807357 -0.05533020 -1614 3.93970794 -0.04794192 -0.05527615 -1615 3.94208842 -0.04781040 -0.05522076 -1616 3.94446889 -0.04767902 -0.05516405 -1617 3.94684937 -0.04754777 -0.05510604 -1618 3.94922985 -0.04741666 -0.05504675 -1619 3.95161032 -0.04728570 -0.05498620 -1620 3.95399080 -0.04715488 -0.05492442 -1621 3.95637127 -0.04702420 -0.05486143 -1622 3.95875175 -0.04689368 -0.05479723 -1623 3.96113223 -0.04676332 -0.05473187 -1624 3.96351270 -0.04663311 -0.05466534 -1625 3.96589318 -0.04650306 -0.05459768 -1626 3.96827365 -0.04637317 -0.05452890 -1627 3.97065413 -0.04624345 -0.05445903 -1628 3.97303461 -0.04611390 -0.05438807 -1629 3.97541508 -0.04598451 -0.05431605 -1630 3.97779556 -0.04585530 -0.05424299 -1631 3.98017604 -0.04572627 -0.05416890 -1632 3.98255651 -0.04559741 -0.05409381 -1633 3.98493699 -0.04546873 -0.05401772 -1634 3.98731746 -0.04534023 -0.05394066 -1635 3.98969794 -0.04521192 -0.05386265 -1636 3.99207842 -0.04508380 -0.05378370 -1637 3.99445889 -0.04495586 -0.05370382 -1638 3.99683937 -0.04482811 -0.05362304 -1639 3.99921984 -0.04470056 -0.05354137 -1640 4.00160032 -0.04457321 -0.05345883 -1641 4.00398080 -0.04444605 -0.05337543 -1642 4.00636127 -0.04431909 -0.05329118 -1643 4.00874175 -0.04419233 -0.05320611 -1644 4.01112222 -0.04406578 -0.05312023 -1645 4.01350270 -0.04393943 -0.05303356 -1646 4.01588318 -0.04381329 -0.05294610 -1647 4.01826365 -0.04368736 -0.05285788 -1648 4.02064413 -0.04356164 -0.05276890 -1649 4.02302460 -0.04343613 -0.05267919 -1650 4.02540508 -0.04331083 -0.05258876 -1651 4.02778556 -0.04318576 -0.05249761 -1652 4.03016603 -0.04306090 -0.05240577 -1653 4.03254651 -0.04293625 -0.05231325 -1654 4.03492699 -0.04281184 -0.05222006 -1655 4.03730746 -0.04268764 -0.05212622 -1656 4.03968794 -0.04256367 -0.05203173 -1657 4.04206841 -0.04243992 -0.05193662 -1658 4.04444889 -0.04231640 -0.05184088 -1659 4.04682937 -0.04219311 -0.05174455 -1660 4.04920984 -0.04207005 -0.05164762 -1661 4.05159032 -0.04194722 -0.05155012 -1662 4.05397079 -0.04182462 -0.05145205 -1663 4.05635127 -0.04170225 -0.05135343 -1664 4.05873175 -0.04158013 -0.05125426 -1665 4.06111222 -0.04145824 -0.05115456 -1666 4.06349270 -0.04133658 -0.05105434 -1667 4.06587317 -0.04121517 -0.05095362 -1668 4.06825365 -0.04109400 -0.05085240 -1669 4.07063413 -0.04097306 -0.05075069 -1670 4.07301460 -0.04085237 -0.05064851 -1671 4.07539508 -0.04073193 -0.05054587 -1672 4.07777556 -0.04061173 -0.05044277 -1673 4.08015603 -0.04049177 -0.05033923 -1674 4.08253651 -0.04037207 -0.05023526 -1675 4.08491698 -0.04025261 -0.05013087 -1676 4.08729746 -0.04013340 -0.05002607 -1677 4.08967794 -0.04001444 -0.04992086 -1678 4.09205841 -0.03989573 -0.04981526 -1679 4.09443889 -0.03977727 -0.04970929 -1680 4.09681936 -0.03965906 -0.04960294 -1681 4.09919984 -0.03954111 -0.04949623 -1682 4.10158032 -0.03942341 -0.04938916 -1683 4.10396079 -0.03930597 -0.04928175 -1684 4.10634127 -0.03918879 -0.04917401 -1685 4.10872174 -0.03907186 -0.04906594 -1686 4.11110222 -0.03895518 -0.04895755 -1687 4.11348270 -0.03883877 -0.04884886 -1688 4.11586317 -0.03872262 -0.04873987 -1689 4.11824365 -0.03860672 -0.04863059 -1690 4.12062412 -0.03849109 -0.04852102 -1691 4.12300460 -0.03837572 -0.04841118 -1692 4.12538508 -0.03826061 -0.04830108 -1693 4.12776555 -0.03814576 -0.04819072 -1694 4.13014603 -0.03803117 -0.04808011 -1695 4.13252651 -0.03791685 -0.04796926 -1696 4.13490698 -0.03780279 -0.04785817 -1697 4.13728746 -0.03768900 -0.04774686 -1698 4.13966793 -0.03757547 -0.04763533 -1699 4.14204841 -0.03746221 -0.04752359 -1700 4.14442889 -0.03734922 -0.04741165 -1701 4.14680936 -0.03723649 -0.04729951 -1702 4.14918984 -0.03712403 -0.04718718 -1703 4.15157031 -0.03701183 -0.04707467 -1704 4.15395079 -0.03689991 -0.04696198 -1705 4.15633127 -0.03678825 -0.04684913 -1706 4.15871174 -0.03667686 -0.04673612 -1707 4.16109222 -0.03656574 -0.04662295 -1708 4.16347269 -0.03645489 -0.04650964 -1709 4.16585317 -0.03634431 -0.04639618 -1710 4.16823365 -0.03623400 -0.04628259 -1711 4.17061412 -0.03612396 -0.04616887 -1712 4.17299460 -0.03601419 -0.04605503 -1713 4.17537508 -0.03590470 -0.04594107 -1714 4.17775555 -0.03579547 -0.04582701 -1715 4.18013603 -0.03568652 -0.04571284 -1716 4.18251650 -0.03557783 -0.04559857 -1717 4.18489698 -0.03546942 -0.04548421 -1718 4.18727746 -0.03536128 -0.04536977 -1719 4.18965793 -0.03525342 -0.04525524 -1720 4.19203841 -0.03514583 -0.04514065 -1721 4.19441888 -0.03503851 -0.04502598 -1722 4.19679936 -0.03493146 -0.04491125 -1723 4.19917984 -0.03482469 -0.04479646 -1724 4.20156031 -0.03471819 -0.04468161 -1725 4.20394079 -0.03461196 -0.04456672 -1726 4.20632126 -0.03450601 -0.04445179 -1727 4.20870174 -0.03440033 -0.04433682 -1728 4.21108222 -0.03429492 -0.04422182 -1729 4.21346269 -0.03418979 -0.04410679 -1730 4.21584317 -0.03408493 -0.04399174 -1731 4.21822364 -0.03398035 -0.04387667 -1732 4.22060412 -0.03387604 -0.04376159 -1733 4.22298460 -0.03377200 -0.04364649 -1734 4.22536507 -0.03366824 -0.04353140 -1735 4.22774555 -0.03356475 -0.04341631 -1736 4.23012603 -0.03346153 -0.04330122 -1737 4.23250650 -0.03335859 -0.04318614 -1738 4.23488698 -0.03325593 -0.04307108 -1739 4.23726745 -0.03315353 -0.04295603 -1740 4.23964793 -0.03305142 -0.04284101 -1741 4.24202841 -0.03294957 -0.04272602 -1742 4.24440888 -0.03284800 -0.04261105 -1743 4.24678936 -0.03274670 -0.04249612 -1744 4.24916983 -0.03264568 -0.04238123 -1745 4.25155031 -0.03254493 -0.04226638 -1746 4.25393079 -0.03244445 -0.04215158 -1747 4.25631126 -0.03234424 -0.04203683 -1748 4.25869174 -0.03224431 -0.04192214 -1749 4.26107221 -0.03214466 -0.04180750 -1750 4.26345269 -0.03204527 -0.04169292 -1751 4.26583317 -0.03194616 -0.04157841 -1752 4.26821364 -0.03184732 -0.04146397 -1753 4.27059412 -0.03174875 -0.04134960 -1754 4.27297459 -0.03165045 -0.04123531 -1755 4.27535507 -0.03155243 -0.04112109 -1756 4.27773555 -0.03145468 -0.04100696 -1757 4.28011602 -0.03135720 -0.04089291 -1758 4.28249650 -0.03125999 -0.04077895 -1759 4.28487698 -0.03116305 -0.04066509 -1760 4.28725745 -0.03106638 -0.04055132 -1761 4.28963793 -0.03096999 -0.04043764 -1762 4.29201840 -0.03087386 -0.04032407 -1763 4.29439888 -0.03077801 -0.04021061 -1764 4.29677936 -0.03068242 -0.04009725 -1765 4.29915983 -0.03058711 -0.03998400 -1766 4.30154031 -0.03049206 -0.03987086 -1767 4.30392078 -0.03039728 -0.03975784 -1768 4.30630126 -0.03030277 -0.03964494 -1769 4.30868174 -0.03020853 -0.03953215 -1770 4.31106221 -0.03011456 -0.03941950 -1771 4.31344269 -0.03002086 -0.03930696 -1772 4.31582316 -0.02992742 -0.03919456 -1773 4.31820364 -0.02983426 -0.03908229 -1774 4.32058412 -0.02974136 -0.03897015 -1775 4.32296459 -0.02964872 -0.03885815 -1776 4.32534507 -0.02955635 -0.03874629 -1777 4.32772555 -0.02946425 -0.03863457 -1778 4.33010602 -0.02937242 -0.03852299 -1779 4.33248650 -0.02928085 -0.03841156 -1780 4.33486697 -0.02918954 -0.03830028 -1781 4.33724745 -0.02909850 -0.03818914 -1782 4.33962793 -0.02900772 -0.03807816 -1783 4.34200840 -0.02891721 -0.03796734 -1784 4.34438888 -0.02882696 -0.03785667 -1785 4.34676935 -0.02873698 -0.03774616 -1786 4.34914983 -0.02864726 -0.03763581 -1787 4.35153031 -0.02855780 -0.03752562 -1788 4.35391078 -0.02846860 -0.03741560 -1789 4.35629126 -0.02837966 -0.03730574 -1790 4.35867173 -0.02829099 -0.03719605 -1791 4.36105221 -0.02820257 -0.03708654 -1792 4.36343269 -0.02811442 -0.03697719 -1793 4.36581316 -0.02802653 -0.03686802 -1794 4.36819364 -0.02793889 -0.03675903 -1795 4.37057411 -0.02785152 -0.03665021 -1796 4.37295459 -0.02776440 -0.03654157 -1797 4.37533507 -0.02767754 -0.03643311 -1798 4.37771554 -0.02759095 -0.03632484 -1799 4.38009602 -0.02750460 -0.03621675 -1800 4.38247650 -0.02741852 -0.03610884 -1801 4.38485697 -0.02733269 -0.03600112 -1802 4.38723745 -0.02724712 -0.03589359 -1803 4.38961792 -0.02716180 -0.03578625 -1804 4.39199840 -0.02707674 -0.03567910 -1805 4.39437888 -0.02699194 -0.03557215 -1806 4.39675935 -0.02690739 -0.03546539 -1807 4.39913983 -0.02682309 -0.03535882 -1808 4.40152030 -0.02673904 -0.03525246 -1809 4.40390078 -0.02665525 -0.03514629 -1810 4.40628126 -0.02657171 -0.03504032 -1811 4.40866173 -0.02648843 -0.03493455 -1812 4.41104221 -0.02640539 -0.03482898 -1813 4.41342268 -0.02632261 -0.03472362 -1814 4.41580316 -0.02624007 -0.03461846 -1815 4.41818364 -0.02615779 -0.03451351 -1816 4.42056411 -0.02607576 -0.03440876 -1817 4.42294459 -0.02599397 -0.03430422 -1818 4.42532507 -0.02591244 -0.03419989 -1819 4.42770554 -0.02583115 -0.03409577 -1820 4.43008602 -0.02575011 -0.03399187 -1821 4.43246649 -0.02566931 -0.03388817 -1822 4.43484697 -0.02558877 -0.03378469 -1823 4.43722745 -0.02550847 -0.03368142 -1824 4.43960792 -0.02542841 -0.03357837 -1825 4.44198840 -0.02534860 -0.03347553 -1826 4.44436887 -0.02526904 -0.03337291 -1827 4.44674935 -0.02518971 -0.03327051 -1828 4.44912983 -0.02511064 -0.03316832 -1829 4.45151030 -0.02503180 -0.03306636 -1830 4.45389078 -0.02495321 -0.03296461 -1831 4.45627125 -0.02487486 -0.03286309 -1832 4.45865173 -0.02479675 -0.03276179 -1833 4.46103221 -0.02471888 -0.03266071 -1834 4.46341268 -0.02464125 -0.03255985 -1835 4.46579316 -0.02456386 -0.03245922 -1836 4.46817363 -0.02448672 -0.03235882 -1837 4.47055411 -0.02440981 -0.03225863 -1838 4.47293459 -0.02433313 -0.03215868 -1839 4.47531506 -0.02425670 -0.03205895 -1840 4.47769554 -0.02418050 -0.03195945 -1841 4.48007602 -0.02410454 -0.03186018 -1842 4.48245649 -0.02402882 -0.03176113 -1843 4.48483697 -0.02395333 -0.03166232 -1844 4.48721744 -0.02387807 -0.03156373 -1845 4.48959792 -0.02380305 -0.03146538 -1846 4.49197840 -0.02372827 -0.03136725 -1847 4.49435887 -0.02365372 -0.03126936 -1848 4.49673935 -0.02357940 -0.03117170 -1849 4.49911982 -0.02350531 -0.03107427 -1850 4.50150030 -0.02343145 -0.03097707 -1851 4.50388078 -0.02335783 -0.03088011 -1852 4.50626125 -0.02328443 -0.03078338 -1853 4.50864173 -0.02321127 -0.03068688 -1854 4.51102220 -0.02313834 -0.03059062 -1855 4.51340268 -0.02306563 -0.03049459 -1856 4.51578316 -0.02299315 -0.03039880 -1857 4.51816363 -0.02292090 -0.03030324 -1858 4.52054411 -0.02284888 -0.03020792 -1859 4.52292458 -0.02277708 -0.03011283 -1860 4.52530506 -0.02270551 -0.03001799 -1861 4.52768554 -0.02263417 -0.02992337 -1862 4.53006601 -0.02256305 -0.02982900 -1863 4.53244649 -0.02249215 -0.02973486 -1864 4.53482697 -0.02242148 -0.02964096 -1865 4.53720744 -0.02235104 -0.02954730 -1866 4.53958792 -0.02228081 -0.02945387 -1867 4.54196839 -0.02221081 -0.02936069 -1868 4.54434887 -0.02214102 -0.02926774 -1869 4.54672935 -0.02207146 -0.02917503 -1870 4.54910982 -0.02200212 -0.02908256 -1871 4.55149030 -0.02193300 -0.02899033 -1872 4.55387077 -0.02186410 -0.02889833 -1873 4.55625125 -0.02179542 -0.02880658 -1874 4.55863173 -0.02172696 -0.02871507 -1875 4.56101220 -0.02165871 -0.02862379 -1876 4.56339268 -0.02159068 -0.02853276 -1877 4.56577315 -0.02152287 -0.02844196 -1878 4.56815363 -0.02145527 -0.02835140 -1879 4.57053411 -0.02138789 -0.02826109 -1880 4.57291458 -0.02132072 -0.02817101 -1881 4.57529506 -0.02125376 -0.02808118 -1882 4.57767554 -0.02118702 -0.02799158 -1883 4.58005601 -0.02112050 -0.02790222 -1884 4.58243649 -0.02105418 -0.02781311 -1885 4.58481696 -0.02098808 -0.02772423 -1886 4.58719744 -0.02092219 -0.02763559 -1887 4.58957792 -0.02085651 -0.02754720 -1888 4.59195839 -0.02079104 -0.02745904 -1889 4.59433887 -0.02072578 -0.02737112 -1890 4.59671934 -0.02066073 -0.02728345 -1891 4.59909982 -0.02059588 -0.02719601 -1892 4.60148030 -0.02053125 -0.02710882 -1893 4.60386077 -0.02046682 -0.02702186 -1894 4.60624125 -0.02040260 -0.02693514 -1895 4.60862172 -0.02033858 -0.02684867 -1896 4.61100220 -0.02027477 -0.02676243 -1897 4.61338268 -0.02021117 -0.02667643 -1898 4.61576315 -0.02014777 -0.02659067 -1899 4.61814363 -0.02008457 -0.02650515 -1900 4.62052410 -0.02002158 -0.02641987 -1901 4.62290458 -0.01995878 -0.02633483 -1902 4.62528506 -0.01989620 -0.02625003 -1903 4.62766553 -0.01983381 -0.02616546 -1904 4.63004601 -0.01977162 -0.02608114 -1905 4.63242649 -0.01970964 -0.02599705 -1906 4.63480696 -0.01964785 -0.02591321 -1907 4.63718744 -0.01958627 -0.02582960 -1908 4.63956791 -0.01952488 -0.02574622 -1909 4.64194839 -0.01946369 -0.02566309 -1910 4.64432887 -0.01940270 -0.02558019 -1911 4.64670934 -0.01934190 -0.02549753 -1912 4.64908982 -0.01928131 -0.02541511 -1913 4.65147029 -0.01922090 -0.02533293 -1914 4.65385077 -0.01916070 -0.02525098 -1915 4.65623125 -0.01910068 -0.02516927 -1916 4.65861172 -0.01904087 -0.02508779 -1917 4.66099220 -0.01898124 -0.02500655 -1918 4.66337267 -0.01892181 -0.02492555 -1919 4.66575315 -0.01886257 -0.02484478 -1920 4.66813363 -0.01880353 -0.02476425 -1921 4.67051410 -0.01874467 -0.02468395 -1922 4.67289458 -0.01868601 -0.02460389 -1923 4.67527506 -0.01862753 -0.02452406 -1924 4.67765553 -0.01856925 -0.02444447 -1925 4.68003601 -0.01851115 -0.02436511 -1926 4.68241648 -0.01845325 -0.02428598 -1927 4.68479696 -0.01839553 -0.02420709 -1928 4.68717744 -0.01833800 -0.02412843 -1929 4.68955791 -0.01828065 -0.02405000 -1930 4.69193839 -0.01822350 -0.02397181 -1931 4.69431886 -0.01816653 -0.02389385 -1932 4.69669934 -0.01810974 -0.02381612 -1933 4.69907982 -0.01805314 -0.02373862 -1934 4.70146029 -0.01799672 -0.02366135 -1935 4.70384077 -0.01794049 -0.02358432 -1936 4.70622124 -0.01788444 -0.02350751 -1937 4.70860172 -0.01782857 -0.02343094 -1938 4.71098220 -0.01777288 -0.02335459 -1939 4.71336267 -0.01771738 -0.02327848 -1940 4.71574315 -0.01766206 -0.02320259 -1941 4.71812362 -0.01760691 -0.02312693 -1942 4.72050410 -0.01755195 -0.02305150 -1943 4.72288458 -0.01749717 -0.02297630 -1944 4.72526505 -0.01744256 -0.02290133 -1945 4.72764553 -0.01738813 -0.02282659 -1946 4.73002601 -0.01733388 -0.02275207 -1947 4.73240648 -0.01727981 -0.02267778 -1948 4.73478696 -0.01722592 -0.02260371 -1949 4.73716743 -0.01717220 -0.02252987 -1950 4.73954791 -0.01711865 -0.02245626 -1951 4.74192839 -0.01706528 -0.02238287 -1952 4.74430886 -0.01701209 -0.02230970 -1953 4.74668934 -0.01695907 -0.02223676 -1954 4.74906981 -0.01690622 -0.02216405 -1955 4.75145029 -0.01685354 -0.02209156 -1956 4.75383077 -0.01680104 -0.02201929 -1957 4.75621124 -0.01674871 -0.02194724 -1958 4.75859172 -0.01669655 -0.02187542 -1959 4.76097219 -0.01664456 -0.02180381 -1960 4.76335267 -0.01659275 -0.02173243 -1961 4.76573315 -0.01654110 -0.02166127 -1962 4.76811362 -0.01648962 -0.02159034 -1963 4.77049410 -0.01643831 -0.02151962 -1964 4.77287457 -0.01638716 -0.02144912 -1965 4.77525505 -0.01633619 -0.02137884 -1966 4.77763553 -0.01628538 -0.02130878 -1967 4.78001600 -0.01623474 -0.02123894 -1968 4.78239648 -0.01618426 -0.02116931 -1969 4.78477696 -0.01613395 -0.02109991 -1970 4.78715743 -0.01608381 -0.02103072 -1971 4.78953791 -0.01603382 -0.02096174 -1972 4.79191838 -0.01598401 -0.02089299 -1973 4.79429886 -0.01593435 -0.02082445 -1974 4.79667934 -0.01588486 -0.02075612 -1975 4.79905981 -0.01583553 -0.02068801 -1976 4.80144029 -0.01578637 -0.02062012 -1977 4.80382076 -0.01573736 -0.02055243 -1978 4.80620124 -0.01568852 -0.02048497 -1979 4.80858172 -0.01563984 -0.02041771 -1980 4.81096219 -0.01559131 -0.02035067 -1981 4.81334267 -0.01554295 -0.02028384 -1982 4.81572314 -0.01549474 -0.02021722 -1983 4.81810362 -0.01544669 -0.02015081 -1984 4.82048410 -0.01539880 -0.02008462 -1985 4.82286457 -0.01535107 -0.02001863 -1986 4.82524505 -0.01530350 -0.01995285 -1987 4.82762553 -0.01525608 -0.01988729 -1988 4.83000600 -0.01520881 -0.01982193 -1989 4.83238648 -0.01516170 -0.01975678 -1990 4.83476695 -0.01511475 -0.01969184 -1991 4.83714743 -0.01506795 -0.01962710 -1992 4.83952791 -0.01502131 -0.01956257 -1993 4.84190838 -0.01497482 -0.01949825 -1994 4.84428886 -0.01492848 -0.01943414 -1995 4.84666933 -0.01488229 -0.01937023 -1996 4.84904981 -0.01483626 -0.01930652 -1997 4.85143029 -0.01479037 -0.01924302 -1998 4.85381076 -0.01474464 -0.01917973 -1999 4.85619124 -0.01469906 -0.01911664 -2000 4.85857171 -0.01465363 -0.01905375 -2001 4.86095219 -0.01460835 -0.01899106 -2002 4.86333267 -0.01456321 -0.01892857 -2003 4.86571314 -0.01451823 -0.01886629 -2004 4.86809362 -0.01447339 -0.01880421 -2005 4.87047409 -0.01442870 -0.01874233 -2006 4.87285457 -0.01438416 -0.01868065 -2007 4.87523505 -0.01433976 -0.01861916 -2008 4.87761552 -0.01429551 -0.01855788 -2009 4.87999600 -0.01425141 -0.01849680 -2010 4.88237648 -0.01420745 -0.01843591 -2011 4.88475695 -0.01416364 -0.01837522 -2012 4.88713743 -0.01411997 -0.01831473 -2013 4.88951790 -0.01407644 -0.01825443 -2014 4.89189838 -0.01403306 -0.01819434 -2015 4.89427886 -0.01398982 -0.01813443 -2016 4.89665933 -0.01394672 -0.01807472 -2017 4.89903981 -0.01390377 -0.01801521 -2018 4.90142028 -0.01386095 -0.01795589 -2019 4.90380076 -0.01381828 -0.01789677 -2020 4.90618124 -0.01377575 -0.01783783 -2021 4.90856171 -0.01373335 -0.01777909 -2022 4.91094219 -0.01369110 -0.01772054 -2023 4.91332266 -0.01364899 -0.01766219 -2024 4.91570314 -0.01360701 -0.01760402 -2025 4.91808362 -0.01356517 -0.01754605 -2026 4.92046409 -0.01352348 -0.01748826 -2027 4.92284457 -0.01348191 -0.01743067 -2028 4.92522505 -0.01344049 -0.01737326 -2029 4.92760552 -0.01339920 -0.01731604 -2030 4.92998600 -0.01335805 -0.01725901 -2031 4.93236647 -0.01331703 -0.01720217 -2032 4.93474695 -0.01327615 -0.01714551 -2033 4.93712743 -0.01323540 -0.01708904 -2034 4.93950790 -0.01319479 -0.01703276 -2035 4.94188838 -0.01315431 -0.01697666 -2036 4.94426885 -0.01311396 -0.01692075 -2037 4.94664933 -0.01307375 -0.01686502 -2038 4.94902981 -0.01303367 -0.01680948 -2039 4.95141028 -0.01299372 -0.01675412 -2040 4.95379076 -0.01295390 -0.01669894 -2041 4.95617123 -0.01291422 -0.01664394 -2042 4.95855171 -0.01287466 -0.01658913 -2043 4.96093219 -0.01283524 -0.01653450 -2044 4.96331266 -0.01279594 -0.01648004 -2045 4.96569314 -0.01275678 -0.01642577 -2046 4.96807361 -0.01271774 -0.01637168 -2047 4.97045409 -0.01267883 -0.01631777 -2048 4.97283457 -0.01264005 -0.01626404 -2049 4.97521504 -0.01260140 -0.01621048 -2050 4.97759552 -0.01256287 -0.01615711 -2051 4.97997600 -0.01252448 -0.01610391 -2052 4.98235647 -0.01248620 -0.01605088 -2053 4.98473695 -0.01244806 -0.01599804 -2054 4.98711742 -0.01241004 -0.01594537 -2055 4.98949790 -0.01237214 -0.01589287 -2056 4.99187838 -0.01233437 -0.01584055 -2057 4.99425885 -0.01229673 -0.01578841 -2058 4.99663933 -0.01225920 -0.01573643 -2059 4.99901980 -0.01222181 -0.01568464 -2060 5.00140028 -0.01218453 -0.01563301 -2061 5.00378076 -0.01214738 -0.01558156 -2062 5.00616123 -0.01211035 -0.01553027 -2063 5.00854171 -0.01207344 -0.01547916 -2064 5.01092218 -0.01203665 -0.01542822 -2065 5.01330266 -0.01199999 -0.01537745 -2066 5.01568314 -0.01196344 -0.01532685 -2067 5.01806361 -0.01192702 -0.01527642 -2068 5.02044409 -0.01189071 -0.01522616 -2069 5.02282456 -0.01185452 -0.01517607 -2070 5.02520504 -0.01181846 -0.01512614 -2071 5.02758552 -0.01178251 -0.01507638 -2072 5.02996599 -0.01174668 -0.01502679 -2073 5.03234647 -0.01171097 -0.01497736 -2074 5.03472695 -0.01167537 -0.01492811 -2075 5.03710742 -0.01163990 -0.01487901 -2076 5.03948790 -0.01160453 -0.01483008 -2077 5.04186837 -0.01156929 -0.01478132 -2078 5.04424885 -0.01153416 -0.01473271 -2079 5.04662933 -0.01149915 -0.01468428 -2080 5.04900980 -0.01146425 -0.01463600 -2081 5.05139028 -0.01142947 -0.01458789 -2082 5.05377075 -0.01139480 -0.01453994 -2083 5.05615123 -0.01136024 -0.01449215 -2084 5.05853171 -0.01132580 -0.01444452 -2085 5.06091218 -0.01129147 -0.01439705 -2086 5.06329266 -0.01125726 -0.01434974 -2087 5.06567313 -0.01122315 -0.01430259 -2088 5.06805361 -0.01118916 -0.01425560 -2089 5.07043409 -0.01115528 -0.01420877 -2090 5.07281456 -0.01112152 -0.01416209 -2091 5.07519504 -0.01108786 -0.01411558 -2092 5.07757552 -0.01105431 -0.01406922 -2093 5.07995599 -0.01102088 -0.01402302 -2094 5.08233647 -0.01098755 -0.01397697 -2095 5.08471694 -0.01095433 -0.01393108 -2096 5.08709742 -0.01092122 -0.01388534 -2097 5.08947790 -0.01088822 -0.01383976 -2098 5.09185837 -0.01085533 -0.01379433 -2099 5.09423885 -0.01082255 -0.01374905 -2100 5.09661932 -0.01078987 -0.01370393 -2101 5.09899980 -0.01075731 -0.01365896 -2102 5.10138028 -0.01072484 -0.01361415 -2103 5.10376075 -0.01069249 -0.01356948 -2104 5.10614123 -0.01066024 -0.01352497 -2105 5.10852170 -0.01062810 -0.01348061 -2106 5.11090218 -0.01059606 -0.01343639 -2107 5.11328266 -0.01056413 -0.01339233 -2108 5.11566313 -0.01053230 -0.01334842 -2109 5.11804361 -0.01050058 -0.01330465 -2110 5.12042408 -0.01046896 -0.01326104 -2111 5.12280456 -0.01043744 -0.01321757 -2112 5.12518504 -0.01040603 -0.01317425 -2113 5.12756551 -0.01037472 -0.01313107 -2114 5.12994599 -0.01034351 -0.01308804 -2115 5.13232647 -0.01031241 -0.01304516 -2116 5.13470694 -0.01028140 -0.01300243 -2117 5.13708742 -0.01025050 -0.01295983 -2118 5.13946789 -0.01021970 -0.01291739 -2119 5.14184837 -0.01018900 -0.01287509 -2120 5.14422885 -0.01015841 -0.01283293 -2121 5.14660932 -0.01012791 -0.01279091 -2122 5.14898980 -0.01009751 -0.01274904 -2123 5.15137027 -0.01006721 -0.01270731 -2124 5.15375075 -0.01003701 -0.01266572 -2125 5.15613123 -0.01000691 -0.01262428 -2126 5.15851170 -0.00997691 -0.01258297 -2127 5.16089218 -0.00994700 -0.01254180 -2128 5.16327265 -0.00991719 -0.01250078 -2129 5.16565313 -0.00988749 -0.01245989 -2130 5.16803361 -0.00985787 -0.01241915 -2131 5.17041408 -0.00982836 -0.01237854 -2132 5.17279456 -0.00979894 -0.01233807 -2133 5.17517504 -0.00976962 -0.01229774 -2134 5.17755551 -0.00974039 -0.01225754 -2135 5.17993599 -0.00971126 -0.01221749 -2136 5.18231646 -0.00968222 -0.01217757 -2137 5.18469694 -0.00965328 -0.01213778 -2138 5.18707742 -0.00962444 -0.01209813 -2139 5.18945789 -0.00959568 -0.01205862 -2140 5.19183837 -0.00956703 -0.01201924 -2141 5.19421884 -0.00953846 -0.01197999 -2142 5.19659932 -0.00950999 -0.01194088 -2143 5.19897980 -0.00948161 -0.01190190 -2144 5.20136027 -0.00945333 -0.01186306 -2145 5.20374075 -0.00942513 -0.01182435 -2146 5.20612122 -0.00939703 -0.01178577 -2147 5.20850170 -0.00936902 -0.01174732 -2148 5.21088218 -0.00934110 -0.01170900 -2149 5.21326265 -0.00931327 -0.01167081 -2150 5.21564313 -0.00928554 -0.01163276 -2151 5.21802360 -0.00925789 -0.01159483 -2152 5.22040408 -0.00923033 -0.01155703 -2153 5.22278456 -0.00920287 -0.01151937 -2154 5.22516503 -0.00917549 -0.01148183 -2155 5.22754551 -0.00914820 -0.01144442 -2156 5.22992599 -0.00912100 -0.01140713 -2157 5.23230646 -0.00909389 -0.01136998 -2158 5.23468694 -0.00906687 -0.01133295 -2159 5.23706741 -0.00903994 -0.01129605 -2160 5.23944789 -0.00901309 -0.01125927 -2161 5.24182837 -0.00898633 -0.01122262 -2162 5.24420884 -0.00895966 -0.01118609 -2163 5.24658932 -0.00893308 -0.01114969 -2164 5.24896979 -0.00890658 -0.01111342 -2165 5.25135027 -0.00888017 -0.01107726 -2166 5.25373075 -0.00885384 -0.01104124 -2167 5.25611122 -0.00882760 -0.01100533 -2168 5.25849170 -0.00880144 -0.01096955 -2169 5.26087217 -0.00877537 -0.01093389 -2170 5.26325265 -0.00874939 -0.01089835 -2171 5.26563313 -0.00872349 -0.01086293 -2172 5.26801360 -0.00869767 -0.01082764 -2173 5.27039408 -0.00867194 -0.01079246 -2174 5.27277455 -0.00864629 -0.01075741 -2175 5.27515503 -0.00862072 -0.01072247 -2176 5.27753551 -0.00859524 -0.01068766 -2177 5.27991598 -0.00856984 -0.01065296 -2178 5.28229646 -0.00854452 -0.01061839 -2179 5.28467694 -0.00851928 -0.01058393 -2180 5.28705741 -0.00849413 -0.01054959 -2181 5.28943789 -0.00846906 -0.01051536 -2182 5.29181836 -0.00844407 -0.01048126 -2183 5.29419884 -0.00841916 -0.01044727 -2184 5.29657932 -0.00839433 -0.01041340 -2185 5.29895979 -0.00836958 -0.01037964 -2186 5.30134027 -0.00834491 -0.01034600 -2187 5.30372074 -0.00832032 -0.01031247 -2188 5.30610122 -0.00829581 -0.01027906 -2189 5.30848170 -0.00827138 -0.01024576 -2190 5.31086217 -0.00824703 -0.01021258 -2191 5.31324265 -0.00822276 -0.01017951 -2192 5.31562312 -0.00819857 -0.01014655 -2193 5.31800360 -0.00817446 -0.01011371 -2194 5.32038408 -0.00815042 -0.01008098 -2195 5.32276455 -0.00812646 -0.01004836 -2196 5.32514503 -0.00810258 -0.01001585 -2197 5.32752551 -0.00807878 -0.00998346 -2198 5.32990598 -0.00805505 -0.00995117 -2199 5.33228646 -0.00803140 -0.00991900 -2200 5.33466693 -0.00800782 -0.00988693 -2201 5.33704741 -0.00798433 -0.00985498 -2202 5.33942789 -0.00796091 -0.00982313 -2203 5.34180836 -0.00793756 -0.00979140 -2204 5.34418884 -0.00791429 -0.00975977 -2205 5.34656931 -0.00789109 -0.00972825 -2206 5.34894979 -0.00786797 -0.00969684 -2207 5.35133027 -0.00784493 -0.00966554 -2208 5.35371074 -0.00782196 -0.00963434 -2209 5.35609122 -0.00779906 -0.00960325 -2210 5.35847169 -0.00777624 -0.00957227 -2211 5.36085217 -0.00775349 -0.00954139 -2212 5.36323265 -0.00773081 -0.00951062 -2213 5.36561312 -0.00770821 -0.00947996 -2214 5.36799360 -0.00768568 -0.00944940 -2215 5.37037407 -0.00766322 -0.00941894 -2216 5.37275455 -0.00764083 -0.00938859 -2217 5.37513503 -0.00761852 -0.00935834 -2218 5.37751550 -0.00759628 -0.00932820 -2219 5.37989598 -0.00757411 -0.00929816 -2220 5.38227646 -0.00755201 -0.00926822 -2221 5.38465693 -0.00752998 -0.00923838 -2222 5.38703741 -0.00750803 -0.00920865 -2223 5.38941788 -0.00748614 -0.00917902 -2224 5.39179836 -0.00746432 -0.00914949 -2225 5.39417884 -0.00744258 -0.00912006 -2226 5.39655931 -0.00742090 -0.00909073 -2227 5.39893979 -0.00739930 -0.00906150 -2228 5.40132026 -0.00737776 -0.00903238 -2229 5.40370074 -0.00735630 -0.00900335 -2230 5.40608122 -0.00733490 -0.00897442 -2231 5.40846169 -0.00731357 -0.00894559 -2232 5.41084217 -0.00729231 -0.00891686 -2233 5.41322264 -0.00727112 -0.00888823 -2234 5.41560312 -0.00724999 -0.00885969 -2235 5.41798360 -0.00722894 -0.00883126 -2236 5.42036407 -0.00720795 -0.00880292 -2237 5.42274455 -0.00718703 -0.00877468 -2238 5.42512503 -0.00716617 -0.00874653 -2239 5.42750550 -0.00714538 -0.00871848 -2240 5.42988598 -0.00712466 -0.00869053 -2241 5.43226645 -0.00710401 -0.00866267 -2242 5.43464693 -0.00708342 -0.00863491 -2243 5.43702741 -0.00706290 -0.00860724 -2244 5.43940788 -0.00704244 -0.00857967 -2245 5.44178836 -0.00702205 -0.00855219 -2246 5.44416883 -0.00700172 -0.00852481 -2247 5.44654931 -0.00698146 -0.00849752 -2248 5.44892979 -0.00696127 -0.00847032 -2249 5.45131026 -0.00694114 -0.00844321 -2250 5.45369074 -0.00692107 -0.00841620 -2251 5.45607121 -0.00690107 -0.00838928 -2252 5.45845169 -0.00688113 -0.00836246 -2253 5.46083217 -0.00686125 -0.00833572 -2254 5.46321264 -0.00684144 -0.00830908 -2255 5.46559312 -0.00682170 -0.00828253 -2256 5.46797359 -0.00680201 -0.00825606 -2257 5.47035407 -0.00678239 -0.00822969 -2258 5.47273455 -0.00676283 -0.00820341 -2259 5.47511502 -0.00674333 -0.00817722 -2260 5.47749550 -0.00672390 -0.00815112 -2261 5.47987598 -0.00670453 -0.00812511 -2262 5.48225645 -0.00668521 -0.00809918 -2263 5.48463693 -0.00666597 -0.00807335 -2264 5.48701740 -0.00664678 -0.00804760 -2265 5.48939788 -0.00662765 -0.00802194 -2266 5.49177836 -0.00660859 -0.00799637 -2267 5.49415883 -0.00658958 -0.00797089 -2268 5.49653931 -0.00657064 -0.00794549 -2269 5.49891978 -0.00655175 -0.00792018 -2270 5.50130026 -0.00653293 -0.00789496 -2271 5.50368074 -0.00651417 -0.00786982 -2272 5.50606121 -0.00649546 -0.00784477 -2273 5.50844169 -0.00647682 -0.00781980 -2274 5.51082216 -0.00645823 -0.00779492 -2275 5.51320264 -0.00643971 -0.00777013 -2276 5.51558312 -0.00642124 -0.00774542 -2277 5.51796359 -0.00640283 -0.00772079 -2278 5.52034407 -0.00638448 -0.00769625 -2279 5.52272454 -0.00636619 -0.00767179 -2280 5.52510502 -0.00634795 -0.00764741 -2281 5.52748550 -0.00632978 -0.00762312 -2282 5.52986597 -0.00631166 -0.00759891 -2283 5.53224645 -0.00629360 -0.00757478 -2284 5.53462693 -0.00627560 -0.00755074 -2285 5.53700740 -0.00625765 -0.00752678 -2286 5.53938788 -0.00623976 -0.00750290 -2287 5.54176835 -0.00622193 -0.00747910 -2288 5.54414883 -0.00620416 -0.00745538 -2289 5.54652931 -0.00618644 -0.00743174 -2290 5.54890978 -0.00616877 -0.00740819 -2291 5.55129026 -0.00615117 -0.00738471 -2292 5.55367073 -0.00613362 -0.00736131 -2293 5.55605121 -0.00611612 -0.00733800 -2294 5.55843169 -0.00609868 -0.00731476 -2295 5.56081216 -0.00608129 -0.00729160 -2296 5.56319264 -0.00606396 -0.00726852 -2297 5.56557311 -0.00604669 -0.00724552 -2298 5.56795359 -0.00602947 -0.00722260 -2299 5.57033407 -0.00601230 -0.00719976 -2300 5.57271454 -0.00599519 -0.00717699 -2301 5.57509502 -0.00597813 -0.00715430 -2302 5.57747550 -0.00596113 -0.00713169 -2303 5.57985597 -0.00594418 -0.00710916 -2304 5.58223645 -0.00592728 -0.00708670 -2305 5.58461692 -0.00591044 -0.00706432 -2306 5.58699740 -0.00589365 -0.00704202 -2307 5.58937788 -0.00587691 -0.00701979 -2308 5.59175835 -0.00586023 -0.00699763 -2309 5.59413883 -0.00584360 -0.00697556 -2310 5.59651930 -0.00582702 -0.00695355 -2311 5.59889978 -0.00581049 -0.00693163 -2312 5.60128026 -0.00579402 -0.00690977 -2313 5.60366073 -0.00577759 -0.00688799 -2314 5.60604121 -0.00576122 -0.00686629 -2315 5.60842168 -0.00574490 -0.00684466 -2316 5.61080216 -0.00572864 -0.00682310 -2317 5.61318264 -0.00571242 -0.00680162 -2318 5.61556311 -0.00569625 -0.00678020 -2319 5.61794359 -0.00568014 -0.00675887 -2320 5.62032406 -0.00566408 -0.00673760 -2321 5.62270454 -0.00564806 -0.00671641 -2322 5.62508502 -0.00563210 -0.00669528 -2323 5.62746549 -0.00561619 -0.00667423 -2324 5.62984597 -0.00560032 -0.00665325 -2325 5.63222645 -0.00558451 -0.00663235 -2326 5.63460692 -0.00556875 -0.00661151 -2327 5.63698740 -0.00555303 -0.00659075 -2328 5.63936787 -0.00553737 -0.00657005 -2329 5.64174835 -0.00552175 -0.00654942 -2330 5.64412883 -0.00550619 -0.00652887 -2331 5.64650930 -0.00549067 -0.00650838 -2332 5.64888978 -0.00547520 -0.00648797 -2333 5.65127025 -0.00545978 -0.00646762 -2334 5.65365073 -0.00544441 -0.00644734 -2335 5.65603121 -0.00542909 -0.00642714 -2336 5.65841168 -0.00541381 -0.00640700 -2337 5.66079216 -0.00539858 -0.00638692 -2338 5.66317263 -0.00538340 -0.00636692 -2339 5.66555311 -0.00536827 -0.00634698 -2340 5.66793359 -0.00535318 -0.00632711 -2341 5.67031406 -0.00533815 -0.00630731 -2342 5.67269454 -0.00532316 -0.00628758 -2343 5.67507502 -0.00530821 -0.00626791 -2344 5.67745549 -0.00529331 -0.00624831 -2345 5.67983597 -0.00527846 -0.00622878 -2346 5.68221644 -0.00526366 -0.00620931 -2347 5.68459692 -0.00524890 -0.00618991 -2348 5.68697740 -0.00523419 -0.00617057 -2349 5.68935787 -0.00521952 -0.00615130 -2350 5.69173835 -0.00520490 -0.00613209 -2351 5.69411882 -0.00519033 -0.00611295 -2352 5.69649930 -0.00517580 -0.00609387 -2353 5.69887978 -0.00516132 -0.00607486 -2354 5.70126025 -0.00514688 -0.00605591 -2355 5.70364073 -0.00513248 -0.00603703 -2356 5.70602120 -0.00511814 -0.00601821 -2357 5.70840168 -0.00510383 -0.00599945 -2358 5.71078216 -0.00508957 -0.00598076 -2359 5.71316263 -0.00507536 -0.00596213 -2360 5.71554311 -0.00506119 -0.00594356 -2361 5.71792358 -0.00504706 -0.00592506 -2362 5.72030406 -0.00503298 -0.00590662 -2363 5.72268454 -0.00501894 -0.00588824 -2364 5.72506501 -0.00500494 -0.00586992 -2365 5.72744549 -0.00499099 -0.00585167 -2366 5.72982597 -0.00497708 -0.00583347 -2367 5.73220644 -0.00496322 -0.00581534 -2368 5.73458692 -0.00494940 -0.00579727 -2369 5.73696739 -0.00493562 -0.00577926 -2370 5.73934787 -0.00492188 -0.00576131 -2371 5.74172835 -0.00490819 -0.00574342 -2372 5.74410882 -0.00489454 -0.00572559 -2373 5.74648930 -0.00488093 -0.00570782 -2374 5.74886977 -0.00486736 -0.00569011 -2375 5.75125025 -0.00485384 -0.00567247 -2376 5.75363073 -0.00484036 -0.00565488 -2377 5.75601120 -0.00482692 -0.00563734 -2378 5.75839168 -0.00481352 -0.00561987 -2379 5.76077215 -0.00480016 -0.00560246 -2380 5.76315263 -0.00478685 -0.00558511 -2381 5.76553311 -0.00477357 -0.00556781 -2382 5.76791358 -0.00476034 -0.00555057 -2383 5.77029406 -0.00474714 -0.00553339 -2384 5.77267453 -0.00473399 -0.00551627 -2385 5.77505501 -0.00472088 -0.00549921 -2386 5.77743549 -0.00470781 -0.00548220 -2387 5.77981596 -0.00469478 -0.00546525 -2388 5.78219644 -0.00468179 -0.00544836 -2389 5.78457692 -0.00466884 -0.00543152 -2390 5.78695739 -0.00465593 -0.00541475 -2391 5.78933787 -0.00464306 -0.00539802 -2392 5.79171834 -0.00463023 -0.00538136 -2393 5.79409882 -0.00461744 -0.00536475 -2394 5.79647930 -0.00460469 -0.00534819 -2395 5.79885977 -0.00459198 -0.00533169 -2396 5.80124025 -0.00457931 -0.00531525 -2397 5.80362072 -0.00456667 -0.00529886 -2398 5.80600120 -0.00455408 -0.00528253 -2399 5.80838168 -0.00454152 -0.00526625 -2400 5.81076215 -0.00452901 -0.00525002 -2401 5.81314263 -0.00451653 -0.00523385 -2402 5.81552310 -0.00450409 -0.00521774 -2403 5.81790358 -0.00449169 -0.00520168 -2404 5.82028406 -0.00447932 -0.00518567 -2405 5.82266453 -0.00446700 -0.00516971 -2406 5.82504501 -0.00445471 -0.00515381 -2407 5.82742549 -0.00444246 -0.00513797 -2408 5.82980596 -0.00443025 -0.00512217 -2409 5.83218644 -0.00441808 -0.00510643 -2410 5.83456691 -0.00440594 -0.00509074 -2411 5.83694739 -0.00439384 -0.00507510 -2412 5.83932787 -0.00438178 -0.00505952 -2413 5.84170834 -0.00436975 -0.00504399 -2414 5.84408882 -0.00435776 -0.00502851 -2415 5.84646929 -0.00434581 -0.00501308 -2416 5.84884977 -0.00433389 -0.00499771 -2417 5.85123025 -0.00432202 -0.00498238 -2418 5.85361072 -0.00431017 -0.00496711 -2419 5.85599120 -0.00429837 -0.00495188 -2420 5.85837167 -0.00428660 -0.00493671 -2421 5.86075215 -0.00427486 -0.00492159 -2422 5.86313263 -0.00426317 -0.00490652 -2423 5.86551310 -0.00425150 -0.00489150 -2424 5.86789358 -0.00423988 -0.00487653 -2425 5.87027405 -0.00422829 -0.00486161 -2426 5.87265453 -0.00421673 -0.00484674 -2427 5.87503501 -0.00420521 -0.00483192 -2428 5.87741548 -0.00419373 -0.00481715 -2429 5.87979596 -0.00418228 -0.00480242 -2430 5.88217644 -0.00417086 -0.00478775 -2431 5.88455691 -0.00415948 -0.00477313 -2432 5.88693739 -0.00414814 -0.00475855 -2433 5.88931786 -0.00413683 -0.00474403 -2434 5.89169834 -0.00412555 -0.00472955 -2435 5.89407882 -0.00411431 -0.00471512 -2436 5.89645929 -0.00410310 -0.00470073 -2437 5.89883977 -0.00409193 -0.00468640 -2438 5.90122024 -0.00408079 -0.00467211 -2439 5.90360072 -0.00406969 -0.00465788 -2440 5.90598120 -0.00405862 -0.00464368 -2441 5.90836167 -0.00404758 -0.00462954 -2442 5.91074215 -0.00403658 -0.00461544 -2443 5.91312262 -0.00402561 -0.00460139 -2444 5.91550310 -0.00401467 -0.00458739 -2445 5.91788358 -0.00400376 -0.00457343 -2446 5.92026405 -0.00399289 -0.00455952 -2447 5.92264453 -0.00398206 -0.00454566 -2448 5.92502501 -0.00397125 -0.00453184 -2449 5.92740548 -0.00396048 -0.00451807 -2450 5.92978596 -0.00394974 -0.00450434 -2451 5.93216643 -0.00393904 -0.00449066 -2452 5.93454691 -0.00392836 -0.00447702 -2453 5.93692739 -0.00391772 -0.00446343 -2454 5.93930786 -0.00390711 -0.00444989 -2455 5.94168834 -0.00389654 -0.00443639 -2456 5.94406881 -0.00388599 -0.00442293 -2457 5.94644929 -0.00387548 -0.00440952 -2458 5.94882977 -0.00386500 -0.00439615 -2459 5.95121024 -0.00385455 -0.00438283 -2460 5.95359072 -0.00384413 -0.00436955 -2461 5.95597119 -0.00383375 -0.00435632 -2462 5.95835167 -0.00382339 -0.00434313 -2463 5.96073215 -0.00381307 -0.00432998 -2464 5.96311262 -0.00380278 -0.00431688 -2465 5.96549310 -0.00379252 -0.00430382 -2466 5.96787357 -0.00378229 -0.00429080 -2467 5.97025405 -0.00377209 -0.00427783 -2468 5.97263453 -0.00376192 -0.00426490 -2469 5.97501500 -0.00375178 -0.00425201 -2470 5.97739548 -0.00374168 -0.00423917 -2471 5.97977596 -0.00373160 -0.00422636 -2472 5.98215643 -0.00372155 -0.00421360 -2473 5.98453691 -0.00371154 -0.00420088 -2474 5.98691738 -0.00370155 -0.00418821 -2475 5.98929786 -0.00369160 -0.00417557 -2476 5.99167834 -0.00368167 -0.00416298 -2477 5.99405881 -0.00367178 -0.00415043 -2478 5.99643929 -0.00366191 -0.00413792 -2479 5.99881976 -0.00365208 -0.00412545 -2480 6.00120024 -0.00364227 -0.00411303 -2481 6.00358072 -0.00363250 -0.00410064 -2482 6.00596119 -0.00362275 -0.00408829 -2483 6.00834167 -0.00361303 -0.00407599 -2484 6.01072214 -0.00360334 -0.00406373 -2485 6.01310262 -0.00359369 -0.00405150 -2486 6.01548310 -0.00358406 -0.00403932 -2487 6.01786357 -0.00357445 -0.00402718 -2488 6.02024405 -0.00356488 -0.00401507 -2489 6.02262452 -0.00355534 -0.00400301 -2490 6.02500500 -0.00354582 -0.00399099 -2491 6.02738548 -0.00353634 -0.00397900 -2492 6.02976595 -0.00352688 -0.00396706 -2493 6.03214643 -0.00351745 -0.00395515 -2494 6.03452691 -0.00350805 -0.00394329 -2495 6.03690738 -0.00349868 -0.00393146 -2496 6.03928786 -0.00348933 -0.00391967 -2497 6.04166833 -0.00348002 -0.00390792 -2498 6.04404881 -0.00347073 -0.00389621 -2499 6.04642929 -0.00346147 -0.00388454 -2500 6.04880976 -0.00345223 -0.00387290 -2501 6.05119024 -0.00344303 -0.00386131 -2502 6.05357071 -0.00343385 -0.00384975 -2503 6.05595119 -0.00342470 -0.00383823 -2504 6.05833167 -0.00341558 -0.00382675 -2505 6.06071214 -0.00340648 -0.00381531 -2506 6.06309262 -0.00339741 -0.00380390 -2507 6.06547309 -0.00338837 -0.00379253 -2508 6.06785357 -0.00337935 -0.00378120 -2509 6.07023405 -0.00337037 -0.00376990 -2510 6.07261452 -0.00336141 -0.00375864 -2511 6.07499500 -0.00335247 -0.00374742 -2512 6.07737548 -0.00334356 -0.00373624 -2513 6.07975595 -0.00333468 -0.00372509 -2514 6.08213643 -0.00332583 -0.00371398 -2515 6.08451690 -0.00331700 -0.00370291 -2516 6.08689738 -0.00330820 -0.00369187 -2517 6.08927786 -0.00329943 -0.00368086 -2518 6.09165833 -0.00329068 -0.00366990 -2519 6.09403881 -0.00328195 -0.00365897 -2520 6.09641928 -0.00327326 -0.00364807 -2521 6.09879976 -0.00326458 -0.00363721 -2522 6.10118024 -0.00325594 -0.00362639 -2523 6.10356071 -0.00324732 -0.00361560 -2524 6.10594119 -0.00323873 -0.00360485 -2525 6.10832166 -0.00323016 -0.00359413 -2526 6.11070214 -0.00322161 -0.00358345 -2527 6.11308262 -0.00321310 -0.00357280 -2528 6.11546309 -0.00320460 -0.00356219 -2529 6.11784357 -0.00319614 -0.00355161 -2530 6.12022404 -0.00318769 -0.00354106 -2531 6.12260452 -0.00317928 -0.00353055 -2532 6.12498500 -0.00317089 -0.00352008 -2533 6.12736547 -0.00316252 -0.00350964 -2534 6.12974595 -0.00315418 -0.00349923 -2535 6.13212643 -0.00314586 -0.00348886 -2536 6.13450690 -0.00313757 -0.00347852 -2537 6.13688738 -0.00312930 -0.00346821 -2538 6.13926785 -0.00312105 -0.00345794 -2539 6.14164833 -0.00311284 -0.00344770 -2540 6.14402881 -0.00310464 -0.00343749 -2541 6.14640928 -0.00309647 -0.00342732 -2542 6.14878976 -0.00308832 -0.00341718 -2543 6.15117023 -0.00308020 -0.00340707 -2544 6.15355071 -0.00307210 -0.00339700 -2545 6.15593119 -0.00306403 -0.00338696 -2546 6.15831166 -0.00305598 -0.00337695 -2547 6.16069214 -0.00304795 -0.00336698 -2548 6.16307261 -0.00303995 -0.00335703 -2549 6.16545309 -0.00303197 -0.00334712 -2550 6.16783357 -0.00302401 -0.00333724 -2551 6.17021404 -0.00301608 -0.00332740 -2552 6.17259452 -0.00300817 -0.00331758 -2553 6.17497499 -0.00300028 -0.00330780 -2554 6.17735547 -0.00299242 -0.00329805 -2555 6.17973595 -0.00298458 -0.00328833 -2556 6.18211642 -0.00297677 -0.00327864 -2557 6.18449690 -0.00296897 -0.00326898 -2558 6.18687738 -0.00296120 -0.00325936 -2559 6.18925785 -0.00295345 -0.00324976 -2560 6.19163833 -0.00294573 -0.00324020 -2561 6.19401880 -0.00293803 -0.00323067 -2562 6.19639928 -0.00293035 -0.00322117 -2563 6.19877976 -0.00292269 -0.00321169 -2564 6.20116023 -0.00291506 -0.00320225 -2565 6.20354071 -0.00290745 -0.00319285 -2566 6.20592118 -0.00289986 -0.00318347 -2567 6.20830166 -0.00289229 -0.00317412 -2568 6.21068214 -0.00288475 -0.00316480 -2569 6.21306261 -0.00287722 -0.00315551 -2570 6.21544309 -0.00286972 -0.00314625 -2571 6.21782356 -0.00286224 -0.00313702 -2572 6.22020404 -0.00285479 -0.00312782 -2573 6.22258452 -0.00284735 -0.00311866 -2574 6.22496499 -0.00283994 -0.00310952 -2575 6.22734547 -0.00283255 -0.00310041 -2576 6.22972595 -0.00282518 -0.00309133 -2577 6.23210642 -0.00281783 -0.00308227 -2578 6.23448690 -0.00281050 -0.00307325 -2579 6.23686737 -0.00280320 -0.00306426 -2580 6.23924785 -0.00279591 -0.00305530 -2581 6.24162833 -0.00278865 -0.00304636 -2582 6.24400880 -0.00278141 -0.00303745 -2583 6.24638928 -0.00277419 -0.00302858 -2584 6.24876975 -0.00276699 -0.00301973 -2585 6.25115023 -0.00275981 -0.00301091 -2586 6.25353071 -0.00275266 -0.00300211 -2587 6.25591118 -0.00274552 -0.00299335 -2588 6.25829166 -0.00273841 -0.00298461 -2589 6.26067213 -0.00273131 -0.00297591 -2590 6.26305261 -0.00272424 -0.00296723 -2591 6.26543309 -0.00271719 -0.00295857 -2592 6.26781356 -0.00271015 -0.00294995 -2593 6.27019404 -0.00270314 -0.00294135 -2594 6.27257451 -0.00269615 -0.00293279 -2595 6.27495499 -0.00268918 -0.00292424 -2596 6.27733547 -0.00268223 -0.00291573 -2597 6.27971594 -0.00267530 -0.00290724 -2598 6.28209642 -0.00266839 -0.00289878 -2599 6.28447690 -0.00266149 -0.00289035 -2600 6.28685737 -0.00265462 -0.00288195 -2601 6.28923785 -0.00264777 -0.00287357 -2602 6.29161832 -0.00264094 -0.00286522 -2603 6.29399880 -0.00263413 -0.00285689 -2604 6.29637928 -0.00262734 -0.00284860 -2605 6.29875975 -0.00262057 -0.00284032 -2606 6.30114023 -0.00261382 -0.00283208 -2607 6.30352070 -0.00260709 -0.00282386 -2608 6.30590118 -0.00260038 -0.00281567 -2609 6.30828166 -0.00259368 -0.00280750 -2610 6.31066213 -0.00258701 -0.00279936 -2611 6.31304261 -0.00258035 -0.00279125 -2612 6.31542308 -0.00257372 -0.00278316 -2613 6.31780356 -0.00256710 -0.00277510 -2614 6.32018404 -0.00256051 -0.00276706 -2615 6.32256451 -0.00255393 -0.00275905 -2616 6.32494499 -0.00254737 -0.00275107 -2617 6.32732547 -0.00254083 -0.00274311 -2618 6.32970594 -0.00253431 -0.00273517 -2619 6.33208642 -0.00252781 -0.00272726 -2620 6.33446689 -0.00252133 -0.00271938 -2621 6.33684737 -0.00251486 -0.00271152 -2622 6.33922785 -0.00250842 -0.00270369 -2623 6.34160832 -0.00250199 -0.00269588 -2624 6.34398880 -0.00249558 -0.00268810 -2625 6.34636927 -0.00248919 -0.00268034 -2626 6.34874975 -0.00248282 -0.00267260 -2627 6.35113023 -0.00247647 -0.00266490 -2628 6.35351070 -0.00247013 -0.00265721 -2629 6.35589118 -0.00246382 -0.00264955 -2630 6.35827165 -0.00245752 -0.00264191 -2631 6.36065213 -0.00245124 -0.00263430 -2632 6.36303261 -0.00244498 -0.00262671 -2633 6.36541308 -0.00243873 -0.00261915 -2634 6.36779356 -0.00243251 -0.00261161 -2635 6.37017403 -0.00242630 -0.00260410 -2636 6.37255451 -0.00242011 -0.00259660 -2637 6.37493499 -0.00241394 -0.00258914 -2638 6.37731546 -0.00240778 -0.00258169 -2639 6.37969594 -0.00240165 -0.00257427 -2640 6.38207642 -0.00239553 -0.00256688 -2641 6.38445689 -0.00238943 -0.00255950 -2642 6.38683737 -0.00238334 -0.00255215 -2643 6.38921784 -0.00237728 -0.00254483 -2644 6.39159832 -0.00237123 -0.00253752 -2645 6.39397880 -0.00236519 -0.00253024 -2646 6.39635927 -0.00235918 -0.00252298 -2647 6.39873975 -0.00235318 -0.00251575 -2648 6.40112022 -0.00234720 -0.00250854 -2649 6.40350070 -0.00234124 -0.00250135 -2650 6.40588118 -0.00233529 -0.00249418 -2651 6.40826165 -0.00232937 -0.00248704 -2652 6.41064213 -0.00232345 -0.00247992 -2653 6.41302260 -0.00231756 -0.00247282 -2654 6.41540308 -0.00231168 -0.00246575 -2655 6.41778356 -0.00230582 -0.00245869 -2656 6.42016403 -0.00229997 -0.00245166 -2657 6.42254451 -0.00229415 -0.00244465 -2658 6.42492498 -0.00228834 -0.00243767 -2659 6.42730546 -0.00228254 -0.00243070 -2660 6.42968594 -0.00227676 -0.00242376 -2661 6.43206641 -0.00227100 -0.00241684 -2662 6.43444689 -0.00226526 -0.00240994 -2663 6.43682737 -0.00225953 -0.00240306 -2664 6.43920784 -0.00225382 -0.00239621 -2665 6.44158832 -0.00224812 -0.00238937 -2666 6.44396879 -0.00224244 -0.00238256 -2667 6.44634927 -0.00223678 -0.00237577 -2668 6.44872975 -0.00223113 -0.00236900 -2669 6.45111022 -0.00222550 -0.00236225 -2670 6.45349070 -0.00221988 -0.00235553 -2671 6.45587117 -0.00221428 -0.00234882 -2672 6.45825165 -0.00220870 -0.00234214 -2673 6.46063213 -0.00220313 -0.00233547 -2674 6.46301260 -0.00219758 -0.00232883 -2675 6.46539308 -0.00219204 -0.00232221 -2676 6.46777355 -0.00218652 -0.00231561 -2677 6.47015403 -0.00218102 -0.00230903 -2678 6.47253451 -0.00217553 -0.00230247 -2679 6.47491498 -0.00217006 -0.00229593 -2680 6.47729546 -0.00216460 -0.00228941 -2681 6.47967594 -0.00215916 -0.00228291 -2682 6.48205641 -0.00215373 -0.00227644 -2683 6.48443689 -0.00214832 -0.00226998 -2684 6.48681736 -0.00214292 -0.00226354 -2685 6.48919784 -0.00213754 -0.00225713 -2686 6.49157832 -0.00213218 -0.00225073 -2687 6.49395879 -0.00212683 -0.00224435 -2688 6.49633927 -0.00212149 -0.00223800 -2689 6.49871974 -0.00211617 -0.00223166 -2690 6.50110022 -0.00211087 -0.00222534 -2691 6.50348070 -0.00210558 -0.00221905 -2692 6.50586117 -0.00210030 -0.00221277 -2693 6.50824165 -0.00209504 -0.00220651 -2694 6.51062212 -0.00208980 -0.00220027 -2695 6.51300260 -0.00208457 -0.00219406 -2696 6.51538308 -0.00207935 -0.00218786 -2697 6.51776355 -0.00207415 -0.00218168 -2698 6.52014403 -0.00206897 -0.00217552 -2699 6.52252450 -0.00206379 -0.00216938 -2700 6.52490498 -0.00205864 -0.00216325 -2701 6.52728546 -0.00205350 -0.00215715 -2702 6.52966593 -0.00204837 -0.00215107 -2703 6.53204641 -0.00204325 -0.00214500 -2704 6.53442689 -0.00203816 -0.00213896 -2705 6.53680736 -0.00203307 -0.00213293 -2706 6.53918784 -0.00202800 -0.00212692 -2707 6.54156831 -0.00202294 -0.00212093 -2708 6.54394879 -0.00201790 -0.00211496 -2709 6.54632927 -0.00201288 -0.00210901 -2710 6.54870974 -0.00200786 -0.00210307 -2711 6.55109022 -0.00200286 -0.00209716 -2712 6.55347069 -0.00199788 -0.00209126 -2713 6.55585117 -0.00199291 -0.00208538 -2714 6.55823165 -0.00198795 -0.00207952 -2715 6.56061212 -0.00198301 -0.00207368 -2716 6.56299260 -0.00197808 -0.00206786 -2717 6.56537307 -0.00197316 -0.00206205 -2718 6.56775355 -0.00196826 -0.00205627 -2719 6.57013403 -0.00196337 -0.00205050 -2720 6.57251450 -0.00195850 -0.00204474 -2721 6.57489498 -0.00195364 -0.00203901 -2722 6.57727546 -0.00194879 -0.00203329 -2723 6.57965593 -0.00194396 -0.00202760 -2724 6.58203641 -0.00193914 -0.00202192 -2725 6.58441688 -0.00193433 -0.00201625 -2726 6.58679736 -0.00192954 -0.00201061 -2727 6.58917784 -0.00192476 -0.00200498 -2728 6.59155831 -0.00191999 -0.00199937 -2729 6.59393879 -0.00191524 -0.00199378 -2730 6.59631926 -0.00191050 -0.00198820 -2731 6.59869974 -0.00190577 -0.00198264 -2732 6.60108022 -0.00190106 -0.00197710 -2733 6.60346069 -0.00189636 -0.00197158 -2734 6.60584117 -0.00189167 -0.00196607 -2735 6.60822164 -0.00188700 -0.00196058 -2736 6.61060212 -0.00188234 -0.00195511 -2737 6.61298260 -0.00187769 -0.00194965 -2738 6.61536307 -0.00187306 -0.00194421 -2739 6.61774355 -0.00186843 -0.00193879 -2740 6.62012402 -0.00186383 -0.00193338 -2741 6.62250450 -0.00185923 -0.00192799 -2742 6.62488498 -0.00185465 -0.00192262 -2743 6.62726545 -0.00185008 -0.00191727 -2744 6.62964593 -0.00184552 -0.00191193 -2745 6.63202641 -0.00184097 -0.00190660 -2746 6.63440688 -0.00183644 -0.00190130 -2747 6.63678736 -0.00183192 -0.00189601 -2748 6.63916783 -0.00182741 -0.00189073 -2749 6.64154831 -0.00182292 -0.00188548 -2750 6.64392879 -0.00181844 -0.00188024 -2751 6.64630926 -0.00181397 -0.00187501 -2752 6.64868974 -0.00180951 -0.00186980 -2753 6.65107021 -0.00180507 -0.00186461 -2754 6.65345069 -0.00180063 -0.00185943 -2755 6.65583117 -0.00179621 -0.00185427 -2756 6.65821164 -0.00179181 -0.00184913 -2757 6.66059212 -0.00178741 -0.00184400 -2758 6.66297259 -0.00178303 -0.00183888 -2759 6.66535307 -0.00177865 -0.00183379 -2760 6.66773355 -0.00177430 -0.00182870 -2761 6.67011402 -0.00176995 -0.00182364 -2762 6.67249450 -0.00176561 -0.00181859 -2763 6.67487497 -0.00176129 -0.00181355 -2764 6.67725545 -0.00175698 -0.00180853 -2765 6.67963593 -0.00175268 -0.00180353 -2766 6.68201640 -0.00174839 -0.00179854 -2767 6.68439688 -0.00174412 -0.00179356 -2768 6.68677736 -0.00173985 -0.00178860 -2769 6.68915783 -0.00173560 -0.00178366 -2770 6.69153831 -0.00173136 -0.00177873 -2771 6.69391878 -0.00172713 -0.00177382 -2772 6.69629926 -0.00172292 -0.00176892 -2773 6.69867974 -0.00171871 -0.00176404 -2774 6.70106021 -0.00171452 -0.00175917 -2775 6.70344069 -0.00171034 -0.00175432 -2776 6.70582116 -0.00170617 -0.00174948 -2777 6.70820164 -0.00170201 -0.00174466 -2778 6.71058212 -0.00169786 -0.00173985 -2779 6.71296259 -0.00169372 -0.00173505 -2780 6.71534307 -0.00168960 -0.00173027 -2781 6.71772354 -0.00168549 -0.00172551 -2782 6.72010402 -0.00168138 -0.00172076 -2783 6.72248450 -0.00167729 -0.00171602 -2784 6.72486497 -0.00167321 -0.00171130 -2785 6.72724545 -0.00166915 -0.00170659 -2786 6.72962593 -0.00166509 -0.00170190 -2787 6.73200640 -0.00166104 -0.00169722 -2788 6.73438688 -0.00165701 -0.00169256 -2789 6.73676735 -0.00165299 -0.00168791 -2790 6.73914783 -0.00164897 -0.00168327 -2791 6.74152831 -0.00164497 -0.00167865 -2792 6.74390878 -0.00164098 -0.00167404 -2793 6.74628926 -0.00163700 -0.00166945 -2794 6.74866973 -0.00163303 -0.00166487 -2795 6.75105021 -0.00162907 -0.00166030 -2796 6.75343069 -0.00162513 -0.00165575 -2797 6.75581116 -0.00162119 -0.00165122 -2798 6.75819164 -0.00161727 -0.00164669 -2799 6.76057211 -0.00161335 -0.00164218 -2800 6.76295259 -0.00160945 -0.00163768 -2801 6.76533307 -0.00160555 -0.00163320 -2802 6.76771354 -0.00160167 -0.00162873 -2803 6.77009402 -0.00159780 -0.00162428 -2804 6.77247449 -0.00159394 -0.00161983 -2805 6.77485497 -0.00159009 -0.00161541 -2806 6.77723545 -0.00158625 -0.00161099 -2807 6.77961592 -0.00158242 -0.00160659 -2808 6.78199640 -0.00157860 -0.00160220 -2809 6.78437688 -0.00157479 -0.00159783 -2810 6.78675735 -0.00157099 -0.00159346 -2811 6.78913783 -0.00156720 -0.00158911 -2812 6.79151830 -0.00156343 -0.00158478 -2813 6.79389878 -0.00155966 -0.00158046 -2814 6.79627926 -0.00155590 -0.00157615 -2815 6.79865973 -0.00155216 -0.00157185 -2816 6.80104021 -0.00154842 -0.00156757 -2817 6.80342068 -0.00154469 -0.00156330 -2818 6.80580116 -0.00154098 -0.00155904 -2819 6.80818164 -0.00153727 -0.00155480 -2820 6.81056211 -0.00153357 -0.00155056 -2821 6.81294259 -0.00152989 -0.00154635 -2822 6.81532306 -0.00152621 -0.00154214 -2823 6.81770354 -0.00152255 -0.00153795 -2824 6.82008402 -0.00151889 -0.00153377 -2825 6.82246449 -0.00151524 -0.00152960 -2826 6.82484497 -0.00151161 -0.00152544 -2827 6.82722545 -0.00150798 -0.00152130 -2828 6.82960592 -0.00150436 -0.00151717 -2829 6.83198640 -0.00150076 -0.00151305 -2830 6.83436687 -0.00149716 -0.00150894 -2831 6.83674735 -0.00149357 -0.00150485 -2832 6.83912783 -0.00149000 -0.00150077 -2833 6.84150830 -0.00148643 -0.00149670 -2834 6.84388878 -0.00148287 -0.00149264 -2835 6.84626925 -0.00147932 -0.00148860 -2836 6.84864973 -0.00147578 -0.00148457 -2837 6.85103021 -0.00147225 -0.00148055 -2838 6.85341068 -0.00146873 -0.00147654 -2839 6.85579116 -0.00146522 -0.00147254 -2840 6.85817163 -0.00146172 -0.00146856 -2841 6.86055211 -0.00145823 -0.00146459 -2842 6.86293259 -0.00145475 -0.00146063 -2843 6.86531306 -0.00145128 -0.00145668 -2844 6.86769354 -0.00144782 -0.00145275 -2845 6.87007401 -0.00144436 -0.00144882 -2846 6.87245449 -0.00144092 -0.00144491 -2847 6.87483497 -0.00143748 -0.00144101 -2848 6.87721544 -0.00143406 -0.00143712 -2849 6.87959592 -0.00143064 -0.00143324 -2850 6.88197640 -0.00142723 -0.00142938 -2851 6.88435687 -0.00142384 -0.00142552 -2852 6.88673735 -0.00142045 -0.00142168 -2853 6.88911782 -0.00141707 -0.00141785 -2854 6.89149830 -0.00141370 -0.00141403 -2855 6.89387878 -0.00141033 -0.00141022 -2856 6.89625925 -0.00140698 -0.00140642 -2857 6.89863973 -0.00140364 -0.00140264 -2858 6.90102020 -0.00140030 -0.00139886 -2859 6.90340068 -0.00139698 -0.00139510 -2860 6.90578116 -0.00139366 -0.00139135 -2861 6.90816163 -0.00139035 -0.00138761 -2862 6.91054211 -0.00138706 -0.00138388 -2863 6.91292258 -0.00138377 -0.00138016 -2864 6.91530306 -0.00138049 -0.00137645 -2865 6.91768354 -0.00137721 -0.00137276 -2866 6.92006401 -0.00137395 -0.00136907 -2867 6.92244449 -0.00137069 -0.00136540 -2868 6.92482496 -0.00136745 -0.00136174 -2869 6.92720544 -0.00136421 -0.00135808 -2870 6.92958592 -0.00136098 -0.00135444 -2871 6.93196639 -0.00135776 -0.00135081 -2872 6.93434687 -0.00135455 -0.00134719 -2873 6.93672735 -0.00135135 -0.00134358 -2874 6.93910782 -0.00134816 -0.00133999 -2875 6.94148830 -0.00134497 -0.00133640 -2876 6.94386877 -0.00134179 -0.00133282 -2877 6.94624925 -0.00133862 -0.00132926 -2878 6.94862973 -0.00133546 -0.00132570 -2879 6.95101020 -0.00133231 -0.00132216 -2880 6.95339068 -0.00132917 -0.00131862 -2881 6.95577115 -0.00132603 -0.00131510 -2882 6.95815163 -0.00132291 -0.00131159 -2883 6.96053211 -0.00131979 -0.00130808 -2884 6.96291258 -0.00131668 -0.00130459 -2885 6.96529306 -0.00131358 -0.00130111 -2886 6.96767353 -0.00131049 -0.00129764 -2887 6.97005401 -0.00130740 -0.00129418 -2888 6.97243449 -0.00130432 -0.00129072 -2889 6.97481496 -0.00130126 -0.00128728 -2890 6.97719544 -0.00129820 -0.00128385 -2891 6.97957592 -0.00129514 -0.00128043 -2892 6.98195639 -0.00129210 -0.00127702 -2893 6.98433687 -0.00128906 -0.00127362 -2894 6.98671734 -0.00128604 -0.00127023 -2895 6.98909782 -0.00128302 -0.00126685 -2896 6.99147830 -0.00128000 -0.00126348 -2897 6.99385877 -0.00127700 -0.00126012 -2898 6.99623925 -0.00127401 -0.00125677 -2899 6.99861972 -0.00127102 -0.00125343 -2900 7.00100020 -0.00126804 -0.00125010 -2901 7.00338068 -0.00126507 -0.00124678 -2902 7.00576115 -0.00126210 -0.00124347 -2903 7.00814163 -0.00125915 -0.00124017 -2904 7.01052210 -0.00125620 -0.00123688 -2905 7.01290258 -0.00125326 -0.00123359 -2906 7.01528306 -0.00125032 -0.00123032 -2907 7.01766353 -0.00124740 -0.00122706 -2908 7.02004401 -0.00124448 -0.00122381 -2909 7.02242448 -0.00124157 -0.00122056 -2910 7.02480496 -0.00123867 -0.00121733 -2911 7.02718544 -0.00123578 -0.00121411 -2912 7.02956591 -0.00123289 -0.00121089 -2913 7.03194639 -0.00123001 -0.00120769 -2914 7.03432687 -0.00122714 -0.00120449 -2915 7.03670734 -0.00122428 -0.00120131 -2916 7.03908782 -0.00122142 -0.00119813 -2917 7.04146829 -0.00121857 -0.00119496 -2918 7.04384877 -0.00121573 -0.00119180 -2919 7.04622925 -0.00121290 -0.00118865 -2920 7.04860972 -0.00121007 -0.00118551 -2921 7.05099020 -0.00120726 -0.00118238 -2922 7.05337067 -0.00120444 -0.00117926 -2923 7.05575115 -0.00120164 -0.00117615 -2924 7.05813163 -0.00119884 -0.00117305 -2925 7.06051210 -0.00119606 -0.00116995 -2926 7.06289258 -0.00119327 -0.00116687 -2927 7.06527305 -0.00119050 -0.00116379 -2928 7.06765353 -0.00118773 -0.00116073 -2929 7.07003401 -0.00118497 -0.00115767 -2930 7.07241448 -0.00118222 -0.00115462 -2931 7.07479496 -0.00117948 -0.00115158 -2932 7.07717544 -0.00117674 -0.00114855 -2933 7.07955591 -0.00117401 -0.00114553 -2934 7.08193639 -0.00117129 -0.00114252 -2935 7.08431686 -0.00116857 -0.00113951 -2936 7.08669734 -0.00116586 -0.00113652 -2937 7.08907782 -0.00116316 -0.00113353 -2938 7.09145829 -0.00116046 -0.00113055 -2939 7.09383877 -0.00115778 -0.00112758 -2940 7.09621924 -0.00115510 -0.00112462 -2941 7.09859972 -0.00115242 -0.00112167 -2942 7.10098020 -0.00114976 -0.00111873 -2943 7.10336067 -0.00114710 -0.00111579 -2944 7.10574115 -0.00114444 -0.00111287 -2945 7.10812162 -0.00114180 -0.00110995 -2946 7.11050210 -0.00113916 -0.00110704 -2947 7.11288258 -0.00113653 -0.00110414 -2948 7.11526305 -0.00113390 -0.00110125 -2949 7.11764353 -0.00113128 -0.00109836 -2950 7.12002400 -0.00112867 -0.00109549 -2951 7.12240448 -0.00112607 -0.00109262 -2952 7.12478496 -0.00112347 -0.00108976 -2953 7.12716543 -0.00112088 -0.00108691 -2954 7.12954591 -0.00111830 -0.00108407 -2955 7.13192639 -0.00111572 -0.00108124 -2956 7.13430686 -0.00111315 -0.00107841 -2957 7.13668734 -0.00111058 -0.00107559 -2958 7.13906781 -0.00110803 -0.00107279 -2959 7.14144829 -0.00110548 -0.00106998 -2960 7.14382877 -0.00110293 -0.00106719 -2961 7.14620924 -0.00110040 -0.00106441 -2962 7.14858972 -0.00109787 -0.00106163 -2963 7.15097019 -0.00109534 -0.00105886 -2964 7.15335067 -0.00109282 -0.00105610 -2965 7.15573115 -0.00109031 -0.00105335 -2966 7.15811162 -0.00108781 -0.00105061 -2967 7.16049210 -0.00108531 -0.00104787 -2968 7.16287257 -0.00108282 -0.00104514 -2969 7.16525305 -0.00108034 -0.00104242 -2970 7.16763353 -0.00107786 -0.00103971 -2971 7.17001400 -0.00107539 -0.00103700 -2972 7.17239448 -0.00107292 -0.00103431 -2973 7.17477495 -0.00107046 -0.00103162 -2974 7.17715543 -0.00106801 -0.00102893 -2975 7.17953591 -0.00106556 -0.00102626 -2976 7.18191638 -0.00106312 -0.00102360 -2977 7.18429686 -0.00106069 -0.00102094 -2978 7.18667734 -0.00105826 -0.00101829 -2979 7.18905781 -0.00105584 -0.00101564 -2980 7.19143829 -0.00105343 -0.00101301 -2981 7.19381876 -0.00105102 -0.00101038 -2982 7.19619924 -0.00104862 -0.00100776 -2983 7.19857972 -0.00104622 -0.00100515 -2984 7.20096019 -0.00104383 -0.00100254 -2985 7.20334067 -0.00104145 -0.00099995 -2986 7.20572114 -0.00103907 -0.00099736 -2987 7.20810162 -0.00103670 -0.00099477 -2988 7.21048210 -0.00103433 -0.00099220 -2989 7.21286257 -0.00103198 -0.00098963 -2990 7.21524305 -0.00102962 -0.00098707 -2991 7.21762352 -0.00102728 -0.00098452 -2992 7.22000400 -0.00102494 -0.00098197 -2993 7.22238448 -0.00102260 -0.00097944 -2994 7.22476495 -0.00102027 -0.00097691 -2995 7.22714543 -0.00101795 -0.00097438 -2996 7.22952591 -0.00101563 -0.00097187 -2997 7.23190638 -0.00101332 -0.00096936 -2998 7.23428686 -0.00101102 -0.00096686 -2999 7.23666733 -0.00100872 -0.00096436 -3000 7.23904781 -0.00100643 -0.00096187 -3001 7.24142829 -0.00100414 -0.00095939 -3002 7.24380876 -0.00100186 -0.00095692 -3003 7.24618924 -0.00099958 -0.00095445 -3004 7.24856971 -0.00099732 -0.00095200 -3005 7.25095019 -0.00099505 -0.00094954 -3006 7.25333067 -0.00099279 -0.00094710 -3007 7.25571114 -0.00099054 -0.00094466 -3008 7.25809162 -0.00098830 -0.00094223 -3009 7.26047209 -0.00098606 -0.00093981 -3010 7.26285257 -0.00098382 -0.00093739 -3011 7.26523305 -0.00098159 -0.00093498 -3012 7.26761352 -0.00097937 -0.00093258 -3013 7.26999400 -0.00097715 -0.00093018 -3014 7.27237447 -0.00097494 -0.00092779 -3015 7.27475495 -0.00097274 -0.00092541 -3016 7.27713543 -0.00097054 -0.00092303 -3017 7.27951590 -0.00096834 -0.00092066 -3018 7.28189638 -0.00096615 -0.00091830 -3019 7.28427686 -0.00096397 -0.00091595 -3020 7.28665733 -0.00096179 -0.00091360 -3021 7.28903781 -0.00095962 -0.00091126 -3022 7.29141828 -0.00095745 -0.00090892 -3023 7.29379876 -0.00095529 -0.00090659 -3024 7.29617924 -0.00095314 -0.00090427 -3025 7.29855971 -0.00095099 -0.00090196 -3026 7.30094019 -0.00094884 -0.00089965 -3027 7.30332066 -0.00094671 -0.00089735 -3028 7.30570114 -0.00094457 -0.00089505 -3029 7.30808162 -0.00094244 -0.00089276 -3030 7.31046209 -0.00094032 -0.00089048 -3031 7.31284257 -0.00093820 -0.00088820 -3032 7.31522304 -0.00093609 -0.00088593 -3033 7.31760352 -0.00093399 -0.00088367 -3034 7.31998400 -0.00093189 -0.00088141 -3035 7.32236447 -0.00092979 -0.00087916 -3036 7.32474495 -0.00092770 -0.00087692 -3037 7.32712543 -0.00092562 -0.00087468 -3038 7.32950590 -0.00092354 -0.00087245 -3039 7.33188638 -0.00092146 -0.00087023 -3040 7.33426685 -0.00091939 -0.00086801 -3041 7.33664733 -0.00091733 -0.00086580 -3042 7.33902781 -0.00091527 -0.00086359 -3043 7.34140828 -0.00091322 -0.00086139 -3044 7.34378876 -0.00091117 -0.00085920 -3045 7.34616923 -0.00090913 -0.00085701 -3046 7.34854971 -0.00090709 -0.00085483 -3047 7.35093019 -0.00090506 -0.00085266 -3048 7.35331066 -0.00090303 -0.00085049 -3049 7.35569114 -0.00090101 -0.00084833 -3050 7.35807161 -0.00089899 -0.00084617 -3051 7.36045209 -0.00089698 -0.00084402 -3052 7.36283257 -0.00089497 -0.00084188 -3053 7.36521304 -0.00089297 -0.00083974 -3054 7.36759352 -0.00089097 -0.00083761 -3055 7.36997399 -0.00088898 -0.00083548 -3056 7.37235447 -0.00088700 -0.00083336 -3057 7.37473495 -0.00088502 -0.00083125 -3058 7.37711542 -0.00088304 -0.00082914 -3059 7.37949590 -0.00088107 -0.00082704 -3060 7.38187638 -0.00087910 -0.00082494 -3061 7.38425685 -0.00087714 -0.00082285 -3062 7.38663733 -0.00087518 -0.00082077 -3063 7.38901780 -0.00087323 -0.00081869 -3064 7.39139828 -0.00087129 -0.00081662 -3065 7.39377876 -0.00086935 -0.00081455 -3066 7.39615923 -0.00086741 -0.00081249 -3067 7.39853971 -0.00086548 -0.00081044 -3068 7.40092018 -0.00086355 -0.00080839 -3069 7.40330066 -0.00086163 -0.00080634 -3070 7.40568114 -0.00085971 -0.00080431 -3071 7.40806161 -0.00085780 -0.00080228 -3072 7.41044209 -0.00085589 -0.00080025 -3073 7.41282256 -0.00085399 -0.00079823 -3074 7.41520304 -0.00085209 -0.00079622 -3075 7.41758352 -0.00085020 -0.00079421 -3076 7.41996399 -0.00084831 -0.00079220 -3077 7.42234447 -0.00084643 -0.00079021 -3078 7.42472494 -0.00084455 -0.00078821 -3079 7.42710542 -0.00084267 -0.00078623 -3080 7.42948590 -0.00084080 -0.00078425 -3081 7.43186637 -0.00083894 -0.00078227 -3082 7.43424685 -0.00083708 -0.00078030 -3083 7.43662733 -0.00083523 -0.00077834 -3084 7.43900780 -0.00083337 -0.00077638 -3085 7.44138828 -0.00083153 -0.00077443 -3086 7.44376875 -0.00082969 -0.00077248 -3087 7.44614923 -0.00082785 -0.00077054 -3088 7.44852971 -0.00082602 -0.00076860 -3089 7.45091018 -0.00082419 -0.00076667 -3090 7.45329066 -0.00082237 -0.00076474 -3091 7.45567113 -0.00082055 -0.00076282 -3092 7.45805161 -0.00081874 -0.00076091 -3093 7.46043209 -0.00081693 -0.00075900 -3094 7.46281256 -0.00081512 -0.00075709 -3095 7.46519304 -0.00081332 -0.00075519 -3096 7.46757351 -0.00081153 -0.00075330 -3097 7.46995399 -0.00080974 -0.00075141 -3098 7.47233447 -0.00080795 -0.00074953 -3099 7.47471494 -0.00080617 -0.00074765 -3100 7.47709542 -0.00080439 -0.00074578 -3101 7.47947590 -0.00080262 -0.00074391 -3102 7.48185637 -0.00080085 -0.00074205 -3103 7.48423685 -0.00079909 -0.00074019 -3104 7.48661732 -0.00079733 -0.00073834 -3105 7.48899780 -0.00079557 -0.00073649 -3106 7.49137828 -0.00079382 -0.00073465 -3107 7.49375875 -0.00079207 -0.00073281 -3108 7.49613923 -0.00079033 -0.00073098 -3109 7.49851970 -0.00078859 -0.00072916 -3110 7.50090018 -0.00078686 -0.00072734 -3111 7.50328066 -0.00078513 -0.00072552 -3112 7.50566113 -0.00078340 -0.00072371 -3113 7.50804161 -0.00078168 -0.00072190 -3114 7.51042208 -0.00077997 -0.00072010 -3115 7.51280256 -0.00077826 -0.00071831 -3116 7.51518304 -0.00077655 -0.00071652 -3117 7.51756351 -0.00077484 -0.00071473 -3118 7.51994399 -0.00077315 -0.00071295 -3119 7.52232446 -0.00077145 -0.00071117 -3120 7.52470494 -0.00076976 -0.00070940 -3121 7.52708542 -0.00076807 -0.00070764 -3122 7.52946589 -0.00076639 -0.00070588 -3123 7.53184637 -0.00076471 -0.00070412 -3124 7.53422685 -0.00076304 -0.00070237 -3125 7.53660732 -0.00076137 -0.00070062 -3126 7.53898780 -0.00075970 -0.00069888 -3127 7.54136827 -0.00075804 -0.00069714 -3128 7.54374875 -0.00075638 -0.00069541 -3129 7.54612923 -0.00075473 -0.00069368 -3130 7.54850970 -0.00075308 -0.00069196 -3131 7.55089018 -0.00075144 -0.00069024 -3132 7.55327065 -0.00074979 -0.00068853 -3133 7.55565113 -0.00074816 -0.00068682 -3134 7.55803161 -0.00074652 -0.00068512 -3135 7.56041208 -0.00074490 -0.00068342 -3136 7.56279256 -0.00074327 -0.00068173 -3137 7.56517303 -0.00074165 -0.00068004 -3138 7.56755351 -0.00074003 -0.00067835 -3139 7.56993399 -0.00073842 -0.00067667 -3140 7.57231446 -0.00073681 -0.00067500 -3141 7.57469494 -0.00073521 -0.00067333 -3142 7.57707542 -0.00073361 -0.00067166 -3143 7.57945589 -0.00073201 -0.00067000 -3144 7.58183637 -0.00073042 -0.00066834 -3145 7.58421684 -0.00072883 -0.00066669 -3146 7.58659732 -0.00072724 -0.00066504 -3147 7.58897780 -0.00072566 -0.00066340 -3148 7.59135827 -0.00072408 -0.00066176 -3149 7.59373875 -0.00072251 -0.00066013 -3150 7.59611922 -0.00072094 -0.00065850 -3151 7.59849970 -0.00071938 -0.00065687 -3152 7.60088018 -0.00071781 -0.00065525 -3153 7.60326065 -0.00071626 -0.00065363 -3154 7.60564113 -0.00071470 -0.00065202 -3155 7.60802160 -0.00071315 -0.00065041 -3156 7.61040208 -0.00071160 -0.00064881 -3157 7.61278256 -0.00071006 -0.00064721 -3158 7.61516303 -0.00070852 -0.00064562 -3159 7.61754351 -0.00070699 -0.00064403 -3160 7.61992398 -0.00070546 -0.00064244 -3161 7.62230446 -0.00070393 -0.00064086 -3162 7.62468494 -0.00070241 -0.00063929 -3163 7.62706541 -0.00070089 -0.00063771 -3164 7.62944589 -0.00069937 -0.00063615 -3165 7.63182637 -0.00069786 -0.00063458 -3166 7.63420684 -0.00069635 -0.00063302 -3167 7.63658732 -0.00069484 -0.00063147 -3168 7.63896779 -0.00069334 -0.00062992 -3169 7.64134827 -0.00069184 -0.00062837 -3170 7.64372875 -0.00069035 -0.00062683 -3171 7.64610922 -0.00068886 -0.00062529 -3172 7.64848970 -0.00068737 -0.00062376 -3173 7.65087017 -0.00068589 -0.00062223 -3174 7.65325065 -0.00068441 -0.00062070 -3175 7.65563113 -0.00068294 -0.00061918 -3176 7.65801160 -0.00068146 -0.00061766 -3177 7.66039208 -0.00068000 -0.00061615 -3178 7.66277255 -0.00067853 -0.00061464 -3179 7.66515303 -0.00067707 -0.00061314 -3180 7.66753351 -0.00067561 -0.00061164 -3181 7.66991398 -0.00067416 -0.00061014 -3182 7.67229446 -0.00067271 -0.00060865 -3183 7.67467493 -0.00067126 -0.00060716 -3184 7.67705541 -0.00066982 -0.00060567 -3185 7.67943589 -0.00066838 -0.00060419 -3186 7.68181636 -0.00066694 -0.00060272 -3187 7.68419684 -0.00066551 -0.00060125 -3188 7.68657732 -0.00066408 -0.00059978 -3189 7.68895779 -0.00066265 -0.00059831 -3190 7.69133827 -0.00066123 -0.00059685 -3191 7.69371874 -0.00065981 -0.00059540 -3192 7.69609922 -0.00065839 -0.00059394 -3193 7.69847970 -0.00065698 -0.00059250 -3194 7.70086017 -0.00065557 -0.00059105 -3195 7.70324065 -0.00065417 -0.00058961 -3196 7.70562112 -0.00065277 -0.00058817 -3197 7.70800160 -0.00065137 -0.00058674 -3198 7.71038208 -0.00064997 -0.00058531 -3199 7.71276255 -0.00064858 -0.00058389 -3200 7.71514303 -0.00064719 -0.00058247 -3201 7.71752350 -0.00064581 -0.00058105 -3202 7.71990398 -0.00064443 -0.00057964 -3203 7.72228446 -0.00064305 -0.00057823 -3204 7.72466493 -0.00064167 -0.00057682 -3205 7.72704541 -0.00064030 -0.00057542 -3206 7.72942589 -0.00063893 -0.00057402 -3207 7.73180636 -0.00063757 -0.00057263 -3208 7.73418684 -0.00063621 -0.00057124 -3209 7.73656731 -0.00063485 -0.00056985 -3210 7.73894779 -0.00063349 -0.00056847 -3211 7.74132827 -0.00063214 -0.00056709 -3212 7.74370874 -0.00063079 -0.00056572 -3213 7.74608922 -0.00062945 -0.00056434 -3214 7.74846969 -0.00062811 -0.00056298 -3215 7.75085017 -0.00062677 -0.00056161 -3216 7.75323065 -0.00062543 -0.00056025 -3217 7.75561112 -0.00062410 -0.00055889 -3218 7.75799160 -0.00062277 -0.00055754 -3219 7.76037207 -0.00062145 -0.00055619 -3220 7.76275255 -0.00062012 -0.00055485 -3221 7.76513303 -0.00061881 -0.00055350 -3222 7.76751350 -0.00061749 -0.00055217 -3223 7.76989398 -0.00061618 -0.00055083 -3224 7.77227445 -0.00061487 -0.00054950 -3225 7.77465493 -0.00061356 -0.00054817 -3226 7.77703541 -0.00061226 -0.00054685 -3227 7.77941588 -0.00061096 -0.00054553 -3228 7.78179636 -0.00060966 -0.00054421 -3229 7.78417684 -0.00060837 -0.00054290 -3230 7.78655731 -0.00060708 -0.00054159 -3231 7.78893779 -0.00060579 -0.00054028 -3232 7.79131826 -0.00060450 -0.00053898 -3233 7.79369874 -0.00060322 -0.00053768 -3234 7.79607922 -0.00060194 -0.00053638 -3235 7.79845969 -0.00060067 -0.00053509 -3236 7.80084017 -0.00059940 -0.00053380 -3237 7.80322064 -0.00059813 -0.00053252 -3238 7.80560112 -0.00059686 -0.00053123 -3239 7.80798160 -0.00059560 -0.00052995 -3240 7.81036207 -0.00059434 -0.00052868 -3241 7.81274255 -0.00059308 -0.00052741 -3242 7.81512302 -0.00059183 -0.00052614 -3243 7.81750350 -0.00059058 -0.00052488 -3244 7.81988398 -0.00058933 -0.00052361 -3245 7.82226445 -0.00058808 -0.00052236 -3246 7.82464493 -0.00058684 -0.00052110 -3247 7.82702541 -0.00058560 -0.00051985 -3248 7.82940588 -0.00058437 -0.00051860 -3249 7.83178636 -0.00058313 -0.00051736 -3250 7.83416683 -0.00058190 -0.00051612 -3251 7.83654731 -0.00058068 -0.00051488 -3252 7.83892779 -0.00057945 -0.00051364 -3253 7.84130826 -0.00057823 -0.00051241 -3254 7.84368874 -0.00057701 -0.00051118 -3255 7.84606921 -0.00057580 -0.00050996 -3256 7.84844969 -0.00057458 -0.00050874 -3257 7.85083017 -0.00057337 -0.00050752 -3258 7.85321064 -0.00057217 -0.00050631 -3259 7.85559112 -0.00057096 -0.00050509 -3260 7.85797159 -0.00056976 -0.00050389 -3261 7.86035207 -0.00056856 -0.00050268 -3262 7.86273255 -0.00056737 -0.00050148 -3263 7.86511302 -0.00056618 -0.00050028 -3264 7.86749350 -0.00056499 -0.00049908 -3265 7.86987397 -0.00056380 -0.00049789 -3266 7.87225445 -0.00056262 -0.00049670 -3267 7.87463493 -0.00056144 -0.00049552 -3268 7.87701540 -0.00056026 -0.00049433 -3269 7.87939588 -0.00055908 -0.00049315 -3270 7.88177636 -0.00055791 -0.00049198 -3271 7.88415683 -0.00055674 -0.00049080 -3272 7.88653731 -0.00055557 -0.00048963 -3273 7.88891778 -0.00055441 -0.00048847 -3274 7.89129826 -0.00055325 -0.00048730 -3275 7.89367874 -0.00055209 -0.00048614 -3276 7.89605921 -0.00055093 -0.00048498 -3277 7.89843969 -0.00054978 -0.00048383 -3278 7.90082016 -0.00054863 -0.00048268 -3279 7.90320064 -0.00054748 -0.00048153 -3280 7.90558112 -0.00054634 -0.00048038 -3281 7.90796159 -0.00054519 -0.00047924 -3282 7.91034207 -0.00054406 -0.00047810 -3283 7.91272254 -0.00054292 -0.00047697 -3284 7.91510302 -0.00054178 -0.00047583 -3285 7.91748350 -0.00054065 -0.00047470 -3286 7.91986397 -0.00053952 -0.00047357 -3287 7.92224445 -0.00053840 -0.00047245 -3288 7.92462492 -0.00053728 -0.00047133 -3289 7.92700540 -0.00053615 -0.00047021 -3290 7.92938588 -0.00053504 -0.00046910 -3291 7.93176635 -0.00053392 -0.00046798 -3292 7.93414683 -0.00053281 -0.00046687 -3293 7.93652731 -0.00053170 -0.00046577 -3294 7.93890778 -0.00053059 -0.00046466 -3295 7.94128826 -0.00052949 -0.00046356 -3296 7.94366873 -0.00052838 -0.00046246 -3297 7.94604921 -0.00052728 -0.00046137 -3298 7.94842969 -0.00052619 -0.00046028 -3299 7.95081016 -0.00052509 -0.00045919 -3300 7.95319064 -0.00052400 -0.00045810 -3301 7.95557111 -0.00052291 -0.00045702 -3302 7.95795159 -0.00052183 -0.00045594 -3303 7.96033207 -0.00052074 -0.00045486 -3304 7.96271254 -0.00051966 -0.00045379 -3305 7.96509302 -0.00051858 -0.00045271 -3306 7.96747349 -0.00051750 -0.00045164 -3307 7.96985397 -0.00051643 -0.00045058 -3308 7.97223445 -0.00051536 -0.00044951 -3309 7.97461492 -0.00051429 -0.00044845 -3310 7.97699540 -0.00051322 -0.00044740 -3311 7.97937588 -0.00051216 -0.00044634 -3312 7.98175635 -0.00051110 -0.00044529 -3313 7.98413683 -0.00051004 -0.00044424 -3314 7.98651730 -0.00050898 -0.00044319 -3315 7.98889778 -0.00050793 -0.00044215 -3316 7.99127826 -0.00050688 -0.00044111 -3317 7.99365873 -0.00050583 -0.00044007 -3318 7.99603921 -0.00050478 -0.00043903 -3319 7.99841968 -0.00050374 -0.00043800 -3320 8.00080016 -0.00050270 -0.00043697 -3321 8.00318064 -0.00050166 -0.00043594 -3322 8.00556111 -0.00050062 -0.00043492 -3323 8.00794159 -0.00049959 -0.00043389 -3324 8.01032206 -0.00049856 -0.00043288 -3325 8.01270254 -0.00049753 -0.00043186 -3326 8.01508302 -0.00049650 -0.00043084 -3327 8.01746349 -0.00049548 -0.00042983 -3328 8.01984397 -0.00049446 -0.00042882 -3329 8.02222444 -0.00049344 -0.00042782 -3330 8.02460492 -0.00049242 -0.00042681 -3331 8.02698540 -0.00049140 -0.00042581 -3332 8.02936587 -0.00049039 -0.00042481 -3333 8.03174635 -0.00048938 -0.00042382 -3334 8.03412683 -0.00048837 -0.00042283 -3335 8.03650730 -0.00048737 -0.00042184 -3336 8.03888778 -0.00048636 -0.00042085 -3337 8.04126825 -0.00048536 -0.00041986 -3338 8.04364873 -0.00048437 -0.00041888 -3339 8.04602921 -0.00048337 -0.00041790 -3340 8.04840968 -0.00048238 -0.00041692 -3341 8.05079016 -0.00048138 -0.00041595 -3342 8.05317063 -0.00048040 -0.00041497 -3343 8.05555111 -0.00047941 -0.00041400 -3344 8.05793159 -0.00047842 -0.00041304 -3345 8.06031206 -0.00047744 -0.00041207 -3346 8.06269254 -0.00047646 -0.00041111 -3347 8.06507301 -0.00047549 -0.00041015 -3348 8.06745349 -0.00047451 -0.00040919 -3349 8.06983397 -0.00047354 -0.00040824 -3350 8.07221444 -0.00047257 -0.00040728 -3351 8.07459492 -0.00047160 -0.00040634 -3352 8.07697540 -0.00047063 -0.00040539 -3353 8.07935587 -0.00046967 -0.00040444 -3354 8.08173635 -0.00046871 -0.00040350 -3355 8.08411682 -0.00046775 -0.00040256 -3356 8.08649730 -0.00046679 -0.00040162 -3357 8.08887778 -0.00046584 -0.00040069 -3358 8.09125825 -0.00046488 -0.00039976 -3359 8.09363873 -0.00046393 -0.00039882 -3360 8.09601920 -0.00046298 -0.00039790 -3361 8.09839968 -0.00046204 -0.00039697 -3362 8.10078016 -0.00046109 -0.00039605 -3363 8.10316063 -0.00046015 -0.00039513 -3364 8.10554111 -0.00045921 -0.00039421 -3365 8.10792158 -0.00045828 -0.00039329 -3366 8.11030206 -0.00045734 -0.00039238 -3367 8.11268254 -0.00045641 -0.00039147 -3368 8.11506301 -0.00045548 -0.00039056 -3369 8.11744349 -0.00045455 -0.00038965 -3370 8.11982396 -0.00045362 -0.00038875 -3371 8.12220444 -0.00045270 -0.00038785 -3372 8.12458492 -0.00045177 -0.00038695 -3373 8.12696539 -0.00045085 -0.00038605 -3374 8.12934587 -0.00044994 -0.00038516 -3375 8.13172635 -0.00044902 -0.00038427 -3376 8.13410682 -0.00044811 -0.00038338 -3377 8.13648730 -0.00044720 -0.00038249 -3378 8.13886777 -0.00044629 -0.00038160 -3379 8.14124825 -0.00044538 -0.00038072 -3380 8.14362873 -0.00044447 -0.00037984 -3381 8.14600920 -0.00044357 -0.00037896 -3382 8.14838968 -0.00044267 -0.00037808 -3383 8.15077015 -0.00044177 -0.00037721 -3384 8.15315063 -0.00044087 -0.00037634 -3385 8.15553111 -0.00043998 -0.00037547 -3386 8.15791158 -0.00043909 -0.00037460 -3387 8.16029206 -0.00043820 -0.00037374 -3388 8.16267253 -0.00043731 -0.00037287 -3389 8.16505301 -0.00043642 -0.00037201 -3390 8.16743349 -0.00043554 -0.00037115 -3391 8.16981396 -0.00043465 -0.00037030 -3392 8.17219444 -0.00043377 -0.00036944 -3393 8.17457491 -0.00043289 -0.00036859 -3394 8.17695539 -0.00043202 -0.00036774 -3395 8.17933587 -0.00043114 -0.00036690 -3396 8.18171634 -0.00043027 -0.00036605 -3397 8.18409682 -0.00042940 -0.00036521 -3398 8.18647730 -0.00042853 -0.00036437 -3399 8.18885777 -0.00042767 -0.00036353 -3400 8.19123825 -0.00042680 -0.00036269 -3401 8.19361872 -0.00042594 -0.00036186 -3402 8.19599920 -0.00042508 -0.00036103 -3403 8.19837968 -0.00042422 -0.00036020 -3404 8.20076015 -0.00042336 -0.00035937 -3405 8.20314063 -0.00042251 -0.00035854 -3406 8.20552110 -0.00042166 -0.00035772 -3407 8.20790158 -0.00042081 -0.00035690 -3408 8.21028206 -0.00041996 -0.00035608 -3409 8.21266253 -0.00041911 -0.00035526 -3410 8.21504301 -0.00041827 -0.00035445 -3411 8.21742348 -0.00041742 -0.00035363 -3412 8.21980396 -0.00041658 -0.00035282 -3413 8.22218444 -0.00041574 -0.00035201 -3414 8.22456491 -0.00041491 -0.00035121 -3415 8.22694539 -0.00041407 -0.00035040 -3416 8.22932587 -0.00041324 -0.00034960 -3417 8.23170634 -0.00041241 -0.00034880 -3418 8.23408682 -0.00041158 -0.00034800 -3419 8.23646729 -0.00041075 -0.00034720 -3420 8.23884777 -0.00040992 -0.00034641 -3421 8.24122825 -0.00040910 -0.00034562 -3422 8.24360872 -0.00040828 -0.00034483 -3423 8.24598920 -0.00040746 -0.00034404 -3424 8.24836967 -0.00040664 -0.00034325 -3425 8.25075015 -0.00040583 -0.00034247 -3426 8.25313063 -0.00040501 -0.00034168 -3427 8.25551110 -0.00040420 -0.00034090 -3428 8.25789158 -0.00040339 -0.00034013 -3429 8.26027205 -0.00040258 -0.00033935 -3430 8.26265253 -0.00040177 -0.00033857 -3431 8.26503301 -0.00040097 -0.00033780 -3432 8.26741348 -0.00040016 -0.00033703 -3433 8.26979396 -0.00039936 -0.00033626 -3434 8.27217443 -0.00039856 -0.00033550 -3435 8.27455491 -0.00039777 -0.00033473 -3436 8.27693539 -0.00039697 -0.00033397 -3437 8.27931586 -0.00039618 -0.00033321 -3438 8.28169634 -0.00039538 -0.00033245 -3439 8.28407682 -0.00039459 -0.00033169 -3440 8.28645729 -0.00039380 -0.00033094 -3441 8.28883777 -0.00039302 -0.00033019 -3442 8.29121824 -0.00039223 -0.00032943 -3443 8.29359872 -0.00039145 -0.00032869 -3444 8.29597920 -0.00039067 -0.00032794 -3445 8.29835967 -0.00038989 -0.00032719 -3446 8.30074015 -0.00038911 -0.00032645 -3447 8.30312062 -0.00038833 -0.00032571 -3448 8.30550110 -0.00038756 -0.00032497 -3449 8.30788158 -0.00038679 -0.00032423 -3450 8.31026205 -0.00038601 -0.00032349 -3451 8.31264253 -0.00038525 -0.00032276 -3452 8.31502300 -0.00038448 -0.00032203 -3453 8.31740348 -0.00038371 -0.00032130 -3454 8.31978396 -0.00038295 -0.00032057 -3455 8.32216443 -0.00038219 -0.00031984 -3456 8.32454491 -0.00038143 -0.00031912 -3457 8.32692539 -0.00038067 -0.00031840 -3458 8.32930586 -0.00037991 -0.00031767 -3459 8.33168634 -0.00037915 -0.00031696 -3460 8.33406681 -0.00037840 -0.00031624 -3461 8.33644729 -0.00037765 -0.00031552 -3462 8.33882777 -0.00037690 -0.00031481 -3463 8.34120824 -0.00037615 -0.00031410 -3464 8.34358872 -0.00037540 -0.00031339 -3465 8.34596919 -0.00037466 -0.00031268 -3466 8.34834967 -0.00037391 -0.00031197 -3467 8.35073015 -0.00037317 -0.00031127 -3468 8.35311062 -0.00037243 -0.00031056 -3469 8.35549110 -0.00037169 -0.00030986 -3470 8.35787157 -0.00037096 -0.00030916 -3471 8.36025205 -0.00037022 -0.00030847 -3472 8.36263253 -0.00036949 -0.00030777 -3473 8.36501300 -0.00036876 -0.00030707 -3474 8.36739348 -0.00036803 -0.00030638 -3475 8.36977395 -0.00036730 -0.00030569 -3476 8.37215443 -0.00036657 -0.00030500 -3477 8.37453491 -0.00036585 -0.00030432 -3478 8.37691538 -0.00036512 -0.00030363 -3479 8.37929586 -0.00036440 -0.00030295 -3480 8.38167634 -0.00036368 -0.00030226 -3481 8.38405681 -0.00036296 -0.00030158 -3482 8.38643729 -0.00036224 -0.00030091 -3483 8.38881776 -0.00036153 -0.00030023 -3484 8.39119824 -0.00036082 -0.00029955 -3485 8.39357872 -0.00036010 -0.00029888 -3486 8.39595919 -0.00035939 -0.00029821 -3487 8.39833967 -0.00035868 -0.00029754 -3488 8.40072014 -0.00035798 -0.00029687 -3489 8.40310062 -0.00035727 -0.00029620 -3490 8.40548110 -0.00035657 -0.00029554 -3491 8.40786157 -0.00035586 -0.00029487 -3492 8.41024205 -0.00035516 -0.00029421 -3493 8.41262252 -0.00035446 -0.00029355 -3494 8.41500300 -0.00035376 -0.00029289 -3495 8.41738348 -0.00035307 -0.00029224 -3496 8.41976395 -0.00035237 -0.00029158 -3497 8.42214443 -0.00035168 -0.00029093 -3498 8.42452490 -0.00035099 -0.00029028 -3499 8.42690538 -0.00035030 -0.00028963 -3500 8.42928586 -0.00034961 -0.00028898 -3501 8.43166633 -0.00034892 -0.00028833 -3502 8.43404681 -0.00034824 -0.00028769 -3503 8.43642729 -0.00034755 -0.00028704 -3504 8.43880776 -0.00034687 -0.00028640 -3505 8.44118824 -0.00034619 -0.00028576 -3506 8.44356871 -0.00034551 -0.00028512 -3507 8.44594919 -0.00034483 -0.00028448 -3508 8.44832967 -0.00034415 -0.00028385 -3509 8.45071014 -0.00034348 -0.00028322 -3510 8.45309062 -0.00034281 -0.00028258 -3511 8.45547109 -0.00034213 -0.00028195 -3512 8.45785157 -0.00034146 -0.00028132 -3513 8.46023205 -0.00034079 -0.00028069 -3514 8.46261252 -0.00034013 -0.00028007 -3515 8.46499300 -0.00033946 -0.00027944 -3516 8.46737347 -0.00033880 -0.00027882 -3517 8.46975395 -0.00033813 -0.00027820 -3518 8.47213443 -0.00033747 -0.00027758 -3519 8.47451490 -0.00033681 -0.00027696 -3520 8.47689538 -0.00033615 -0.00027634 -3521 8.47927586 -0.00033550 -0.00027573 -3522 8.48165633 -0.00033484 -0.00027512 -3523 8.48403681 -0.00033419 -0.00027450 -3524 8.48641728 -0.00033353 -0.00027389 -3525 8.48879776 -0.00033288 -0.00027328 -3526 8.49117824 -0.00033223 -0.00027268 -3527 8.49355871 -0.00033158 -0.00027207 -3528 8.49593919 -0.00033094 -0.00027146 -3529 8.49831966 -0.00033029 -0.00027086 -3530 8.50070014 -0.00032965 -0.00027026 -3531 8.50308062 -0.00032901 -0.00026966 -3532 8.50546109 -0.00032836 -0.00026906 -3533 8.50784157 -0.00032772 -0.00026846 -3534 8.51022204 -0.00032709 -0.00026787 -3535 8.51260252 -0.00032645 -0.00026727 -3536 8.51498300 -0.00032581 -0.00026668 -3537 8.51736347 -0.00032518 -0.00026609 -3538 8.51974395 -0.00032455 -0.00026550 -3539 8.52212442 -0.00032392 -0.00026491 -3540 8.52450490 -0.00032329 -0.00026433 -3541 8.52688538 -0.00032266 -0.00026374 -3542 8.52926585 -0.00032203 -0.00026316 -3543 8.53164633 -0.00032140 -0.00026257 -3544 8.53402681 -0.00032078 -0.00026199 -3545 8.53640728 -0.00032016 -0.00026141 -3546 8.53878776 -0.00031954 -0.00026083 -3547 8.54116823 -0.00031891 -0.00026026 -3548 8.54354871 -0.00031830 -0.00025968 -3549 8.54592919 -0.00031768 -0.00025911 -3550 8.54830966 -0.00031706 -0.00025854 -3551 8.55069014 -0.00031645 -0.00025796 -3552 8.55307061 -0.00031583 -0.00025740 -3553 8.55545109 -0.00031522 -0.00025683 -3554 8.55783157 -0.00031461 -0.00025626 -3555 8.56021204 -0.00031400 -0.00025569 -3556 8.56259252 -0.00031339 -0.00025513 -3557 8.56497299 -0.00031279 -0.00025457 -3558 8.56735347 -0.00031218 -0.00025401 -3559 8.56973395 -0.00031158 -0.00025345 -3560 8.57211442 -0.00031098 -0.00025289 -3561 8.57449490 -0.00031037 -0.00025233 -3562 8.57687538 -0.00030977 -0.00025178 -3563 8.57925585 -0.00030918 -0.00025122 -3564 8.58163633 -0.00030858 -0.00025067 -3565 8.58401680 -0.00030798 -0.00025012 -3566 8.58639728 -0.00030739 -0.00024957 -3567 8.58877776 -0.00030679 -0.00024902 -3568 8.59115823 -0.00030620 -0.00024847 -3569 8.59353871 -0.00030561 -0.00024792 -3570 8.59591918 -0.00030502 -0.00024738 -3571 8.59829966 -0.00030443 -0.00024684 -3572 8.60068014 -0.00030385 -0.00024629 -3573 8.60306061 -0.00030326 -0.00024575 -3574 8.60544109 -0.00030268 -0.00024521 -3575 8.60782156 -0.00030209 -0.00024467 -3576 8.61020204 -0.00030151 -0.00024414 -3577 8.61258252 -0.00030093 -0.00024360 -3578 8.61496299 -0.00030035 -0.00024307 -3579 8.61734347 -0.00029977 -0.00024254 -3580 8.61972394 -0.00029920 -0.00024200 -3581 8.62210442 -0.00029862 -0.00024147 -3582 8.62448490 -0.00029805 -0.00024094 -3583 8.62686537 -0.00029747 -0.00024042 -3584 8.62924585 -0.00029690 -0.00023989 -3585 8.63162633 -0.00029633 -0.00023936 -3586 8.63400680 -0.00029576 -0.00023884 -3587 8.63638728 -0.00029520 -0.00023832 -3588 8.63876775 -0.00029463 -0.00023780 -3589 8.64114823 -0.00029406 -0.00023728 -3590 8.64352871 -0.00029350 -0.00023676 -3591 8.64590918 -0.00029294 -0.00023624 -3592 8.64828966 -0.00029237 -0.00023572 -3593 8.65067013 -0.00029181 -0.00023521 -3594 8.65305061 -0.00029125 -0.00023470 -3595 8.65543109 -0.00029070 -0.00023418 -3596 8.65781156 -0.00029014 -0.00023367 -3597 8.66019204 -0.00028958 -0.00023316 -3598 8.66257251 -0.00028903 -0.00023265 -3599 8.66495299 -0.00028848 -0.00023215 -3600 8.66733347 -0.00028792 -0.00023164 -3601 8.66971394 -0.00028737 -0.00023114 -3602 8.67209442 -0.00028682 -0.00023063 -3603 8.67447489 -0.00028628 -0.00023013 -3604 8.67685537 -0.00028573 -0.00022963 -3605 8.67923585 -0.00028518 -0.00022913 -3606 8.68161632 -0.00028464 -0.00022863 -3607 8.68399680 -0.00028409 -0.00022813 -3608 8.68637728 -0.00028355 -0.00022764 -3609 8.68875775 -0.00028301 -0.00022714 -3610 8.69113823 -0.00028247 -0.00022665 -3611 8.69351870 -0.00028193 -0.00022615 -3612 8.69589918 -0.00028139 -0.00022566 -3613 8.69827966 -0.00028086 -0.00022517 -3614 8.70066013 -0.00028032 -0.00022468 -3615 8.70304061 -0.00027979 -0.00022419 -3616 8.70542108 -0.00027925 -0.00022371 -3617 8.70780156 -0.00027872 -0.00022322 -3618 8.71018204 -0.00027819 -0.00022274 -3619 8.71256251 -0.00027766 -0.00022225 -3620 8.71494299 -0.00027713 -0.00022177 -3621 8.71732346 -0.00027661 -0.00022129 -3622 8.71970394 -0.00027608 -0.00022081 -3623 8.72208442 -0.00027555 -0.00022033 -3624 8.72446489 -0.00027503 -0.00021986 -3625 8.72684537 -0.00027451 -0.00021938 -3626 8.72922585 -0.00027399 -0.00021890 -3627 8.73160632 -0.00027346 -0.00021843 -3628 8.73398680 -0.00027295 -0.00021796 -3629 8.73636727 -0.00027243 -0.00021749 -3630 8.73874775 -0.00027191 -0.00021702 -3631 8.74112823 -0.00027139 -0.00021655 -3632 8.74350870 -0.00027088 -0.00021608 -3633 8.74588918 -0.00027037 -0.00021561 -3634 8.74826965 -0.00026985 -0.00021515 -3635 8.75065013 -0.00026934 -0.00021468 -3636 8.75303061 -0.00026883 -0.00021422 -3637 8.75541108 -0.00026832 -0.00021375 -3638 8.75779156 -0.00026781 -0.00021329 -3639 8.76017203 -0.00026731 -0.00021283 -3640 8.76255251 -0.00026680 -0.00021237 -3641 8.76493299 -0.00026629 -0.00021192 -3642 8.76731346 -0.00026579 -0.00021146 -3643 8.76969394 -0.00026529 -0.00021100 -3644 8.77207441 -0.00026479 -0.00021055 -3645 8.77445489 -0.00026429 -0.00021009 -3646 8.77683537 -0.00026379 -0.00020964 -3647 8.77921584 -0.00026329 -0.00020919 -3648 8.78159632 -0.00026279 -0.00020874 -3649 8.78397680 -0.00026229 -0.00020829 -3650 8.78635727 -0.00026180 -0.00020784 -3651 8.78873775 -0.00026130 -0.00020739 -3652 8.79111822 -0.00026081 -0.00020695 -3653 8.79349870 -0.00026032 -0.00020650 -3654 8.79587918 -0.00025983 -0.00020606 -3655 8.79825965 -0.00025934 -0.00020562 -3656 8.80064013 -0.00025885 -0.00020518 -3657 8.80302060 -0.00025836 -0.00020473 -3658 8.80540108 -0.00025787 -0.00020429 -3659 8.80778156 -0.00025739 -0.00020386 -3660 8.81016203 -0.00025690 -0.00020342 -3661 8.81254251 -0.00025642 -0.00020298 -3662 8.81492298 -0.00025594 -0.00020255 -3663 8.81730346 -0.00025546 -0.00020211 -3664 8.81968394 -0.00025497 -0.00020168 -3665 8.82206441 -0.00025450 -0.00020125 -3666 8.82444489 -0.00025402 -0.00020082 -3667 8.82682537 -0.00025354 -0.00020039 -3668 8.82920584 -0.00025306 -0.00019996 -3669 8.83158632 -0.00025259 -0.00019953 -3670 8.83396679 -0.00025211 -0.00019910 -3671 8.83634727 -0.00025164 -0.00019867 -3672 8.83872775 -0.00025117 -0.00019825 -3673 8.84110822 -0.00025070 -0.00019783 -3674 8.84348870 -0.00025022 -0.00019740 -3675 8.84586917 -0.00024976 -0.00019698 -3676 8.84824965 -0.00024929 -0.00019656 -3677 8.85063013 -0.00024882 -0.00019614 -3678 8.85301060 -0.00024835 -0.00019572 -3679 8.85539108 -0.00024789 -0.00019530 -3680 8.85777155 -0.00024742 -0.00019488 -3681 8.86015203 -0.00024696 -0.00019447 -3682 8.86253251 -0.00024650 -0.00019405 -3683 8.86491298 -0.00024604 -0.00019364 -3684 8.86729346 -0.00024558 -0.00019323 -3685 8.86967393 -0.00024512 -0.00019281 -3686 8.87205441 -0.00024466 -0.00019240 -3687 8.87443489 -0.00024420 -0.00019199 -3688 8.87681536 -0.00024374 -0.00019158 -3689 8.87919584 -0.00024329 -0.00019118 -3690 8.88157632 -0.00024283 -0.00019077 -3691 8.88395679 -0.00024238 -0.00019036 -3692 8.88633727 -0.00024193 -0.00018996 -3693 8.88871774 -0.00024148 -0.00018955 -3694 8.89109822 -0.00024102 -0.00018915 -3695 8.89347870 -0.00024057 -0.00018875 -3696 8.89585917 -0.00024013 -0.00018835 -3697 8.89823965 -0.00023968 -0.00018795 -3698 8.90062012 -0.00023923 -0.00018755 -3699 8.90300060 -0.00023879 -0.00018715 -3700 8.90538108 -0.00023834 -0.00018675 -3701 8.90776155 -0.00023790 -0.00018635 -3702 8.91014203 -0.00023745 -0.00018596 -3703 8.91252250 -0.00023701 -0.00018556 -3704 8.91490298 -0.00023657 -0.00018517 -3705 8.91728346 -0.00023613 -0.00018478 -3706 8.91966393 -0.00023569 -0.00018438 -3707 8.92204441 -0.00023525 -0.00018399 -3708 8.92442488 -0.00023481 -0.00018360 -3709 8.92680536 -0.00023438 -0.00018321 -3710 8.92918584 -0.00023394 -0.00018283 -3711 8.93156631 -0.00023351 -0.00018244 -3712 8.93394679 -0.00023307 -0.00018205 -3713 8.93632727 -0.00023264 -0.00018167 -3714 8.93870774 -0.00023221 -0.00018128 -3715 8.94108822 -0.00023178 -0.00018090 -3716 8.94346869 -0.00023135 -0.00018052 -3717 8.94584917 -0.00023092 -0.00018013 -3718 8.94822965 -0.00023049 -0.00017975 -3719 8.95061012 -0.00023006 -0.00017937 -3720 8.95299060 -0.00022964 -0.00017899 -3721 8.95537107 -0.00022921 -0.00017862 -3722 8.95775155 -0.00022878 -0.00017824 -3723 8.96013203 -0.00022836 -0.00017786 -3724 8.96251250 -0.00022794 -0.00017749 -3725 8.96489298 -0.00022752 -0.00017711 -3726 8.96727345 -0.00022709 -0.00017674 -3727 8.96965393 -0.00022667 -0.00017637 -3728 8.97203441 -0.00022626 -0.00017599 -3729 8.97441488 -0.00022584 -0.00017562 -3730 8.97679536 -0.00022542 -0.00017525 -3731 8.97917584 -0.00022500 -0.00017488 -3732 8.98155631 -0.00022459 -0.00017452 -3733 8.98393679 -0.00022417 -0.00017415 -3734 8.98631726 -0.00022376 -0.00017378 -3735 8.98869774 -0.00022334 -0.00017341 -3736 8.99107822 -0.00022293 -0.00017305 -3737 8.99345869 -0.00022252 -0.00017269 -3738 8.99583917 -0.00022211 -0.00017232 -3739 8.99821964 -0.00022170 -0.00017196 -3740 9.00060012 -0.00022129 -0.00017160 -3741 9.00298060 -0.00022088 -0.00017124 -3742 9.00536107 -0.00022048 -0.00017088 -3743 9.00774155 -0.00022007 -0.00017052 -3744 9.01012202 -0.00021966 -0.00017016 -3745 9.01250250 -0.00021926 -0.00016980 -3746 9.01488298 -0.00021886 -0.00016945 -3747 9.01726345 -0.00021845 -0.00016909 -3748 9.01964393 -0.00021805 -0.00016874 -3749 9.02202440 -0.00021765 -0.00016838 -3750 9.02440488 -0.00021725 -0.00016803 -3751 9.02678536 -0.00021685 -0.00016768 -3752 9.02916583 -0.00021645 -0.00016733 -3753 9.03154631 -0.00021605 -0.00016697 -3754 9.03392679 -0.00021566 -0.00016662 -3755 9.03630726 -0.00021526 -0.00016628 -3756 9.03868774 -0.00021486 -0.00016593 -3757 9.04106821 -0.00021447 -0.00016558 -3758 9.04344869 -0.00021408 -0.00016523 -3759 9.04582917 -0.00021368 -0.00016489 -3760 9.04820964 -0.00021329 -0.00016454 -3761 9.05059012 -0.00021290 -0.00016420 -3762 9.05297059 -0.00021251 -0.00016386 -3763 9.05535107 -0.00021212 -0.00016351 -3764 9.05773155 -0.00021173 -0.00016317 -3765 9.06011202 -0.00021134 -0.00016283 -3766 9.06249250 -0.00021096 -0.00016249 -3767 9.06487297 -0.00021057 -0.00016215 -3768 9.06725345 -0.00021018 -0.00016181 -3769 9.06963393 -0.00020980 -0.00016147 -3770 9.07201440 -0.00020941 -0.00016114 -3771 9.07439488 -0.00020903 -0.00016080 -3772 9.07677536 -0.00020865 -0.00016047 -3773 9.07915583 -0.00020827 -0.00016013 -3774 9.08153631 -0.00020789 -0.00015980 -3775 9.08391678 -0.00020751 -0.00015947 -3776 9.08629726 -0.00020713 -0.00015913 -3777 9.08867774 -0.00020675 -0.00015880 -3778 9.09105821 -0.00020637 -0.00015847 -3779 9.09343869 -0.00020599 -0.00015814 -3780 9.09581916 -0.00020562 -0.00015781 -3781 9.09819964 -0.00020524 -0.00015748 -3782 9.10058012 -0.00020487 -0.00015716 -3783 9.10296059 -0.00020449 -0.00015683 -3784 9.10534107 -0.00020412 -0.00015650 -3785 9.10772154 -0.00020375 -0.00015618 -3786 9.11010202 -0.00020338 -0.00015585 -3787 9.11248250 -0.00020301 -0.00015553 -3788 9.11486297 -0.00020264 -0.00015521 -3789 9.11724345 -0.00020227 -0.00015488 -3790 9.11962392 -0.00020190 -0.00015456 -3791 9.12200440 -0.00020153 -0.00015424 -3792 9.12438488 -0.00020117 -0.00015392 -3793 9.12676535 -0.00020080 -0.00015360 -3794 9.12914583 -0.00020043 -0.00015328 -3795 9.13152631 -0.00020007 -0.00015297 -3796 9.13390678 -0.00019971 -0.00015265 -3797 9.13628726 -0.00019934 -0.00015233 -3798 9.13866773 -0.00019898 -0.00015202 -3799 9.14104821 -0.00019862 -0.00015170 -3800 9.14342869 -0.00019826 -0.00015139 -3801 9.14580916 -0.00019790 -0.00015107 -3802 9.14818964 -0.00019754 -0.00015076 -3803 9.15057011 -0.00019718 -0.00015045 -3804 9.15295059 -0.00019682 -0.00015014 -3805 9.15533107 -0.00019647 -0.00014983 -3806 9.15771154 -0.00019611 -0.00014952 -3807 9.16009202 -0.00019575 -0.00014921 -3808 9.16247249 -0.00019540 -0.00014890 -3809 9.16485297 -0.00019505 -0.00014859 -3810 9.16723345 -0.00019469 -0.00014829 -3811 9.16961392 -0.00019434 -0.00014798 -3812 9.17199440 -0.00019399 -0.00014767 -3813 9.17437487 -0.00019364 -0.00014737 -3814 9.17675535 -0.00019329 -0.00014706 -3815 9.17913583 -0.00019294 -0.00014676 -3816 9.18151630 -0.00019259 -0.00014646 -3817 9.18389678 -0.00019224 -0.00014616 -3818 9.18627726 -0.00019189 -0.00014586 -3819 9.18865773 -0.00019154 -0.00014555 -3820 9.19103821 -0.00019120 -0.00014526 -3821 9.19341868 -0.00019085 -0.00014496 -3822 9.19579916 -0.00019051 -0.00014466 -3823 9.19817964 -0.00019016 -0.00014436 -3824 9.20056011 -0.00018982 -0.00014406 -3825 9.20294059 -0.00018948 -0.00014377 -3826 9.20532106 -0.00018914 -0.00014347 -3827 9.20770154 -0.00018880 -0.00014317 -3828 9.21008202 -0.00018846 -0.00014288 -3829 9.21246249 -0.00018812 -0.00014259 -3830 9.21484297 -0.00018778 -0.00014229 -3831 9.21722344 -0.00018744 -0.00014200 -3832 9.21960392 -0.00018710 -0.00014171 -3833 9.22198440 -0.00018676 -0.00014142 -3834 9.22436487 -0.00018643 -0.00014113 -3835 9.22674535 -0.00018609 -0.00014084 -3836 9.22912583 -0.00018576 -0.00014055 -3837 9.23150630 -0.00018542 -0.00014026 -3838 9.23388678 -0.00018509 -0.00013997 -3839 9.23626725 -0.00018476 -0.00013969 -3840 9.23864773 -0.00018442 -0.00013940 -3841 9.24102821 -0.00018409 -0.00013911 -3842 9.24340868 -0.00018376 -0.00013883 -3843 9.24578916 -0.00018343 -0.00013854 -3844 9.24816963 -0.00018310 -0.00013826 -3845 9.25055011 -0.00018277 -0.00013798 -3846 9.25293059 -0.00018244 -0.00013770 -3847 9.25531106 -0.00018212 -0.00013741 -3848 9.25769154 -0.00018179 -0.00013713 -3849 9.26007201 -0.00018146 -0.00013685 -3850 9.26245249 -0.00018114 -0.00013657 -3851 9.26483297 -0.00018081 -0.00013629 -3852 9.26721344 -0.00018049 -0.00013601 -3853 9.26959392 -0.00018017 -0.00013574 -3854 9.27197439 -0.00017984 -0.00013546 -3855 9.27435487 -0.00017952 -0.00013518 -3856 9.27673535 -0.00017920 -0.00013491 -3857 9.27911582 -0.00017888 -0.00013463 -3858 9.28149630 -0.00017856 -0.00013436 -3859 9.28387678 -0.00017824 -0.00013408 -3860 9.28625725 -0.00017792 -0.00013381 -3861 9.28863773 -0.00017760 -0.00013354 -3862 9.29101820 -0.00017729 -0.00013326 -3863 9.29339868 -0.00017697 -0.00013299 -3864 9.29577916 -0.00017665 -0.00013272 -3865 9.29815963 -0.00017634 -0.00013245 -3866 9.30054011 -0.00017602 -0.00013218 -3867 9.30292058 -0.00017571 -0.00013191 -3868 9.30530106 -0.00017539 -0.00013164 -3869 9.30768154 -0.00017508 -0.00013137 -3870 9.31006201 -0.00017477 -0.00013111 -3871 9.31244249 -0.00017446 -0.00013084 -3872 9.31482296 -0.00017414 -0.00013057 -3873 9.31720344 -0.00017383 -0.00013031 -3874 9.31958392 -0.00017352 -0.00013004 -3875 9.32196439 -0.00017322 -0.00012978 -3876 9.32434487 -0.00017291 -0.00012952 -3877 9.32672535 -0.00017260 -0.00012925 -3878 9.32910582 -0.00017229 -0.00012899 -3879 9.33148630 -0.00017198 -0.00012873 -3880 9.33386677 -0.00017168 -0.00012847 -3881 9.33624725 -0.00017137 -0.00012821 -3882 9.33862773 -0.00017107 -0.00012795 -3883 9.34100820 -0.00017076 -0.00012769 -3884 9.34338868 -0.00017046 -0.00012743 -3885 9.34576915 -0.00017016 -0.00012717 -3886 9.34814963 -0.00016985 -0.00012691 -3887 9.35053011 -0.00016955 -0.00012665 -3888 9.35291058 -0.00016925 -0.00012640 -3889 9.35529106 -0.00016895 -0.00012614 -3890 9.35767153 -0.00016865 -0.00012589 -3891 9.36005201 -0.00016835 -0.00012563 -3892 9.36243249 -0.00016805 -0.00012538 -3893 9.36481296 -0.00016775 -0.00012512 -3894 9.36719344 -0.00016746 -0.00012487 -3895 9.36957391 -0.00016716 -0.00012462 -3896 9.37195439 -0.00016686 -0.00012437 -3897 9.37433487 -0.00016657 -0.00012411 -3898 9.37671534 -0.00016627 -0.00012386 -3899 9.37909582 -0.00016598 -0.00012361 -3900 9.38147630 -0.00016568 -0.00012336 -3901 9.38385677 -0.00016539 -0.00012312 -3902 9.38623725 -0.00016510 -0.00012287 -3903 9.38861772 -0.00016481 -0.00012262 -3904 9.39099820 -0.00016451 -0.00012237 -3905 9.39337868 -0.00016422 -0.00012212 -3906 9.39575915 -0.00016393 -0.00012188 -3907 9.39813963 -0.00016364 -0.00012163 -3908 9.40052010 -0.00016335 -0.00012139 -3909 9.40290058 -0.00016307 -0.00012114 -3910 9.40528106 -0.00016278 -0.00012090 -3911 9.40766153 -0.00016249 -0.00012065 -3912 9.41004201 -0.00016220 -0.00012041 -3913 9.41242248 -0.00016192 -0.00012017 -3914 9.41480296 -0.00016163 -0.00011993 -3915 9.41718344 -0.00016135 -0.00011969 -3916 9.41956391 -0.00016106 -0.00011945 -3917 9.42194439 -0.00016078 -0.00011920 -3918 9.42432486 -0.00016049 -0.00011897 -3919 9.42670534 -0.00016021 -0.00011873 -3920 9.42908582 -0.00015993 -0.00011849 -3921 9.43146629 -0.00015965 -0.00011825 -3922 9.43384677 -0.00015937 -0.00011801 -3923 9.43622725 -0.00015908 -0.00011777 -3924 9.43860772 -0.00015880 -0.00011754 -3925 9.44098820 -0.00015852 -0.00011730 -3926 9.44336867 -0.00015825 -0.00011707 -3927 9.44574915 -0.00015797 -0.00011683 -3928 9.44812963 -0.00015769 -0.00011660 -3929 9.45051010 -0.00015741 -0.00011636 -3930 9.45289058 -0.00015714 -0.00011613 -3931 9.45527105 -0.00015686 -0.00011590 -3932 9.45765153 -0.00015658 -0.00011567 -3933 9.46003201 -0.00015631 -0.00011543 -3934 9.46241248 -0.00015603 -0.00011520 -3935 9.46479296 -0.00015576 -0.00011497 -3936 9.46717343 -0.00015549 -0.00011474 -3937 9.46955391 -0.00015521 -0.00011451 -3938 9.47193439 -0.00015494 -0.00011428 -3939 9.47431486 -0.00015467 -0.00011405 -3940 9.47669534 -0.00015440 -0.00011383 -3941 9.47907582 -0.00015413 -0.00011360 -3942 9.48145629 -0.00015386 -0.00011337 -3943 9.48383677 -0.00015359 -0.00011314 -3944 9.48621724 -0.00015332 -0.00011292 -3945 9.48859772 -0.00015305 -0.00011269 -3946 9.49097820 -0.00015278 -0.00011247 -3947 9.49335867 -0.00015252 -0.00011224 -3948 9.49573915 -0.00015225 -0.00011202 -3949 9.49811962 -0.00015198 -0.00011180 -3950 9.50050010 -0.00015172 -0.00011157 -3951 9.50288058 -0.00015145 -0.00011135 -3952 9.50526105 -0.00015119 -0.00011113 -3953 9.50764153 -0.00015092 -0.00011091 -3954 9.51002200 -0.00015066 -0.00011069 -3955 9.51240248 -0.00015039 -0.00011046 -3956 9.51478296 -0.00015013 -0.00011024 -3957 9.51716343 -0.00014987 -0.00011003 -3958 9.51954391 -0.00014961 -0.00010981 -3959 9.52192438 -0.00014935 -0.00010959 -3960 9.52430486 -0.00014909 -0.00010937 -3961 9.52668534 -0.00014883 -0.00010915 -3962 9.52906581 -0.00014857 -0.00010893 -3963 9.53144629 -0.00014831 -0.00010872 -3964 9.53382677 -0.00014805 -0.00010850 -3965 9.53620724 -0.00014779 -0.00010829 -3966 9.53858772 -0.00014753 -0.00010807 -3967 9.54096819 -0.00014728 -0.00010786 -3968 9.54334867 -0.00014702 -0.00010764 -3969 9.54572915 -0.00014676 -0.00010743 -3970 9.54810962 -0.00014651 -0.00010721 -3971 9.55049010 -0.00014625 -0.00010700 -3972 9.55287057 -0.00014600 -0.00010679 -3973 9.55525105 -0.00014575 -0.00010658 -3974 9.55763153 -0.00014549 -0.00010637 -3975 9.56001200 -0.00014524 -0.00010616 -3976 9.56239248 -0.00014499 -0.00010594 -3977 9.56477295 -0.00014473 -0.00010573 -3978 9.56715343 -0.00014448 -0.00010553 -3979 9.56953391 -0.00014423 -0.00010532 -3980 9.57191438 -0.00014398 -0.00010511 -3981 9.57429486 -0.00014373 -0.00010490 -3982 9.57667534 -0.00014348 -0.00010469 -3983 9.57905581 -0.00014323 -0.00010448 -3984 9.58143629 -0.00014298 -0.00010428 -3985 9.58381676 -0.00014274 -0.00010407 -3986 9.58619724 -0.00014249 -0.00010387 -3987 9.58857772 -0.00014224 -0.00010366 -3988 9.59095819 -0.00014200 -0.00010346 -3989 9.59333867 -0.00014175 -0.00010325 -3990 9.59571914 -0.00014150 -0.00010305 -3991 9.59809962 -0.00014126 -0.00010284 -3992 9.60048010 -0.00014101 -0.00010264 -3993 9.60286057 -0.00014077 -0.00010244 -3994 9.60524105 -0.00014053 -0.00010224 -3995 9.60762152 -0.00014028 -0.00010203 -3996 9.61000200 -0.00014004 -0.00010183 -3997 9.61238248 -0.00013980 -0.00010163 -3998 9.61476295 -0.00013956 -0.00010143 -3999 9.61714343 -0.00013932 -0.00010123 -4000 9.61952390 -0.00013908 -0.00010103 -4001 9.62190438 -0.00013884 -0.00010083 -4002 9.62428486 -0.00013860 -0.00010063 -4003 9.62666533 -0.00013836 -0.00010044 -4004 9.62904581 -0.00013812 -0.00010024 -4005 9.63142629 -0.00013788 -0.00010004 -4006 9.63380676 -0.00013764 -0.00009984 -4007 9.63618724 -0.00013740 -0.00009965 -4008 9.63856771 -0.00013717 -0.00009945 -4009 9.64094819 -0.00013693 -0.00009926 -4010 9.64332867 -0.00013669 -0.00009906 -4011 9.64570914 -0.00013646 -0.00009887 -4012 9.64808962 -0.00013622 -0.00009867 -4013 9.65047009 -0.00013599 -0.00009848 -4014 9.65285057 -0.00013575 -0.00009828 -4015 9.65523105 -0.00013552 -0.00009809 -4016 9.65761152 -0.00013529 -0.00009790 -4017 9.65999200 -0.00013505 -0.00009771 -4018 9.66237247 -0.00013482 -0.00009751 -4019 9.66475295 -0.00013459 -0.00009732 -4020 9.66713343 -0.00013436 -0.00009713 -4021 9.66951390 -0.00013413 -0.00009694 -4022 9.67189438 -0.00013390 -0.00009675 -4023 9.67427485 -0.00013367 -0.00009656 -4024 9.67665533 -0.00013344 -0.00009637 -4025 9.67903581 -0.00013321 -0.00009618 -4026 9.68141628 -0.00013298 -0.00009599 -4027 9.68379676 -0.00013275 -0.00009581 -4028 9.68617724 -0.00013252 -0.00009562 -4029 9.68855771 -0.00013230 -0.00009543 -4030 9.69093819 -0.00013207 -0.00009525 -4031 9.69331866 -0.00013184 -0.00009506 -4032 9.69569914 -0.00013162 -0.00009487 -4033 9.69807962 -0.00013139 -0.00009469 -4034 9.70046009 -0.00013117 -0.00009450 -4035 9.70284057 -0.00013094 -0.00009432 -4036 9.70522104 -0.00013072 -0.00009413 -4037 9.70760152 -0.00013049 -0.00009395 -4038 9.70998200 -0.00013027 -0.00009377 -4039 9.71236247 -0.00013005 -0.00009358 -4040 9.71474295 -0.00012982 -0.00009340 -4041 9.71712342 -0.00012960 -0.00009322 -4042 9.71950390 -0.00012938 -0.00009304 -4043 9.72188438 -0.00012916 -0.00009285 -4044 9.72426485 -0.00012894 -0.00009267 -4045 9.72664533 -0.00012872 -0.00009249 -4046 9.72902581 -0.00012850 -0.00009231 -4047 9.73140628 -0.00012828 -0.00009213 -4048 9.73378676 -0.00012806 -0.00009195 -4049 9.73616723 -0.00012784 -0.00009177 -4050 9.73854771 -0.00012762 -0.00009159 -4051 9.74092819 -0.00012740 -0.00009142 -4052 9.74330866 -0.00012719 -0.00009124 -4053 9.74568914 -0.00012697 -0.00009106 -4054 9.74806961 -0.00012675 -0.00009088 -4055 9.75045009 -0.00012654 -0.00009071 -4056 9.75283057 -0.00012632 -0.00009053 -4057 9.75521104 -0.00012611 -0.00009035 -4058 9.75759152 -0.00012589 -0.00009018 -4059 9.75997199 -0.00012568 -0.00009000 -4060 9.76235247 -0.00012546 -0.00008983 -4061 9.76473295 -0.00012525 -0.00008965 -4062 9.76711342 -0.00012504 -0.00008948 -4063 9.76949390 -0.00012482 -0.00008931 -4064 9.77187437 -0.00012461 -0.00008913 -4065 9.77425485 -0.00012440 -0.00008896 -4066 9.77663533 -0.00012419 -0.00008879 -4067 9.77901580 -0.00012398 -0.00008862 -4068 9.78139628 -0.00012377 -0.00008844 -4069 9.78377676 -0.00012356 -0.00008827 -4070 9.78615723 -0.00012335 -0.00008810 -4071 9.78853771 -0.00012314 -0.00008793 -4072 9.79091818 -0.00012293 -0.00008776 -4073 9.79329866 -0.00012272 -0.00008759 -4074 9.79567914 -0.00012251 -0.00008742 -4075 9.79805961 -0.00012230 -0.00008725 -4076 9.80044009 -0.00012209 -0.00008708 -4077 9.80282056 -0.00012189 -0.00008691 -4078 9.80520104 -0.00012168 -0.00008675 -4079 9.80758152 -0.00012147 -0.00008658 -4080 9.80996199 -0.00012127 -0.00008641 -4081 9.81234247 -0.00012106 -0.00008624 -4082 9.81472294 -0.00012086 -0.00008608 -4083 9.81710342 -0.00012065 -0.00008591 -4084 9.81948390 -0.00012045 -0.00008574 -4085 9.82186437 -0.00012024 -0.00008558 -4086 9.82424485 -0.00012004 -0.00008541 -4087 9.82662533 -0.00011984 -0.00008525 -4088 9.82900580 -0.00011964 -0.00008508 -4089 9.83138628 -0.00011943 -0.00008492 -4090 9.83376675 -0.00011923 -0.00008476 -4091 9.83614723 -0.00011903 -0.00008459 -4092 9.83852771 -0.00011883 -0.00008443 -4093 9.84090818 -0.00011863 -0.00008427 -4094 9.84328866 -0.00011843 -0.00008410 -4095 9.84566913 -0.00011823 -0.00008394 -4096 9.84804961 -0.00011803 -0.00008378 -4097 9.85043009 -0.00011783 -0.00008362 -4098 9.85281056 -0.00011763 -0.00008346 -4099 9.85519104 -0.00011743 -0.00008330 -4100 9.85757151 -0.00011723 -0.00008314 -4101 9.85995199 -0.00011703 -0.00008298 -4102 9.86233247 -0.00011684 -0.00008282 -4103 9.86471294 -0.00011664 -0.00008266 -4104 9.86709342 -0.00011644 -0.00008250 -4105 9.86947389 -0.00011625 -0.00008234 -4106 9.87185437 -0.00011605 -0.00008218 -4107 9.87423485 -0.00011586 -0.00008202 -4108 9.87661532 -0.00011566 -0.00008187 -4109 9.87899580 -0.00011547 -0.00008171 -4110 9.88137628 -0.00011527 -0.00008155 -4111 9.88375675 -0.00011508 -0.00008140 -4112 9.88613723 -0.00011489 -0.00008124 -4113 9.88851770 -0.00011469 -0.00008108 -4114 9.89089818 -0.00011450 -0.00008093 -4115 9.89327866 -0.00011431 -0.00008077 -4116 9.89565913 -0.00011411 -0.00008062 -4117 9.89803961 -0.00011392 -0.00008046 -4118 9.90042008 -0.00011373 -0.00008031 -4119 9.90280056 -0.00011354 -0.00008016 -4120 9.90518104 -0.00011335 -0.00008000 -4121 9.90756151 -0.00011316 -0.00007985 -4122 9.90994199 -0.00011297 -0.00007970 -4123 9.91232246 -0.00011278 -0.00007954 -4124 9.91470294 -0.00011259 -0.00007939 -4125 9.91708342 -0.00011240 -0.00007924 -4126 9.91946389 -0.00011221 -0.00007909 -4127 9.92184437 -0.00011203 -0.00007894 -4128 9.92422484 -0.00011184 -0.00007879 -4129 9.92660532 -0.00011165 -0.00007863 -4130 9.92898580 -0.00011146 -0.00007848 -4131 9.93136627 -0.00011128 -0.00007833 -4132 9.93374675 -0.00011109 -0.00007818 -4133 9.93612723 -0.00011090 -0.00007804 -4134 9.93850770 -0.00011072 -0.00007789 -4135 9.94088818 -0.00011053 -0.00007774 -4136 9.94326865 -0.00011035 -0.00007759 -4137 9.94564913 -0.00011016 -0.00007744 -4138 9.94802961 -0.00010998 -0.00007729 -4139 9.95041008 -0.00010980 -0.00007715 -4140 9.95279056 -0.00010961 -0.00007700 -4141 9.95517103 -0.00010943 -0.00007685 -4142 9.95755151 -0.00010925 -0.00007671 -4143 9.95993199 -0.00010906 -0.00007656 -4144 9.96231246 -0.00010888 -0.00007641 -4145 9.96469294 -0.00010870 -0.00007627 -4146 9.96707341 -0.00010852 -0.00007612 -4147 9.96945389 -0.00010834 -0.00007598 -4148 9.97183437 -0.00010816 -0.00007583 -4149 9.97421484 -0.00010798 -0.00007569 -4150 9.97659532 -0.00010780 -0.00007555 -4151 9.97897580 -0.00010762 -0.00007540 -4152 9.98135627 -0.00010744 -0.00007526 -4153 9.98373675 -0.00010726 -0.00007512 -4154 9.98611722 -0.00010708 -0.00007497 -4155 9.98849770 -0.00010690 -0.00007483 -4156 9.99087818 -0.00010672 -0.00007469 -4157 9.99325865 -0.00010655 -0.00007455 -4158 9.99563913 -0.00010637 -0.00007440 -4159 9.99801960 -0.00010619 -0.00007426 -4160 10.00040008 -0.00010602 -0.00007412 -4161 10.00278056 -0.00010584 -0.00007398 -4162 10.00516103 -0.00010566 -0.00007384 -4163 10.00754151 -0.00010549 -0.00007370 -4164 10.00992198 -0.00010531 -0.00007356 -4165 10.01230246 -0.00010514 -0.00007342 -4166 10.01468294 -0.00010496 -0.00007328 -4167 10.01706341 -0.00010479 -0.00007314 -4168 10.01944389 -0.00010462 -0.00007301 -4169 10.02182436 -0.00010444 -0.00007287 -4170 10.02420484 -0.00010427 -0.00007273 -4171 10.02658532 -0.00010410 -0.00007259 -4172 10.02896579 -0.00010392 -0.00007245 -4173 10.03134627 -0.00010375 -0.00007232 -4174 10.03372675 -0.00010358 -0.00007218 -4175 10.03610722 -0.00010341 -0.00007204 -4176 10.03848770 -0.00010324 -0.00007191 -4177 10.04086817 -0.00010306 -0.00007177 -4178 10.04324865 -0.00010289 -0.00007164 -4179 10.04562913 -0.00010272 -0.00007150 -4180 10.04800960 -0.00010255 -0.00007137 -4181 10.05039008 -0.00010238 -0.00007123 -4182 10.05277055 -0.00010221 -0.00007110 -4183 10.05515103 -0.00010204 -0.00007096 -4184 10.05753151 -0.00010188 -0.00007083 -4185 10.05991198 -0.00010171 -0.00007069 -4186 10.06229246 -0.00010154 -0.00007056 -4187 10.06467293 -0.00010137 -0.00007043 -4188 10.06705341 -0.00010120 -0.00007030 -4189 10.06943389 -0.00010104 -0.00007016 -4190 10.07181436 -0.00010087 -0.00007003 -4191 10.07419484 -0.00010070 -0.00006990 -4192 10.07657532 -0.00010054 -0.00006977 -4193 10.07895579 -0.00010037 -0.00006964 -4194 10.08133627 -0.00010021 -0.00006950 -4195 10.08371674 -0.00010004 -0.00006937 -4196 10.08609722 -0.00009988 -0.00006924 -4197 10.08847770 -0.00009971 -0.00006911 -4198 10.09085817 -0.00009955 -0.00006898 -4199 10.09323865 -0.00009938 -0.00006885 -4200 10.09561912 -0.00009922 -0.00006872 -4201 10.09799960 -0.00009906 -0.00006859 -4202 10.10038008 -0.00009889 -0.00006847 -4203 10.10276055 -0.00009873 -0.00006834 -4204 10.10514103 -0.00009857 -0.00006821 -4205 10.10752150 -0.00009840 -0.00006808 -4206 10.10990198 -0.00009824 -0.00006795 -4207 10.11228246 -0.00009808 -0.00006783 -4208 10.11466293 -0.00009792 -0.00006770 -4209 10.11704341 -0.00009776 -0.00006757 -4210 10.11942388 -0.00009760 -0.00006744 -4211 10.12180436 -0.00009744 -0.00006732 -4212 10.12418484 -0.00009728 -0.00006719 -4213 10.12656531 -0.00009712 -0.00006707 -4214 10.12894579 -0.00009696 -0.00006694 -4215 10.13132627 -0.00009680 -0.00006681 -4216 10.13370674 -0.00009664 -0.00006669 -4217 10.13608722 -0.00009648 -0.00006656 -4218 10.13846769 -0.00009632 -0.00006644 -4219 10.14084817 -0.00009617 -0.00006632 -4220 10.14322865 -0.00009601 -0.00006619 -4221 10.14560912 -0.00009585 -0.00006607 -4222 10.14798960 -0.00009569 -0.00006594 -4223 10.15037007 -0.00009554 -0.00006582 -4224 10.15275055 -0.00009538 -0.00006570 -4225 10.15513103 -0.00009522 -0.00006557 -4226 10.15751150 -0.00009507 -0.00006545 -4227 10.15989198 -0.00009491 -0.00006533 -4228 10.16227245 -0.00009476 -0.00006521 -4229 10.16465293 -0.00009460 -0.00006509 -4230 10.16703341 -0.00009445 -0.00006496 -4231 10.16941388 -0.00009429 -0.00006484 -4232 10.17179436 -0.00009414 -0.00006472 -4233 10.17417483 -0.00009398 -0.00006460 -4234 10.17655531 -0.00009383 -0.00006448 -4235 10.17893579 -0.00009368 -0.00006436 -4236 10.18131626 -0.00009352 -0.00006424 -4237 10.18369674 -0.00009337 -0.00006412 -4238 10.18607722 -0.00009322 -0.00006400 -4239 10.18845769 -0.00009307 -0.00006388 -4240 10.19083817 -0.00009291 -0.00006376 -4241 10.19321864 -0.00009276 -0.00006364 -4242 10.19559912 -0.00009261 -0.00006353 -4243 10.19797960 -0.00009246 -0.00006341 -4244 10.20036007 -0.00009231 -0.00006329 -4245 10.20274055 -0.00009216 -0.00006317 -4246 10.20512102 -0.00009201 -0.00006305 -4247 10.20750150 -0.00009186 -0.00006294 -4248 10.20988198 -0.00009171 -0.00006282 -4249 10.21226245 -0.00009156 -0.00006270 -4250 10.21464293 -0.00009141 -0.00006259 -4251 10.21702340 -0.00009126 -0.00006247 -4252 10.21940388 -0.00009111 -0.00006235 -4253 10.22178436 -0.00009096 -0.00006224 -4254 10.22416483 -0.00009082 -0.00006212 -4255 10.22654531 -0.00009067 -0.00006201 -4256 10.22892579 -0.00009052 -0.00006189 -4257 10.23130626 -0.00009037 -0.00006178 -4258 10.23368674 -0.00009023 -0.00006166 -4259 10.23606721 -0.00009008 -0.00006155 -4260 10.23844769 -0.00008993 -0.00006143 -4261 10.24082817 -0.00008979 -0.00006132 -4262 10.24320864 -0.00008964 -0.00006121 -4263 10.24558912 -0.00008950 -0.00006109 -4264 10.24796959 -0.00008935 -0.00006098 -4265 10.25035007 -0.00008921 -0.00006087 -4266 10.25273055 -0.00008906 -0.00006075 -4267 10.25511102 -0.00008892 -0.00006064 -4268 10.25749150 -0.00008877 -0.00006053 -4269 10.25987197 -0.00008863 -0.00006042 -4270 10.26225245 -0.00008849 -0.00006031 -4271 10.26463293 -0.00008834 -0.00006019 -4272 10.26701340 -0.00008820 -0.00006008 -4273 10.26939388 -0.00008806 -0.00005997 -4274 10.27177435 -0.00008791 -0.00005986 -4275 10.27415483 -0.00008777 -0.00005975 -4276 10.27653531 -0.00008763 -0.00005964 -4277 10.27891578 -0.00008749 -0.00005953 -4278 10.28129626 -0.00008735 -0.00005942 -4279 10.28367674 -0.00008720 -0.00005931 -4280 10.28605721 -0.00008706 -0.00005920 -4281 10.28843769 -0.00008692 -0.00005909 -4282 10.29081816 -0.00008678 -0.00005898 -4283 10.29319864 -0.00008664 -0.00005887 -4284 10.29557912 -0.00008650 -0.00005876 -4285 10.29795959 -0.00008636 -0.00005866 -4286 10.30034007 -0.00008622 -0.00005855 -4287 10.30272054 -0.00008608 -0.00005844 -4288 10.30510102 -0.00008594 -0.00005833 -4289 10.30748150 -0.00008581 -0.00005823 -4290 10.30986197 -0.00008567 -0.00005812 -4291 10.31224245 -0.00008553 -0.00005801 -4292 10.31462292 -0.00008539 -0.00005790 -4293 10.31700340 -0.00008525 -0.00005780 -4294 10.31938388 -0.00008512 -0.00005769 -4295 10.32176435 -0.00008498 -0.00005758 -4296 10.32414483 -0.00008484 -0.00005748 -4297 10.32652531 -0.00008470 -0.00005737 -4298 10.32890578 -0.00008457 -0.00005727 -4299 10.33128626 -0.00008443 -0.00005716 -4300 10.33366673 -0.00008430 -0.00005706 -4301 10.33604721 -0.00008416 -0.00005695 -4302 10.33842769 -0.00008402 -0.00005685 -4303 10.34080816 -0.00008389 -0.00005674 -4304 10.34318864 -0.00008375 -0.00005664 -4305 10.34556911 -0.00008362 -0.00005654 -4306 10.34794959 -0.00008349 -0.00005643 -4307 10.35033007 -0.00008335 -0.00005633 -4308 10.35271054 -0.00008322 -0.00005622 -4309 10.35509102 -0.00008308 -0.00005612 -4310 10.35747149 -0.00008295 -0.00005602 -4311 10.35985197 -0.00008282 -0.00005592 -4312 10.36223245 -0.00008268 -0.00005581 -4313 10.36461292 -0.00008255 -0.00005571 -4314 10.36699340 -0.00008242 -0.00005561 -4315 10.36937387 -0.00008229 -0.00005551 -4316 10.37175435 -0.00008215 -0.00005541 -4317 10.37413483 -0.00008202 -0.00005530 -4318 10.37651530 -0.00008189 -0.00005520 -4319 10.37889578 -0.00008176 -0.00005510 -4320 10.38127626 -0.00008163 -0.00005500 -4321 10.38365673 -0.00008150 -0.00005490 -4322 10.38603721 -0.00008137 -0.00005480 -4323 10.38841768 -0.00008124 -0.00005470 -4324 10.39079816 -0.00008111 -0.00005460 -4325 10.39317864 -0.00008098 -0.00005450 -4326 10.39555911 -0.00008085 -0.00005440 -4327 10.39793959 -0.00008072 -0.00005430 -4328 10.40032006 -0.00008059 -0.00005420 -4329 10.40270054 -0.00008046 -0.00005410 -4330 10.40508102 -0.00008033 -0.00005400 -4331 10.40746149 -0.00008020 -0.00005391 -4332 10.40984197 -0.00008007 -0.00005381 -4333 10.41222244 -0.00007995 -0.00005371 -4334 10.41460292 -0.00007982 -0.00005361 -4335 10.41698340 -0.00007969 -0.00005351 -4336 10.41936387 -0.00007956 -0.00005342 -4337 10.42174435 -0.00007944 -0.00005332 -4338 10.42412482 -0.00007931 -0.00005322 -4339 10.42650530 -0.00007918 -0.00005312 -4340 10.42888578 -0.00007906 -0.00005303 -4341 10.43126625 -0.00007893 -0.00005293 -4342 10.43364673 -0.00007881 -0.00005284 -4343 10.43602721 -0.00007868 -0.00005274 -4344 10.43840768 -0.00007855 -0.00005264 -4345 10.44078816 -0.00007843 -0.00005255 -4346 10.44316863 -0.00007830 -0.00005245 -4347 10.44554911 -0.00007818 -0.00005236 -4348 10.44792959 -0.00007806 -0.00005226 -4349 10.45031006 -0.00007793 -0.00005217 -4350 10.45269054 -0.00007781 -0.00005207 -4351 10.45507101 -0.00007768 -0.00005198 -4352 10.45745149 -0.00007756 -0.00005188 -4353 10.45983197 -0.00007744 -0.00005179 -4354 10.46221244 -0.00007731 -0.00005169 -4355 10.46459292 -0.00007719 -0.00005160 -4356 10.46697339 -0.00007707 -0.00005151 -4357 10.46935387 -0.00007694 -0.00005141 -4358 10.47173435 -0.00007682 -0.00005132 -4359 10.47411482 -0.00007670 -0.00005123 -4360 10.47649530 -0.00007658 -0.00005113 -4361 10.47887578 -0.00007646 -0.00005104 -4362 10.48125625 -0.00007634 -0.00005095 -4363 10.48363673 -0.00007621 -0.00005086 -4364 10.48601720 -0.00007609 -0.00005076 -4365 10.48839768 -0.00007597 -0.00005067 -4366 10.49077816 -0.00007585 -0.00005058 -4367 10.49315863 -0.00007573 -0.00005049 -4368 10.49553911 -0.00007561 -0.00005040 -4369 10.49791958 -0.00007549 -0.00005031 -4370 10.50030006 -0.00007537 -0.00005022 -4371 10.50268054 -0.00007525 -0.00005012 -4372 10.50506101 -0.00007513 -0.00005003 -4373 10.50744149 -0.00007501 -0.00004994 -4374 10.50982196 -0.00007490 -0.00004985 -4375 10.51220244 -0.00007478 -0.00004976 -4376 10.51458292 -0.00007466 -0.00004967 -4377 10.51696339 -0.00007454 -0.00004958 -4378 10.51934387 -0.00007442 -0.00004949 -4379 10.52172434 -0.00007430 -0.00004940 -4380 10.52410482 -0.00007419 -0.00004932 -4381 10.52648530 -0.00007407 -0.00004923 -4382 10.52886577 -0.00007395 -0.00004914 -4383 10.53124625 -0.00007384 -0.00004905 -4384 10.53362673 -0.00007372 -0.00004896 -4385 10.53600720 -0.00007360 -0.00004887 -4386 10.53838768 -0.00007349 -0.00004878 -4387 10.54076815 -0.00007337 -0.00004870 -4388 10.54314863 -0.00007326 -0.00004861 -4389 10.54552911 -0.00007314 -0.00004852 -4390 10.54790958 -0.00007302 -0.00004843 -4391 10.55029006 -0.00007291 -0.00004835 -4392 10.55267053 -0.00007279 -0.00004826 -4393 10.55505101 -0.00007268 -0.00004817 -4394 10.55743149 -0.00007256 -0.00004809 -4395 10.55981196 -0.00007245 -0.00004800 -4396 10.56219244 -0.00007234 -0.00004791 -4397 10.56457291 -0.00007222 -0.00004783 -4398 10.56695339 -0.00007211 -0.00004774 -4399 10.56933387 -0.00007199 -0.00004766 -4400 10.57171434 -0.00007188 -0.00004757 -4401 10.57409482 -0.00007177 -0.00004748 -4402 10.57647530 -0.00007166 -0.00004740 -4403 10.57885577 -0.00007154 -0.00004731 -4404 10.58123625 -0.00007143 -0.00004723 -4405 10.58361672 -0.00007132 -0.00004714 -4406 10.58599720 -0.00007121 -0.00004706 -4407 10.58837768 -0.00007109 -0.00004697 -4408 10.59075815 -0.00007098 -0.00004689 -4409 10.59313863 -0.00007087 -0.00004681 -4410 10.59551910 -0.00007076 -0.00004672 -4411 10.59789958 -0.00007065 -0.00004664 -4412 10.60028006 -0.00007054 -0.00004656 -4413 10.60266053 -0.00007043 -0.00004647 -4414 10.60504101 -0.00007032 -0.00004639 -4415 10.60742148 -0.00007021 -0.00004631 -4416 10.60980196 -0.00007010 -0.00004622 -4417 10.61218244 -0.00006999 -0.00004614 -4418 10.61456291 -0.00006988 -0.00004606 -4419 10.61694339 -0.00006977 -0.00004597 -4420 10.61932386 -0.00006966 -0.00004589 -4421 10.62170434 -0.00006955 -0.00004581 -4422 10.62408482 -0.00006944 -0.00004573 -4423 10.62646529 -0.00006933 -0.00004565 -4424 10.62884577 -0.00006922 -0.00004557 -4425 10.63122625 -0.00006911 -0.00004548 -4426 10.63360672 -0.00006900 -0.00004540 -4427 10.63598720 -0.00006890 -0.00004532 -4428 10.63836767 -0.00006879 -0.00004524 -4429 10.64074815 -0.00006868 -0.00004516 -4430 10.64312863 -0.00006857 -0.00004508 -4431 10.64550910 -0.00006847 -0.00004500 -4432 10.64788958 -0.00006836 -0.00004492 -4433 10.65027005 -0.00006825 -0.00004484 -4434 10.65265053 -0.00006815 -0.00004476 -4435 10.65503101 -0.00006804 -0.00004468 -4436 10.65741148 -0.00006793 -0.00004460 -4437 10.65979196 -0.00006783 -0.00004452 -4438 10.66217243 -0.00006772 -0.00004444 -4439 10.66455291 -0.00006762 -0.00004436 -4440 10.66693339 -0.00006751 -0.00004428 -4441 10.66931386 -0.00006741 -0.00004420 -4442 10.67169434 -0.00006730 -0.00004412 -4443 10.67407481 -0.00006720 -0.00004405 -4444 10.67645529 -0.00006709 -0.00004397 -4445 10.67883577 -0.00006699 -0.00004389 -4446 10.68121624 -0.00006688 -0.00004381 -4447 10.68359672 -0.00006678 -0.00004373 -4448 10.68597720 -0.00006667 -0.00004366 -4449 10.68835767 -0.00006657 -0.00004358 -4450 10.69073815 -0.00006647 -0.00004350 -4451 10.69311862 -0.00006636 -0.00004342 -4452 10.69549910 -0.00006626 -0.00004335 -4453 10.69787958 -0.00006616 -0.00004327 -4454 10.70026005 -0.00006605 -0.00004319 -4455 10.70264053 -0.00006595 -0.00004312 -4456 10.70502100 -0.00006585 -0.00004304 -4457 10.70740148 -0.00006575 -0.00004296 -4458 10.70978196 -0.00006564 -0.00004289 -4459 10.71216243 -0.00006554 -0.00004281 -4460 10.71454291 -0.00006544 -0.00004273 -4461 10.71692338 -0.00006534 -0.00004266 -4462 10.71930386 -0.00006524 -0.00004258 -4463 10.72168434 -0.00006513 -0.00004251 -4464 10.72406481 -0.00006503 -0.00004243 -4465 10.72644529 -0.00006493 -0.00004236 -4466 10.72882577 -0.00006483 -0.00004228 -4467 10.73120624 -0.00006473 -0.00004221 -4468 10.73358672 -0.00006463 -0.00004213 -4469 10.73596719 -0.00006453 -0.00004206 -4470 10.73834767 -0.00006443 -0.00004198 -4471 10.74072815 -0.00006433 -0.00004191 -4472 10.74310862 -0.00006423 -0.00004183 -4473 10.74548910 -0.00006413 -0.00004176 -4474 10.74786957 -0.00006403 -0.00004169 -4475 10.75025005 -0.00006393 -0.00004161 -4476 10.75263053 -0.00006383 -0.00004154 -4477 10.75501100 -0.00006374 -0.00004147 -4478 10.75739148 -0.00006364 -0.00004139 -4479 10.75977195 -0.00006354 -0.00004132 -4480 10.76215243 -0.00006344 -0.00004125 -4481 10.76453291 -0.00006334 -0.00004117 -4482 10.76691338 -0.00006324 -0.00004110 -4483 10.76929386 -0.00006315 -0.00004103 -4484 10.77167433 -0.00006305 -0.00004096 -4485 10.77405481 -0.00006295 -0.00004088 -4486 10.77643529 -0.00006285 -0.00004081 -4487 10.77881576 -0.00006276 -0.00004074 -4488 10.78119624 -0.00006266 -0.00004067 -4489 10.78357672 -0.00006256 -0.00004060 -4490 10.78595719 -0.00006247 -0.00004053 -4491 10.78833767 -0.00006237 -0.00004045 -4492 10.79071814 -0.00006227 -0.00004038 -4493 10.79309862 -0.00006218 -0.00004031 -4494 10.79547910 -0.00006208 -0.00004024 -4495 10.79785957 -0.00006199 -0.00004017 -4496 10.80024005 -0.00006189 -0.00004010 -4497 10.80262052 -0.00006180 -0.00004003 -4498 10.80500100 -0.00006170 -0.00003996 -4499 10.80738148 -0.00006161 -0.00003989 -4500 10.80976195 -0.00006151 -0.00003982 -4501 10.81214243 -0.00006142 -0.00003975 -4502 10.81452290 -0.00006132 -0.00003968 -4503 10.81690338 -0.00006123 -0.00003961 -4504 10.81928386 -0.00006113 -0.00003954 -4505 10.82166433 -0.00006104 -0.00003947 -4506 10.82404481 -0.00006095 -0.00003940 -4507 10.82642529 -0.00006085 -0.00003933 -4508 10.82880576 -0.00006076 -0.00003926 -4509 10.83118624 -0.00006066 -0.00003919 -4510 10.83356671 -0.00006057 -0.00003912 -4511 10.83594719 -0.00006048 -0.00003906 -4512 10.83832767 -0.00006039 -0.00003899 -4513 10.84070814 -0.00006029 -0.00003892 -4514 10.84308862 -0.00006020 -0.00003885 -4515 10.84546909 -0.00006011 -0.00003878 -4516 10.84784957 -0.00006002 -0.00003871 -4517 10.85023005 -0.00005992 -0.00003865 -4518 10.85261052 -0.00005983 -0.00003858 -4519 10.85499100 -0.00005974 -0.00003851 -4520 10.85737147 -0.00005965 -0.00003844 -4521 10.85975195 -0.00005956 -0.00003838 -4522 10.86213243 -0.00005947 -0.00003831 -4523 10.86451290 -0.00005937 -0.00003824 -4524 10.86689338 -0.00005928 -0.00003818 -4525 10.86927385 -0.00005919 -0.00003811 -4526 10.87165433 -0.00005910 -0.00003804 -4527 10.87403481 -0.00005901 -0.00003798 -4528 10.87641528 -0.00005892 -0.00003791 -4529 10.87879576 -0.00005883 -0.00003784 -4530 10.88117624 -0.00005874 -0.00003778 -4531 10.88355671 -0.00005865 -0.00003771 -4532 10.88593719 -0.00005856 -0.00003765 -4533 10.88831766 -0.00005847 -0.00003758 -4534 10.89069814 -0.00005838 -0.00003751 -4535 10.89307862 -0.00005829 -0.00003745 -4536 10.89545909 -0.00005820 -0.00003738 -4537 10.89783957 -0.00005812 -0.00003732 -4538 10.90022004 -0.00005803 -0.00003725 -4539 10.90260052 -0.00005794 -0.00003719 -4540 10.90498100 -0.00005785 -0.00003712 -4541 10.90736147 -0.00005776 -0.00003706 -4542 10.90974195 -0.00005767 -0.00003699 -4543 10.91212242 -0.00005759 -0.00003693 -4544 10.91450290 -0.00005750 -0.00003687 -4545 10.91688338 -0.00005741 -0.00003680 -4546 10.91926385 -0.00005732 -0.00003674 -4547 10.92164433 -0.00005723 -0.00003667 -4548 10.92402480 -0.00005715 -0.00003661 -4549 10.92640528 -0.00005706 -0.00003655 -4550 10.92878576 -0.00005697 -0.00003648 -4551 10.93116623 -0.00005689 -0.00003642 -4552 10.93354671 -0.00005680 -0.00003636 -4553 10.93592719 -0.00005671 -0.00003629 -4554 10.93830766 -0.00005663 -0.00003623 -4555 10.94068814 -0.00005654 -0.00003617 -4556 10.94306861 -0.00005646 -0.00003610 -4557 10.94544909 -0.00005637 -0.00003604 -4558 10.94782957 -0.00005628 -0.00003598 -4559 10.95021004 -0.00005620 -0.00003592 -4560 10.95259052 -0.00005611 -0.00003585 -4561 10.95497099 -0.00005603 -0.00003579 -4562 10.95735147 -0.00005594 -0.00003573 -4563 10.95973195 -0.00005586 -0.00003567 -4564 10.96211242 -0.00005577 -0.00003561 -4565 10.96449290 -0.00005569 -0.00003554 -4566 10.96687337 -0.00005560 -0.00003548 -4567 10.96925385 -0.00005552 -0.00003542 -4568 10.97163433 -0.00005543 -0.00003536 -4569 10.97401480 -0.00005535 -0.00003530 -4570 10.97639528 -0.00005527 -0.00003524 -4571 10.97877576 -0.00005518 -0.00003518 -4572 10.98115623 -0.00005510 -0.00003511 -4573 10.98353671 -0.00005502 -0.00003505 -4574 10.98591718 -0.00005493 -0.00003499 -4575 10.98829766 -0.00005485 -0.00003493 -4576 10.99067814 -0.00005477 -0.00003487 -4577 10.99305861 -0.00005468 -0.00003481 -4578 10.99543909 -0.00005460 -0.00003475 -4579 10.99781956 -0.00005452 -0.00003469 -4580 11.00020004 -0.00005443 -0.00003463 -4581 11.00258052 -0.00005435 -0.00003457 -4582 11.00496099 -0.00005427 -0.00003451 -4583 11.00734147 -0.00005419 -0.00003445 -4584 11.00972194 -0.00005411 -0.00003439 -4585 11.01210242 -0.00005402 -0.00003433 -4586 11.01448290 -0.00005394 -0.00003427 -4587 11.01686337 -0.00005386 -0.00003422 -4588 11.01924385 -0.00005378 -0.00003416 -4589 11.02162432 -0.00005370 -0.00003410 -4590 11.02400480 -0.00005362 -0.00003404 -4591 11.02638528 -0.00005354 -0.00003398 -4592 11.02876575 -0.00005346 -0.00003392 -4593 11.03114623 -0.00005337 -0.00003386 -4594 11.03352671 -0.00005329 -0.00003380 -4595 11.03590718 -0.00005321 -0.00003375 -4596 11.03828766 -0.00005313 -0.00003369 -4597 11.04066813 -0.00005305 -0.00003363 -4598 11.04304861 -0.00005297 -0.00003357 -4599 11.04542909 -0.00005289 -0.00003351 -4600 11.04780956 -0.00005281 -0.00003346 -4601 11.05019004 -0.00005273 -0.00003340 -4602 11.05257051 -0.00005266 -0.00003334 -4603 11.05495099 -0.00005258 -0.00003328 -4604 11.05733147 -0.00005250 -0.00003323 -4605 11.05971194 -0.00005242 -0.00003317 -4606 11.06209242 -0.00005234 -0.00003311 -4607 11.06447289 -0.00005226 -0.00003306 -4608 11.06685337 -0.00005218 -0.00003300 -4609 11.06923385 -0.00005210 -0.00003294 -4610 11.07161432 -0.00005202 -0.00003289 -4611 11.07399480 -0.00005195 -0.00003283 -4612 11.07637528 -0.00005187 -0.00003277 -4613 11.07875575 -0.00005179 -0.00003272 -4614 11.08113623 -0.00005171 -0.00003266 -4615 11.08351670 -0.00005163 -0.00003261 -4616 11.08589718 -0.00005156 -0.00003255 -4617 11.08827766 -0.00005148 -0.00003249 -4618 11.09065813 -0.00005140 -0.00003244 -4619 11.09303861 -0.00005133 -0.00003238 -4620 11.09541908 -0.00005125 -0.00003233 -4621 11.09779956 -0.00005117 -0.00003227 -4622 11.10018004 -0.00005109 -0.00003222 -4623 11.10256051 -0.00005102 -0.00003216 -4624 11.10494099 -0.00005094 -0.00003211 -4625 11.10732146 -0.00005087 -0.00003205 -4626 11.10970194 -0.00005079 -0.00003200 -4627 11.11208242 -0.00005071 -0.00003194 -4628 11.11446289 -0.00005064 -0.00003189 -4629 11.11684337 -0.00005056 -0.00003183 -4630 11.11922384 -0.00005049 -0.00003178 -4631 11.12160432 -0.00005041 -0.00003172 -4632 11.12398480 -0.00005033 -0.00003167 -4633 11.12636527 -0.00005026 -0.00003162 -4634 11.12874575 -0.00005018 -0.00003156 -4635 11.13112623 -0.00005011 -0.00003151 -4636 11.13350670 -0.00005003 -0.00003145 -4637 11.13588718 -0.00004996 -0.00003140 -4638 11.13826765 -0.00004988 -0.00003135 -4639 11.14064813 -0.00004981 -0.00003129 -4640 11.14302861 -0.00004974 -0.00003124 -4641 11.14540908 -0.00004966 -0.00003119 -4642 11.14778956 -0.00004959 -0.00003113 -4643 11.15017003 -0.00004951 -0.00003108 -4644 11.15255051 -0.00004944 -0.00003103 -4645 11.15493099 -0.00004937 -0.00003097 -4646 11.15731146 -0.00004929 -0.00003092 -4647 11.15969194 -0.00004922 -0.00003087 -4648 11.16207241 -0.00004914 -0.00003082 -4649 11.16445289 -0.00004907 -0.00003076 -4650 11.16683337 -0.00004900 -0.00003071 -4651 11.16921384 -0.00004892 -0.00003066 -4652 11.17159432 -0.00004885 -0.00003061 -4653 11.17397479 -0.00004878 -0.00003055 -4654 11.17635527 -0.00004871 -0.00003050 -4655 11.17873575 -0.00004863 -0.00003045 -4656 11.18111622 -0.00004856 -0.00003040 -4657 11.18349670 -0.00004849 -0.00003035 -4658 11.18587718 -0.00004842 -0.00003030 -4659 11.18825765 -0.00004835 -0.00003024 -4660 11.19063813 -0.00004827 -0.00003019 -4661 11.19301860 -0.00004820 -0.00003014 -4662 11.19539908 -0.00004813 -0.00003009 -4663 11.19777956 -0.00004806 -0.00003004 -4664 11.20016003 -0.00004799 -0.00002999 -4665 11.20254051 -0.00004792 -0.00002994 -4666 11.20492098 -0.00004784 -0.00002989 -4667 11.20730146 -0.00004777 -0.00002984 -4668 11.20968194 -0.00004770 -0.00002979 -4669 11.21206241 -0.00004763 -0.00002973 -4670 11.21444289 -0.00004756 -0.00002968 -4671 11.21682336 -0.00004749 -0.00002963 -4672 11.21920384 -0.00004742 -0.00002958 -4673 11.22158432 -0.00004735 -0.00002953 -4674 11.22396479 -0.00004728 -0.00002948 -4675 11.22634527 -0.00004721 -0.00002943 -4676 11.22872575 -0.00004714 -0.00002938 -4677 11.23110622 -0.00004707 -0.00002933 -4678 11.23348670 -0.00004700 -0.00002928 -4679 11.23586717 -0.00004693 -0.00002923 -4680 11.23824765 -0.00004686 -0.00002919 -4681 11.24062813 -0.00004679 -0.00002914 -4682 11.24300860 -0.00004672 -0.00002909 -4683 11.24538908 -0.00004665 -0.00002904 -4684 11.24776955 -0.00004658 -0.00002899 -4685 11.25015003 -0.00004651 -0.00002894 -4686 11.25253051 -0.00004645 -0.00002889 -4687 11.25491098 -0.00004638 -0.00002884 -4688 11.25729146 -0.00004631 -0.00002879 -4689 11.25967193 -0.00004624 -0.00002874 -4690 11.26205241 -0.00004617 -0.00002870 -4691 11.26443289 -0.00004610 -0.00002865 -4692 11.26681336 -0.00004603 -0.00002860 -4693 11.26919384 -0.00004597 -0.00002855 -4694 11.27157431 -0.00004590 -0.00002850 -4695 11.27395479 -0.00004583 -0.00002845 -4696 11.27633527 -0.00004576 -0.00002841 -4697 11.27871574 -0.00004570 -0.00002836 -4698 11.28109622 -0.00004563 -0.00002831 -4699 11.28347670 -0.00004556 -0.00002826 -4700 11.28585717 -0.00004549 -0.00002822 -4701 11.28823765 -0.00004543 -0.00002817 -4702 11.29061812 -0.00004536 -0.00002812 -4703 11.29299860 -0.00004529 -0.00002807 -4704 11.29537908 -0.00004523 -0.00002803 -4705 11.29775955 -0.00004516 -0.00002798 -4706 11.30014003 -0.00004509 -0.00002793 -4707 11.30252050 -0.00004503 -0.00002788 -4708 11.30490098 -0.00004496 -0.00002784 -4709 11.30728146 -0.00004489 -0.00002779 -4710 11.30966193 -0.00004483 -0.00002774 -4711 11.31204241 -0.00004476 -0.00002770 -4712 11.31442288 -0.00004470 -0.00002765 -4713 11.31680336 -0.00004463 -0.00002760 -4714 11.31918384 -0.00004456 -0.00002756 -4715 11.32156431 -0.00004450 -0.00002751 -4716 11.32394479 -0.00004443 -0.00002747 -4717 11.32632527 -0.00004437 -0.00002742 -4718 11.32870574 -0.00004430 -0.00002737 -4719 11.33108622 -0.00004424 -0.00002733 -4720 11.33346669 -0.00004417 -0.00002728 -4721 11.33584717 -0.00004411 -0.00002724 -4722 11.33822765 -0.00004404 -0.00002719 -4723 11.34060812 -0.00004398 -0.00002715 -4724 11.34298860 -0.00004391 -0.00002710 -4725 11.34536907 -0.00004385 -0.00002705 -4726 11.34774955 -0.00004378 -0.00002701 -4727 11.35013003 -0.00004372 -0.00002696 -4728 11.35251050 -0.00004366 -0.00002692 -4729 11.35489098 -0.00004359 -0.00002687 -4730 11.35727145 -0.00004353 -0.00002683 -4731 11.35965193 -0.00004346 -0.00002678 -4732 11.36203241 -0.00004340 -0.00002674 -4733 11.36441288 -0.00004334 -0.00002669 -4734 11.36679336 -0.00004327 -0.00002665 -4735 11.36917383 -0.00004321 -0.00002660 -4736 11.37155431 -0.00004315 -0.00002656 -4737 11.37393479 -0.00004308 -0.00002652 -4738 11.37631526 -0.00004302 -0.00002647 -4739 11.37869574 -0.00004296 -0.00002643 -4740 11.38107622 -0.00004290 -0.00002638 -4741 11.38345669 -0.00004283 -0.00002634 -4742 11.38583717 -0.00004277 -0.00002629 -4743 11.38821764 -0.00004271 -0.00002625 -4744 11.39059812 -0.00004264 -0.00002621 -4745 11.39297860 -0.00004258 -0.00002616 -4746 11.39535907 -0.00004252 -0.00002612 -4747 11.39773955 -0.00004246 -0.00002608 -4748 11.40012002 -0.00004240 -0.00002603 -4749 11.40250050 -0.00004233 -0.00002599 -4750 11.40488098 -0.00004227 -0.00002595 -4751 11.40726145 -0.00004221 -0.00002590 -4752 11.40964193 -0.00004215 -0.00002586 -4753 11.41202240 -0.00004209 -0.00002582 -4754 11.41440288 -0.00004203 -0.00002577 -4755 11.41678336 -0.00004196 -0.00002573 -4756 11.41916383 -0.00004190 -0.00002569 -4757 11.42154431 -0.00004184 -0.00002564 -4758 11.42392478 -0.00004178 -0.00002560 -4759 11.42630526 -0.00004172 -0.00002556 -4760 11.42868574 -0.00004166 -0.00002552 -4761 11.43106621 -0.00004160 -0.00002547 -4762 11.43344669 -0.00004154 -0.00002543 -4763 11.43582717 -0.00004148 -0.00002539 -4764 11.43820764 -0.00004142 -0.00002535 -4765 11.44058812 -0.00004136 -0.00002531 -4766 11.44296859 -0.00004130 -0.00002526 -4767 11.44534907 -0.00004124 -0.00002522 -4768 11.44772955 -0.00004118 -0.00002518 -4769 11.45011002 -0.00004112 -0.00002514 -4770 11.45249050 -0.00004106 -0.00002510 -4771 11.45487097 -0.00004100 -0.00002505 -4772 11.45725145 -0.00004094 -0.00002501 -4773 11.45963193 -0.00004088 -0.00002497 -4774 11.46201240 -0.00004082 -0.00002493 -4775 11.46439288 -0.00004076 -0.00002489 -4776 11.46677335 -0.00004070 -0.00002485 -4777 11.46915383 -0.00004064 -0.00002481 -4778 11.47153431 -0.00004058 -0.00002476 -4779 11.47391478 -0.00004052 -0.00002472 -4780 11.47629526 -0.00004046 -0.00002468 -4781 11.47867574 -0.00004041 -0.00002464 -4782 11.48105621 -0.00004035 -0.00002460 -4783 11.48343669 -0.00004029 -0.00002456 -4784 11.48581716 -0.00004023 -0.00002452 -4785 11.48819764 -0.00004017 -0.00002448 -4786 11.49057812 -0.00004011 -0.00002444 -4787 11.49295859 -0.00004006 -0.00002440 -4788 11.49533907 -0.00004000 -0.00002436 -4789 11.49771954 -0.00003994 -0.00002432 -4790 11.50010002 -0.00003988 -0.00002428 -4791 11.50248050 -0.00003982 -0.00002424 -4792 11.50486097 -0.00003977 -0.00002420 -4793 11.50724145 -0.00003971 -0.00002416 -4794 11.50962192 -0.00003965 -0.00002412 -4795 11.51200240 -0.00003959 -0.00002408 -4796 11.51438288 -0.00003954 -0.00002404 -4797 11.51676335 -0.00003948 -0.00002400 -4798 11.51914383 -0.00003942 -0.00002396 -4799 11.52152430 -0.00003937 -0.00002392 -4800 11.52390478 -0.00003931 -0.00002388 -4801 11.52628526 -0.00003925 -0.00002384 -4802 11.52866573 -0.00003920 -0.00002380 -4803 11.53104621 -0.00003914 -0.00002376 -4804 11.53342669 -0.00003908 -0.00002372 -4805 11.53580716 -0.00003903 -0.00002368 -4806 11.53818764 -0.00003897 -0.00002364 -4807 11.54056811 -0.00003891 -0.00002361 -4808 11.54294859 -0.00003886 -0.00002357 -4809 11.54532907 -0.00003880 -0.00002353 -4810 11.54770954 -0.00003875 -0.00002349 -4811 11.55009002 -0.00003869 -0.00002345 -4812 11.55247049 -0.00003863 -0.00002341 -4813 11.55485097 -0.00003858 -0.00002337 -4814 11.55723145 -0.00003852 -0.00002333 -4815 11.55961192 -0.00003847 -0.00002330 -4816 11.56199240 -0.00003841 -0.00002326 -4817 11.56437287 -0.00003836 -0.00002322 -4818 11.56675335 -0.00003830 -0.00002318 -4819 11.56913383 -0.00003825 -0.00002314 -4820 11.57151430 -0.00003819 -0.00002311 -4821 11.57389478 -0.00003814 -0.00002307 -4822 11.57627526 -0.00003808 -0.00002303 -4823 11.57865573 -0.00003803 -0.00002299 -4824 11.58103621 -0.00003797 -0.00002295 -4825 11.58341668 -0.00003792 -0.00002292 -4826 11.58579716 -0.00003786 -0.00002288 -4827 11.58817764 -0.00003781 -0.00002284 -4828 11.59055811 -0.00003775 -0.00002280 -4829 11.59293859 -0.00003770 -0.00002277 -4830 11.59531906 -0.00003765 -0.00002273 -4831 11.59769954 -0.00003759 -0.00002269 -4832 11.60008002 -0.00003754 -0.00002265 -4833 11.60246049 -0.00003748 -0.00002262 -4834 11.60484097 -0.00003743 -0.00002258 -4835 11.60722144 -0.00003738 -0.00002254 -4836 11.60960192 -0.00003732 -0.00002251 -4837 11.61198240 -0.00003727 -0.00002247 -4838 11.61436287 -0.00003722 -0.00002243 -4839 11.61674335 -0.00003716 -0.00002240 -4840 11.61912382 -0.00003711 -0.00002236 -4841 11.62150430 -0.00003706 -0.00002232 -4842 11.62388478 -0.00003700 -0.00002229 -4843 11.62626525 -0.00003695 -0.00002225 -4844 11.62864573 -0.00003690 -0.00002221 -4845 11.63102621 -0.00003684 -0.00002218 -4846 11.63340668 -0.00003679 -0.00002214 -4847 11.63578716 -0.00003674 -0.00002210 -4848 11.63816763 -0.00003669 -0.00002207 -4849 11.64054811 -0.00003663 -0.00002203 -4850 11.64292859 -0.00003658 -0.00002200 -4851 11.64530906 -0.00003653 -0.00002196 -4852 11.64768954 -0.00003648 -0.00002192 -4853 11.65007001 -0.00003642 -0.00002189 -4854 11.65245049 -0.00003637 -0.00002185 -4855 11.65483097 -0.00003632 -0.00002182 -4856 11.65721144 -0.00003627 -0.00002178 -4857 11.65959192 -0.00003622 -0.00002175 -4858 11.66197239 -0.00003616 -0.00002171 -4859 11.66435287 -0.00003611 -0.00002168 -4860 11.66673335 -0.00003606 -0.00002164 -4861 11.66911382 -0.00003601 -0.00002160 -4862 11.67149430 -0.00003596 -0.00002157 -4863 11.67387477 -0.00003591 -0.00002153 -4864 11.67625525 -0.00003586 -0.00002150 -4865 11.67863573 -0.00003580 -0.00002146 -4866 11.68101620 -0.00003575 -0.00002143 -4867 11.68339668 -0.00003570 -0.00002139 -4868 11.68577716 -0.00003565 -0.00002136 -4869 11.68815763 -0.00003560 -0.00002132 -4870 11.69053811 -0.00003555 -0.00002129 -4871 11.69291858 -0.00003550 -0.00002126 -4872 11.69529906 -0.00003545 -0.00002122 -4873 11.69767954 -0.00003540 -0.00002119 -4874 11.70006001 -0.00003535 -0.00002115 -4875 11.70244049 -0.00003530 -0.00002112 -4876 11.70482096 -0.00003525 -0.00002108 -4877 11.70720144 -0.00003520 -0.00002105 -4878 11.70958192 -0.00003515 -0.00002101 -4879 11.71196239 -0.00003510 -0.00002098 -4880 11.71434287 -0.00003505 -0.00002095 -4881 11.71672334 -0.00003500 -0.00002091 -4882 11.71910382 -0.00003495 -0.00002088 -4883 11.72148430 -0.00003490 -0.00002084 -4884 11.72386477 -0.00003485 -0.00002081 -4885 11.72624525 -0.00003480 -0.00002078 -4886 11.72862573 -0.00003475 -0.00002074 -4887 11.73100620 -0.00003470 -0.00002071 -4888 11.73338668 -0.00003465 -0.00002068 -4889 11.73576715 -0.00003460 -0.00002064 -4890 11.73814763 -0.00003455 -0.00002061 -4891 11.74052811 -0.00003450 -0.00002058 -4892 11.74290858 -0.00003446 -0.00002054 -4893 11.74528906 -0.00003441 -0.00002051 -4894 11.74766953 -0.00003436 -0.00002048 -4895 11.75005001 -0.00003431 -0.00002044 -4896 11.75243049 -0.00003426 -0.00002041 -4897 11.75481096 -0.00003421 -0.00002038 -4898 11.75719144 -0.00003416 -0.00002034 -4899 11.75957191 -0.00003411 -0.00002031 -4900 11.76195239 -0.00003407 -0.00002028 -4901 11.76433287 -0.00003402 -0.00002025 -4902 11.76671334 -0.00003397 -0.00002021 -4903 11.76909382 -0.00003392 -0.00002018 -4904 11.77147429 -0.00003387 -0.00002015 -4905 11.77385477 -0.00003383 -0.00002011 -4906 11.77623525 -0.00003378 -0.00002008 -4907 11.77861572 -0.00003373 -0.00002005 -4908 11.78099620 -0.00003368 -0.00002002 -4909 11.78337668 -0.00003364 -0.00001998 -4910 11.78575715 -0.00003359 -0.00001995 -4911 11.78813763 -0.00003354 -0.00001992 -4912 11.79051810 -0.00003349 -0.00001989 -4913 11.79289858 -0.00003345 -0.00001986 -4914 11.79527906 -0.00003340 -0.00001982 -4915 11.79765953 -0.00003335 -0.00001979 -4916 11.80004001 -0.00003330 -0.00001976 -4917 11.80242048 -0.00003326 -0.00001973 -4918 11.80480096 -0.00003321 -0.00001970 -4919 11.80718144 -0.00003316 -0.00001967 -4920 11.80956191 -0.00003312 -0.00001963 -4921 11.81194239 -0.00003307 -0.00001960 -4922 11.81432286 -0.00003302 -0.00001957 -4923 11.81670334 -0.00003298 -0.00001954 -4924 11.81908382 -0.00003293 -0.00001951 -4925 11.82146429 -0.00003288 -0.00001948 -4926 11.82384477 -0.00003284 -0.00001944 -4927 11.82622525 -0.00003279 -0.00001941 -4928 11.82860572 -0.00003274 -0.00001938 -4929 11.83098620 -0.00003270 -0.00001935 -4930 11.83336667 -0.00003265 -0.00001932 -4931 11.83574715 -0.00003261 -0.00001929 -4932 11.83812763 -0.00003256 -0.00001926 -4933 11.84050810 -0.00003252 -0.00001923 -4934 11.84288858 -0.00003247 -0.00001920 -4935 11.84526905 -0.00003242 -0.00001917 -4936 11.84764953 -0.00003238 -0.00001913 -4937 11.85003001 -0.00003233 -0.00001910 -4938 11.85241048 -0.00003229 -0.00001907 -4939 11.85479096 -0.00003224 -0.00001904 -4940 11.85717143 -0.00003220 -0.00001901 -4941 11.85955191 -0.00003215 -0.00001898 -4942 11.86193239 -0.00003211 -0.00001895 -4943 11.86431286 -0.00003206 -0.00001892 -4944 11.86669334 -0.00003202 -0.00001889 -4945 11.86907381 -0.00003197 -0.00001886 -4946 11.87145429 -0.00003193 -0.00001883 -4947 11.87383477 -0.00003188 -0.00001880 -4948 11.87621524 -0.00003184 -0.00001877 -4949 11.87859572 -0.00003179 -0.00001874 -4950 11.88097620 -0.00003175 -0.00001871 -4951 11.88335667 -0.00003170 -0.00001868 -4952 11.88573715 -0.00003166 -0.00001865 -4953 11.88811762 -0.00003161 -0.00001862 -4954 11.89049810 -0.00003157 -0.00001859 -4955 11.89287858 -0.00003153 -0.00001856 -4956 11.89525905 -0.00003148 -0.00001853 -4957 11.89763953 -0.00003144 -0.00001850 -4958 11.90002000 -0.00003139 -0.00001847 -4959 11.90240048 -0.00003135 -0.00001844 -4960 11.90478096 -0.00003131 -0.00001841 -4961 11.90716143 -0.00003126 -0.00001838 -4962 11.90954191 -0.00003122 -0.00001835 -4963 11.91192238 -0.00003117 -0.00001832 -4964 11.91430286 -0.00003113 -0.00001829 -4965 11.91668334 -0.00003109 -0.00001827 -4966 11.91906381 -0.00003104 -0.00001824 -4967 11.92144429 -0.00003100 -0.00001821 -4968 11.92382476 -0.00003096 -0.00001818 -4969 11.92620524 -0.00003091 -0.00001815 -4970 11.92858572 -0.00003087 -0.00001812 -4971 11.93096619 -0.00003083 -0.00001809 -4972 11.93334667 -0.00003078 -0.00001806 -4973 11.93572715 -0.00003074 -0.00001803 -4974 11.93810762 -0.00003070 -0.00001801 -4975 11.94048810 -0.00003066 -0.00001798 -4976 11.94286857 -0.00003061 -0.00001795 -4977 11.94524905 -0.00003057 -0.00001792 -4978 11.94762953 -0.00003053 -0.00001789 -4979 11.95001000 -0.00003049 -0.00001786 -4980 11.95239048 -0.00003044 -0.00001783 -4981 11.95477095 -0.00003040 -0.00001781 -4982 11.95715143 -0.00003036 -0.00001778 -4983 11.95953191 -0.00003032 -0.00001775 -4984 11.96191238 -0.00003027 -0.00001772 -4985 11.96429286 -0.00003023 -0.00001769 -4986 11.96667333 -0.00003019 -0.00001766 -4987 11.96905381 -0.00003015 -0.00001764 -4988 11.97143429 -0.00003011 -0.00001761 -4989 11.97381476 -0.00003006 -0.00001758 -4990 11.97619524 -0.00003002 -0.00001755 -4991 11.97857572 -0.00002998 -0.00001752 -4992 11.98095619 -0.00002994 -0.00001750 -4993 11.98333667 -0.00002990 -0.00001747 -4994 11.98571714 -0.00002986 -0.00001744 -4995 11.98809762 -0.00002981 -0.00001741 -4996 11.99047810 -0.00002977 -0.00001739 -4997 11.99285857 -0.00002973 -0.00001736 -4998 11.99523905 -0.00002969 -0.00001733 -4999 11.99761952 -0.00002965 -0.00001730 -5000 12.00000000 -0.00002961 -0.00001728 diff --git a/examples/saftvrqmie/deuterium_helium_binary.ipynb b/examples/saftvrqmie/deuterium_helium_binary.ipynb deleted file mode 100644 index 4dfc0717f..000000000 --- a/examples/saftvrqmie/deuterium_helium_binary.ipynb +++ /dev/null @@ -1,491 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "535e17ea-fe17-47c0-9b56-358f3f5541fa", - "metadata": {}, - "source": [ - "# Surface tension calculations using DFT for Helium-Deuterium mixtures\n", - "Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon and their mixtures ([doi:10.1063/5.0137226](https://doi.org/10.1063/5.0137226))" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "b1e9c899-f524-4913-bed5-cf01cfb7ad35", - "metadata": {}, - "outputs": [], - "source": [ - "from feos import *\n", - "from feos.dft import *\n", - "from feos.saftvrqmie import *\n", - "import matplotlib.pyplot as plt\n", - "import si_units as si\n", - "import numpy as np\n", - "import pandas as pd\n", - "import seaborn as sns\n", - "import tqdm\n", - "import json\n", - "from scipy.optimize import fsolve\n", - "\n", - "sns.set_context('talk')\n", - "sns.set_palette('Dark2')\n", - "sns.set_style('ticks')" - ] - }, - { - "cell_type": "markdown", - "id": "4026bf8d-a6b7-42a8-8040-695b73361041", - "metadata": {}, - "source": [ - "# Set up FEOS functional" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "3324bf33-e087-4e87-91e9-9db68a0f13b3", - "metadata": {}, - "outputs": [], - "source": [ - "parameters = SaftVRQMieParameters.from_json([\"helium\", \"deuterium\"], \n", - " \"../../parameters/saftvrqmie/hammer2023.json\", \n", - " binary_path=\"../../parameters/saftvrqmie/aasen2020_binary.json\")\n", - "eos = HelmholtzEnergyFunctional.saftvrqmie(parameters)" - ] - }, - { - "cell_type": "markdown", - "id": "26caf1d0-ca66-4753-82db-a4557386efa9", - "metadata": {}, - "source": [ - "## Critcal temperature estimate" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "9dd67350-beaa-44d9-bf0f-aaa08ccc88e3", - "metadata": {}, - "outputs": [], - "source": [ - "tc_deuterium = 38.34\n", - "cp = State.critical_point(eos, np.array([0.5, 0.5]) * si.MOL, initial_temperature=35*si.KELVIN)" - ] - }, - { - "cell_type": "markdown", - "id": "2833757d-c7b7-4f1c-8173-a4409698132c", - "metadata": {}, - "source": [ - "# Utility functions" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "f68a0bd7-5caa-418b-8dd7-6e62a84259f7", - "metadata": {}, - "outputs": [], - "source": [ - "def density_error(x_he, T, eos, rho_he_spec):\n", - " \"\"\"Evaluate relative error in partial density for helium\"\"\"\n", - " x = np.array([x_he[0]/1000, 1-x_he[0]/1000])\n", - " vle_guess = PhaseEquilibrium.bubble_point(eos, T * si.KELVIN, x)\n", - " rho_he = vle_guess.vapor.partial_density[0] / si.MOL * si.METER**3\n", - " error = (rho_he_spec - rho_he)/rho_he_spec\n", - " return error\n", - "\n", - "def surftens_mulero2012(fluid, tr):\n", - " \"\"\"\n", - " Calculate pure fluid surface tension using Mulero et al. 2012 correlation (doi:10.1063/1.4768782)\n", - " Args:\n", - " fluid (str): Component name\n", - " tr (np.ndarray): Reduced temperature\n", - " Returns:\n", - " sigma (np.ndarray): Surface tension (mN/m)\n", - " \"\"\"\n", - " ff = open(\"mulero_2012_parameters.json\", \"r\")\n", - " complist = json.load(ff)\n", - " ff.close()\n", - " sigma = np.zeros_like(tr)\n", - " for i in range(len(complist[fluid][\"sigma\"])):\n", - " sigma[:] += complist[fluid][\"sigma\"][i] * \\\n", - " (1-tr[:])**complist[fluid][\"n\"][i]\n", - " return sigma * si.NEWTON / si.METER / (si.MILLI * si.NEWTON/ si.METER)" - ] - }, - { - "cell_type": "markdown", - "id": "662d51a3-25c9-4f66-95df-e42d000475a4", - "metadata": {}, - "source": [ - "# Load experimental data and set some constants\n", - "Paine and Seidel.\n", - "*The adsorption of helium on liquid hydrogen.*\n", - "Phys. B: Condens. Matter, 1994." - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "59adc4e1-4b45-4866-9eae-45e9584024cb", - "metadata": {}, - "outputs": [], - "source": [ - "data = np.loadtxt(\"./data/deuterium_helium_exp_data.dat\", skiprows=1)\n", - "NA = 6.02214857E+23\n", - "Temperatures = np.unique(data[:, 0])" - ] - }, - { - "cell_type": "markdown", - "id": "28113b38-663f-4c56-95d8-25bb78cde0e1", - "metadata": {}, - "source": [ - "# Polynomial $x_{\\rm{He}}(\\rho_{\\rm{He}}) \\times 1000$ along Pxy curve" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "26bbc37f-cb82-44ba-b9de-0fe4133cdd3b", - "metadata": {}, - "outputs": [], - "source": [ - "polynomialfit = {}\n", - "polynomialfit[\"20\"] = np.poly1d([2.77511195e-13, -1.62794362e-08, 1.04061440e-03, 3.55749085e-03])\n", - "polynomialfit[\"21\"] = np.poly1d([3.11050375e-13, -1.78452507e-08, 1.25231735e-03, 3.42794882e-03])\n", - "polynomialfit[\"22\"] = np.poly1d([3.41745522e-13, -1.91263957e-08, 1.49186801e-03, 3.41256793e-03])\n", - "polynomialfit[\"23\"] = np.poly1d([3.80433522e-13, -2.02545613e-08, 1.76336232e-03, 3.12420795e-03])\n", - "polynomialfit[\"24\"] = np.poly1d([4.18253168e-13, -2.08976527e-08, 2.06946383e-03, 2.97772280e-03])\n", - "polynomialfit[\"26\"] = np.poly1d([5.19526320e-13, -2.04475681e-08, 2.80633414e-03, 2.62607082e-03])" - ] - }, - { - "cell_type": "markdown", - "id": "30763142-e9f3-44a4-96b3-47ed6b7a8321", - "metadata": {}, - "source": [ - "# Find helium vapor composition, $x_{\\rm{max}}$, given $\\rho_{\\rm{He}} (x_{\\rm{max}})$ = $\\rho_{\\rm{max}}$" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "3896cf04-ccf6-470a-9a0c-299f7267b02c", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 6/6 [00:04<00:00, 1.20it/s]\n" - ] - } - ], - "source": [ - "rho_max = 12000.0\n", - "x_max = []\n", - "x_he_fun_of_rho = {}\n", - "for T in tqdm.tqdm(Temperatures):\n", - " x0 = polynomialfit[str(int(T))](rho_max)\n", - " # Solve for rho_he(x) = rho_max\n", - " x = fsolve(density_error, x0, args=(T, eos, rho_max))\n", - " x_max.append(x[0]/1000)" - ] - }, - { - "cell_type": "markdown", - "id": "c2aafa05-af33-4fa9-b51d-4bdc1fce7d53", - "metadata": {}, - "source": [ - "# Map isotherms to $x_{\\rm{He}}=x_{\\rm{max}}$" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "76a4766a-2eeb-47ca-9862-53a3b41f4df1", - "metadata": { - "tags": [] - }, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 6/6 [00:08<00:00, 1.41s/it]\n" - ] - } - ], - "source": [ - "states = []\n", - "for i, T in enumerate(tqdm.tqdm(Temperatures)):\n", - " xa = np.linspace(1.0e-8, x_max[i], 20)\n", - " T_states = []\n", - " for x in xa:\n", - " x_sol = np.array([x, 1-x])\n", - " state = PhaseEquilibrium.bubble_point(eos, T * si.KELVIN, x_sol)\n", - " T_states.append(state)\n", - " states.append(T_states)" - ] - }, - { - "cell_type": "markdown", - "id": "f20b3e86-56f9-4579-9458-77ed1f58b779", - "metadata": {}, - "source": [ - "# Calculate and plot surface tension along the isotherms" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "id": "a5f84762-277a-4bd7-b801-3ffceefb000d", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 6/6 [01:49<00:00, 18.26s/it]\n" - ] - } - ], - "source": [ - "gamma = []\n", - "for T_states in tqdm.tqdm(states):\n", - " gamma_T = []\n", - " for state in T_states:\n", - " gamma_T.append(PlanarInterface.from_tanh(state, 1024, 200 * si.ANGSTROM, cp.temperature).solve().surface_tension / (si.MILLI * si.NEWTON / si.METER))\n", - " gamma.append(gamma_T)" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "id": "6b680af8-4e72-4fc4-a3da-843a5700c895", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(9, 6))\n", - "colors = [\"k\",\"g\",\"r\",\"b\",\"grey\",\"orange\",\"cyan\"]\n", - "for i, T in enumerate(Temperatures):\n", - " rho = []\n", - " for state in states[i]:\n", - " rho.append(state.vapor.partial_density[0] / si.MOL * si.METER**3)\n", - " plt.plot(np.array(rho)/1000, gamma[i], label=f\"{T:.1f} K\", color=colors[i])\n", - " rho_exp = data[np.isclose(data[:, 0], T, atol=0.001),1] * 1e27 / NA\n", - " sur_tens_exp = data[np.isclose(data[:, 0], T, atol=0.001),2]\n", - " plt.plot(rho_exp/1000, sur_tens_exp, linestyle=\"None\", marker=\"o\", color=colors[i])\n", - " tr = np.array([T/tc_deuterium])\n", - " s_nist = surftens_mulero2012(\"deuterium\", tr)\n", - " plt.plot([0.0], s_nist, \"*\", color=colors[i]) \n", - "\n", - "plt.xlabel(r'$\\rho_{\\rm{He}}$ (kmol/m$^3$)')\n", - "plt.ylabel(r'$\\gamma$ (mN/m)')\n", - "leg = plt.legend(loc='best', ncol=2, frameon=False)" - ] - }, - { - "cell_type": "markdown", - "id": "6c47afd2-2565-427e-9758-082a3bb31cef", - "metadata": {}, - "source": [ - "# Calculate composition given partial helium density of each experimental point" - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "id": "42b237ea-1fa6-40b7-bdab-93acfc714841", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 6/6 [00:42<00:00, 7.10s/it]\n" - ] - } - ], - "source": [ - "exp_states = []\n", - "for T in tqdm.tqdm(Temperatures):\n", - " # Loop all experiments on current temperature\n", - " data_T = data[np.isclose(data[:,0],T),1:3]\n", - " for j in range(np.shape(data_T)[0]):\n", - " rho_he_j = data_T[j,0] * 1e27 / NA\n", - " surftens_exp = data_T[j,1]\n", - " # Interpolate to get initial guess, x0: rho_he(x0) ~= rho_he_j\n", - " x0 = polynomialfit[str(int(T))](rho_he_j)\n", - " # Solve for rho_he(x) = rho_he_j\n", - " x = fsolve(density_error, x0, args=(T, eos, rho_he_j))\n", - " exp_states.append([x[0]/1000, surftens_exp, T])" - ] - }, - { - "cell_type": "markdown", - "id": "3b72f673-0ee9-43dd-97bc-d65e935b5918", - "metadata": {}, - "source": [ - "# Calculate state and surface tension for the experimental points" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "id": "230ef919-038a-4b94-9bdb-1e3f8376ec83", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 69/69 [00:04<00:00, 14.01it/s]\n" - ] - } - ], - "source": [ - "states = []\n", - "for x, s_exp, T in tqdm.tqdm(exp_states):\n", - " x_sol = np.array([x, 1-x])\n", - " state = PhaseEquilibrium.bubble_point(eos, T * si.KELVIN, x_sol)\n", - " states.append([state, s_exp, T])" - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "id": "baa71ae1-ebdb-45a3-adaf-ae0a1b204314", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 69/69 [01:03<00:00, 1.09it/s]\n" - ] - } - ], - "source": [ - "sft = []\n", - "for state, s_exp, T in tqdm.tqdm(states):\n", - " sft.append({\n", - " \"dft\": PlanarInterface.from_tanh(state, 1024, 200 * si.ANGSTROM, cp.temperature).solve().surface_tension / (si.MILLI * si.NEWTON / si.METER), \n", - " \"exp\": s_exp,\n", - " \"T\": T}\n", - " )" - ] - }, - { - "cell_type": "markdown", - "id": "52550387-b342-403b-a984-770ec0caadb6", - "metadata": {}, - "source": [ - "# Calculate mean absolute deviation (MAD)" - ] - }, - { - "cell_type": "code", - "execution_count": 14, - "id": "afd35d6c-1ef6-4599-83a2-aaaf2175b585", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "MAD=1.3 %\n" - ] - } - ], - "source": [ - "df = pd.DataFrame(sft)\n", - "mad = 100*np.sum(np.abs((df.dft-df.exp)/df.exp))/df.exp.shape[0]\n", - "print(f\"MAD={mad:.1f} %\")" - ] - }, - { - "cell_type": "markdown", - "id": "167de8bc-1090-4455-8221-5cfced6cc0f0", - "metadata": {}, - "source": [ - "# Plot error map" - ] - }, - { - "cell_type": "code", - "execution_count": 15, - "id": "bfb4d45e-f9c6-44f6-98fc-a56a95503028", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(9, 6))\n", - "smax = 4\n", - "err_fan = 0.1\n", - "groups = df.groupby('T')\n", - "for i, res in enumerate(groups):\n", - " name=res[0]\n", - " group=res[1]\n", - " plt.plot(group.exp, group.dft, \"o\", color=colors[i], label=str(name))\n", - "plt.plot([0, smax], [0, smax], color=\"black\", linestyle=\"dashed\", alpha=1.0, lw=1.5)\n", - "plt.plot([0, smax*(1+err_fan/2)], [0, smax*(1-err_fan/2)], color=\"black\", linestyle=\"dotted\", alpha=0.5, lw=1.5)\n", - "plt.plot([0, smax*(1-err_fan/2)], [0, smax*(1+err_fan/2)], color=\"black\", linestyle=\"dotted\", alpha=0.5, lw=1.5)\n", - "plt.ylabel(r'$\\gamma$ (mN/m)')\n", - "plt.xlabel(r'$\\gamma_{\\rm{Exp.}}$ (mN/m)')\n", - "plt.xlim(1, smax)\n", - "plt.ylim(1, smax)\n", - "leg = plt.legend(loc='best', ncol=2, frameon=False)" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/saftvrqmie/deuterium_neon_32K.rdf b/examples/saftvrqmie/deuterium_neon_32K.rdf deleted file mode 100644 index b07e9bf2c..000000000 --- a/examples/saftvrqmie/deuterium_neon_32K.rdf +++ /dev/null @@ -1,504 +0,0 @@ -# g(r) for ${substance1} ${substance2} at rho=${initial_density}, t=${t} -i r g11 c11 g12 c12 g21 c21 g22 c22 -# Row c_gr[1] c_gr[2] c_gr[3] c_gr[4] c_gr[5] c_gr[6] c_gr[7] c_gr[8] c_gr[9] -# 1000000 500 -1 0.012 0 0 0 0 0 0 0 0 -2 0.036 0 0 0 0 0 0 0 0 -3 0.06 0 0 0 0 0 0 0 0 -4 0.084 0 0 0 0 0 0 0 0 -5 0.108 0 0 0 0 0 0 0 0 -6 0.132 0 0 0 0 0 0 0 0 -7 0.156 0 0 0 0 0 0 0 0 -8 0.18 0 0 0 0 0 0 0 0 -9 0.204 0 0 0 0 0 0 0 0 -10 0.228 0 0 0 0 0 0 0 0 -11 0.252 0 0 0 0 0 0 0 0 -12 0.276 0 0 0 0 0 0 0 0 -13 0.3 0 0 0 0 0 0 0 0 -14 0.324 0 0 0 0 0 0 0 0 -15 0.348 0 0 0 0 0 0 0 0 -16 0.372 0 0 0 0 0 0 0 0 -17 0.396 0 0 0 0 0 0 0 0 -18 0.42 0 0 0 0 0 0 0 0 -19 0.444 0 0 0 0 0 0 0 0 -20 0.468 0 0 0 0 0 0 0 0 -21 0.492 0 0 0 0 0 0 0 0 -22 0.516 0 0 0 0 0 0 0 0 -23 0.54 0 0 0 0 0 0 0 0 -24 0.564 0 0 0 0 0 0 0 0 -25 0.588 0 0 0 0 0 0 0 0 -26 0.612 0 0 0 0 0 0 0 0 -27 0.636 0 0 0 0 0 0 0 0 -28 0.66 0 0 0 0 0 0 0 0 -29 0.684 0 0 0 0 0 0 0 0 -30 0.708 0 0 0 0 0 0 0 0 -31 0.732 0 0 0 0 0 0 0 0 -32 0.756 0 0 0 0 0 0 0 0 -33 0.78 0 0 0 0 0 0 0 0 -34 0.804 0 0 0 0 0 0 0 0 -35 0.828 0 0 0 0 0 0 0 0 -36 0.852 0 0 0 0 0 0 0 0 -37 0.876 0 0 0 0 0 0 0 0 -38 0.9 0 0 0 0 0 0 0 0 -39 0.924 0 0 0 0 0 0 0 0 -40 0.948 0 0 0 0 0 0 0 0 -41 0.972 0 0 0 0 0 0 0 0 -42 0.996 0 0 0 0 0 0 0 0 -43 1.02 0 0 0 0 0 0 0 0 -44 1.044 0 0 0 0 0 0 0 0 -45 1.068 0 0 0 0 0 0 0 0 -46 1.092 0 0 0 0 0 0 0 0 -47 1.116 0 0 0 0 0 0 0 0 -48 1.14 0 0 0 0 0 0 0 0 -49 1.164 0 0 0 0 0 0 0 0 -50 1.188 0 0 0 0 0 0 0 0 -51 1.212 0 0 0 0 0 0 0 0 -52 1.236 0 0 0 0 0 0 0 0 -53 1.26 0 0 0 0 0 0 0 0 -54 1.284 0 0 0 0 0 0 0 0 -55 1.308 0 0 0 0 0 0 0 0 -56 1.332 0 0 0 0 0 0 0 0 -57 1.356 0 0 0 0 0 0 0 0 -58 1.38 0 0 0 0 0 0 0 0 -59 1.404 0 0 0 0 0 0 0 0 -60 1.428 0 0 0 0 0 0 0 0 -61 1.452 0 0 0 0 0 0 0 0 -62 1.476 0 0 0 0 0 0 0 0 -63 1.5 0 0 0 0 0 0 0 0 -64 1.524 0 0 0 0 0 0 0 0 -65 1.548 0 0 0 0 0 0 0 0 -66 1.572 0 0 0 0 0 0 0 0 -67 1.596 0 0 0 0 0 0 0 0 -68 1.62 0 0 0 0 0 0 0 0 -69 1.644 0 0 0 0 0 0 0 0 -70 1.668 0 0 0 0 0 0 0 0 -71 1.692 0 0 0 0 0 0 0 0 -72 1.716 0 0 0 0 0 0 0 0 -73 1.74 0 0 0 0 0 0 0 0 -74 1.764 0 0 0 0 0 0 0 0 -75 1.788 0 0 0 0 0 0 0 0 -76 1.812 0 0 0 0 0 0 0 0 -77 1.836 0 0 0 0 0 0 0 0 -78 1.86 0 0 0 0 0 0 0 0 -79 1.884 0 0 0 0 0 0 0 0 -80 1.908 0 0 0 0 0 0 0 0 -81 1.932 0 0 0 0 0 0 0 0 -82 1.956 0 0 0 0 0 0 0 0 -83 1.98 0 0 0 0 0 0 0 0 -84 2.004 0 0 0 0 0 0 0 0 -85 2.028 0 0 0 0 0 0 0 0 -86 2.052 0 0 0 0 0 0 0 0 -87 2.076 0 0 0 0 0 0 0 0 -88 2.1 0 0 0 0 0 0 0 0 -89 2.124 0 0 0 0 0 0 0 0 -90 2.148 0 0 0 0 0 0 0 0 -91 2.172 0 0 0 0 0 0 0 0 -92 2.196 0 0 0 0 0 0 0 0 -93 2.22 0 0 0 0 0 0 0 0 -94 2.244 0 0 0 0 0 0 0 0 -95 2.268 0 0 0 0 0 0 0 0 -96 2.292 0 0 0 0 0 0 0 0 -97 2.316 0 0 0 0 0 0 0 0 -98 2.34 0 0 0 0 0 0 0 0 -99 2.364 0 0 0 0 0 0 0 0 -100 2.388 0 0 0 0 0 0 0 0 -101 2.412 0 0 0 0 0 0 0 0 -102 2.436 0 0 0 0 0 0 0 0 -103 2.46 0 0 0 0 0 0 0 0 -104 2.484 0 0 0 0 0 0 5.81491e-06 2.49975e-07 -105 2.508 0 0 0 0 0 0 6.41717e-05 3.06219e-06 -106 2.532 0 0 0 0 0 0 0.000351182 1.87481e-05 -107 2.556 0 0 0 0 0 0 0.00124392 7.53675e-05 -108 2.58 0 0 0 0 0 0 0.0043863 0.000278785 -109 2.604 0 0 7.93451e-06 3.74963e-07 7.93451e-06 9.37406e-08 0.0121171 0.000851227 -110 2.628 0 0 5.1935e-05 2.87471e-06 5.1935e-05 7.18678e-07 0.0304058 0.00231427 -111 2.652 0 0 0.000239697 1.46235e-05 0.000239697 3.65588e-06 0.0649793 0.00549826 -112 2.676 0 0 0.000954188 6.22438e-05 0.000954188 1.55609e-05 0.124374 0.0117034 -113 2.7 0 0 0.00297673 0.000213479 0.00297673 5.33697e-05 0.215153 0.022631 -114 2.724 0 0 0.00810402 0.000632562 0.00810402 0.00015814 0.344792 0.0404556 -115 2.748 0 0 0.0189542 0.00163009 0.0189542 0.000407522 0.509719 0.0672729 -116 2.772 3.73902e-05 4.9995e-07 0.0397965 0.00376125 0.0397965 0.000940312 0.711764 0.105377 -117 2.796 0.000294009 4.49955e-06 0.0752616 0.00786171 0.0752616 0.00196543 0.938872 0.156513 -118 2.82 0.000541923 1.19988e-05 0.131182 0.0151321 0.131182 0.00378303 1.18324 0.222071 -119 2.844 0.00165173 3.52465e-05 0.210731 0.0270109 0.210731 0.00675273 1.43069 0.302693 -120 2.868 0.00480274 0.00010399 0.316055 0.0451287 0.316055 0.0112822 1.67249 0.398538 -121 2.892 0.0144277 0.000313969 0.447811 0.0712309 0.447811 0.0178077 1.89915 0.509202 -122 2.916 0.0299873 0.000757674 0.602433 0.106931 0.602433 0.0267327 2.09682 0.63342 -123 2.94 0.0584178 0.00163634 0.772834 0.153486 0.772834 0.0383715 2.26571 0.769862 -124 2.964 0.104732 0.00323743 0.957251 0.212095 0.957251 0.0530238 2.40641 0.917153 -125 2.988 0.179708 0.0060294 1.14017 0.283039 1.14017 0.0707598 2.50969 1.07326 -126 3.012 0.280239 0.0104535 1.32603 0.366878 1.32603 0.0917196 2.58686 1.23677 -127 3.036 0.408705 0.0170088 1.49887 0.463162 1.49887 0.115791 2.63263 1.40583 -128 3.06 0.573394 0.0263516 1.65725 0.571309 1.65725 0.142827 2.64697 1.57851 -129 3.084 0.761971 0.0389626 1.79795 0.690486 1.79795 0.172621 2.64672 1.75389 -130 3.108 0.968606 0.055244 1.9151 0.819411 1.9151 0.204853 2.62658 1.93066 -131 3.132 1.2022 0.0757652 2.01352 0.957064 2.01352 0.239266 2.58575 2.10738 -132 3.156 1.43795 0.100688 2.088 1.102 2.088 0.275501 2.53566 2.28334 -133 3.18 1.6774 0.130205 2.13997 1.25282 2.13997 0.313205 2.47678 2.45783 -134 3.204 1.89201 0.164003 2.17289 1.40828 2.17289 0.352069 2.40814 2.63007 -135 3.228 2.09057 0.20191 2.19196 1.56745 2.19196 0.391864 2.33849 2.79983 -136 3.252 2.27093 0.243701 2.1903 1.72889 2.1903 0.432221 2.2659 2.96678 -137 3.276 2.42073 0.288909 2.17864 1.89184 2.17864 0.472959 2.19054 3.13057 -138 3.3 2.55662 0.337357 2.15607 2.05547 2.15607 0.513868 2.11344 3.29092 -139 3.324 2.66351 0.388567 2.12292 2.21894 2.12292 0.554736 2.03693 3.44772 -140 3.348 2.7346 0.441906 2.08736 2.382 2.08736 0.595501 1.96512 3.60119 -141 3.372 2.7873 0.497056 2.04097 2.54374 2.04097 0.635934 1.89302 3.75115 -142 3.396 2.80648 0.553378 1.99215 2.70386 1.99215 0.675964 1.82226 3.89757 -143 3.42 2.81716 0.610716 1.9371 2.86176 1.9371 0.715439 1.75689 4.04074 -144 3.444 2.80913 0.668696 1.88116 3.01726 1.88116 0.754315 1.69345 4.18068 -145 3.468 2.78647 0.727013 1.83031 3.17068 1.83031 0.792669 1.63067 4.31732 -146 3.492 2.74706 0.785303 1.77329 3.32138 1.77329 0.830344 1.57253 4.45091 -147 3.516 2.69679 0.843317 1.71656 3.46927 1.71656 0.867317 1.51607 4.58149 -148 3.54 2.63481 0.900773 1.665 3.61468 1.665 0.90367 1.46399 4.70931 -149 3.564 2.58002 0.9578 1.61621 3.75775 1.61621 0.939438 1.41346 4.83439 -150 3.588 2.51217 1.01408 1.56353 3.89803 1.56353 0.974508 1.36726 4.95703 -151 3.612 2.44019 1.06948 1.51451 4.03574 1.51451 1.00893 1.32354 5.07733 -152 3.636 2.37093 1.12402 1.46584 4.1708 1.46584 1.0427 1.28283 5.19549 -153 3.66 2.29416 1.1775 1.42044 4.3034 1.42044 1.07585 1.24269 5.31147 -154 3.684 2.21708 1.22986 1.37727 4.43367 1.37727 1.10842 1.20609 5.42551 -155 3.708 2.14555 1.28119 1.33323 4.56143 1.33323 1.14036 1.17095 5.53768 -156 3.732 2.07152 1.3314 1.29673 4.68729 1.29673 1.17182 1.13677 5.64798 -157 3.756 2.01462 1.38085 1.2576 4.81094 1.2576 1.20273 1.10644 5.75673 -158 3.78 1.9323 1.4289 1.21859 4.93228 1.21859 1.23307 1.07901 5.86415 -159 3.804 1.88226 1.47629 1.18416 5.0517 1.18416 1.26293 1.05207 5.97021 -160 3.828 1.81327 1.52253 1.15403 5.16956 1.15403 1.29239 1.02535 6.07489 -161 3.852 1.75455 1.56783 1.12413 5.2858 1.12413 1.32145 1.00141 6.17841 -162 3.876 1.69639 1.61218 1.09328 5.40027 1.09328 1.35007 0.978105 6.28079 -163 3.9 1.63889 1.65556 1.06668 5.51334 1.06668 1.37834 0.956739 6.38217 -164 3.924 1.58918 1.69814 1.03952 5.62489 1.03952 1.40622 0.938049 6.48281 -165 3.948 1.53708 1.73983 1.01521 5.73517 1.01521 1.43379 0.91897 6.5826 -166 3.972 1.50191 1.78106 0.992228 5.84427 0.992228 1.46107 0.902484 6.6818 -167 3.996 1.44377 1.82118 0.971575 5.95239 0.971575 1.4881 0.886128 6.78038 -168 4.02 1.39805 1.86049 0.950733 6.05947 0.950733 1.51487 0.870963 6.87844 -169 4.044 1.36082 1.89922 0.931445 6.16563 0.931445 1.54141 0.856515 6.97603 -170 4.068 1.31669 1.93714 0.912752 6.2709 0.912752 1.56772 0.843853 7.07332 -171 4.092 1.29377 1.97483 0.892769 6.37508 0.892769 1.59377 0.832479 7.17044 -172 4.116 1.2535 2.01179 0.878455 6.4788 0.878455 1.6197 0.821422 7.26739 -173 4.14 1.22073 2.04819 0.863234 6.58191 0.863234 1.64548 0.812116 7.36437 -174 4.164 1.19077 2.08412 0.847667 6.68434 0.847667 1.67109 0.80203 7.46126 -175 4.188 1.15862 2.11948 0.835214 6.78643 0.835214 1.69661 0.791673 7.558 -176 4.212 1.13312 2.15447 0.823616 6.88827 0.823616 1.72207 0.785015 7.65503 -177 4.236 1.1061 2.189 0.810795 6.98966 0.810795 1.74741 0.777099 7.75217 -178 4.26 1.0807 2.22313 0.799657 7.0908 0.799657 1.7727 0.770209 7.84956 -179 4.284 1.05525 2.25683 0.789703 7.1918 0.789703 1.79795 0.764312 7.94728 -180 4.308 1.03897 2.29038 0.780178 7.29271 0.780178 1.82318 0.759629 8.0455 -181 4.332 1.01795 2.32363 0.773094 7.39382 0.773094 1.84845 0.753712 8.14405 -182 4.356 0.997472 2.35656 0.762422 7.49464 0.762422 1.87366 0.750008 8.2432 -183 4.38 0.979195 2.38925 0.756814 7.59583 0.756814 1.89896 0.747146 8.34306 -184 4.404 0.963515 2.42177 0.749039 7.69708 0.749039 1.92427 0.743735 8.44356 -185 4.428 0.945897 2.45404 0.742668 7.79856 0.742668 1.94964 0.740216 8.54467 -186 4.452 0.933095 2.48622 0.73742 7.90042 0.73742 1.9751 0.738393 8.64664 -187 4.476 0.917093 2.5182 0.73173 8.00259 0.73173 2.00065 0.73774 8.74961 -188 4.5 0.903293 2.55002 0.727073 8.1052 0.727073 2.0263 0.736885 8.85357 -189 4.524 0.894275 2.58187 0.723225 8.20835 0.723225 2.05209 0.735621 8.95847 -190 4.548 0.88359 2.61368 0.7192 8.31203 0.7192 2.07801 0.735546 9.06447 -191 4.572 0.872716 2.64542 0.71819 8.41665 0.71819 2.10416 0.736215 9.17168 -192 4.596 0.860742 2.67706 0.713909 8.52175 0.713909 2.13044 0.738539 9.28037 -193 4.62 0.852395 2.70872 0.712507 8.62774 0.712507 2.15693 0.739479 9.39034 -194 4.644 0.846991 2.74051 0.711357 8.73466 0.711357 2.18366 0.741438 9.50174 -195 4.668 0.838798 2.77231 0.710443 8.84255 0.710443 2.21064 0.745005 9.61484 -196 4.692 0.828634 2.80406 0.709362 8.95138 0.709362 2.23785 0.747674 9.72952 -197 4.716 0.823167 2.83591 0.711163 9.06161 0.711163 2.2654 0.751868 9.84602 -198 4.74 0.817653 2.86788 0.708975 9.17262 0.708975 2.29316 0.75545 9.96428 -199 4.764 0.807827 2.89978 0.711133 9.2851 0.711133 2.32128 0.760308 10.0845 -200 4.788 0.810665 2.93212 0.711916 9.39885 0.711916 2.34971 0.76446 10.2066 -201 4.812 0.804913 2.96456 0.715027 9.51423 0.715027 2.37856 0.76968 10.3308 -202 4.836 0.802294 2.99721 0.714904 9.63075 0.714904 2.40769 0.776528 10.4573 -203 4.86 0.79549 3.0299 0.71954 9.7492 0.71954 2.4373 0.782143 10.586 -204 4.884 0.796098 3.06295 0.720585 9.86899 0.720585 2.46725 0.789321 10.7172 -205 4.908 0.796347 3.09633 0.723709 9.99048 0.723709 2.49762 0.796653 10.8509 -206 4.932 0.794509 3.12996 0.72822 10.1139 0.72822 2.52848 0.804442 10.9872 -207 4.956 0.789862 3.16372 0.730945 10.2391 0.730945 2.55976 0.811648 11.1261 -208 4.98 0.793702 3.19797 0.737779 10.3666 0.737779 2.59164 0.819887 11.2678 -209 5.004 0.792469 3.2325 0.741603 10.496 0.741603 2.624 0.82824 11.4122 -210 5.028 0.794871 3.26747 0.74733 10.6277 0.74733 2.65691 0.839414 11.5601 -211 5.052 0.796517 3.30284 0.75347 10.7617 0.75347 2.69042 0.846816 11.7107 -212 5.076 0.795582 3.33851 0.760391 10.8982 0.760391 2.72456 0.857766 11.8647 -213 5.1 0.799765 3.37471 0.767017 11.0373 0.767017 2.75931 0.867476 12.0219 -214 5.124 0.803567 3.41142 0.775067 11.1791 0.775067 2.79477 0.877268 12.1823 -215 5.148 0.804001 3.4485 0.780588 11.3233 0.780588 2.83081 0.886865 12.3461 -216 5.172 0.806937 3.48606 0.789411 11.4704 0.789411 2.8676 0.898687 12.5136 -217 5.196 0.810993 3.52416 0.795894 11.6202 0.795894 2.90504 0.908659 12.6845 -218 5.22 0.812547 3.56269 0.806248 11.7733 0.806248 2.94332 0.919244 12.859 -219 5.244 0.823927 3.60212 0.815603 11.9296 0.815603 2.9824 0.930597 13.0373 -220 5.268 0.828322 3.64212 0.822726 12.0887 0.822726 3.02218 0.940901 13.2192 -221 5.292 0.835435 3.68283 0.834094 12.2515 0.834094 3.06288 0.952007 13.4049 -222 5.316 0.840723 3.72417 0.84143 12.4172 0.84143 3.10431 0.962694 13.5945 -223 5.34 0.844709 3.76609 0.851299 12.5864 0.851299 3.1466 0.973838 13.788 -224 5.364 0.853948 3.80884 0.863621 12.7596 0.863621 3.18989 0.985536 13.9855 -225 5.388 0.858491 3.85221 0.87298 12.9362 0.87298 3.23405 0.996696 14.1871 -226 5.412 0.869398 3.89652 0.881754 13.1162 0.881754 3.27905 1.00648 14.3925 -227 5.436 0.875482 3.94154 0.893985 13.3003 0.893985 3.32507 1.01841 14.6022 -228 5.46 0.88674 3.98754 0.904011 13.4881 0.904011 3.37203 1.0293 14.8159 -229 5.484 0.895331 4.0344 0.91416 13.6797 0.91416 3.41993 1.03913 15.0337 -230 5.508 0.905089 4.08218 0.924626 13.8752 0.924626 3.4688 1.05051 15.2557 -231 5.532 0.913086 4.1308 0.935509 14.0747 0.935509 3.51868 1.06011 15.4817 -232 5.556 0.924346 4.18046 0.947751 14.2786 0.947751 3.56966 1.07146 15.7122 -233 5.58 0.930174 4.23085 0.957565 14.4864 0.957565 3.6216 1.081 15.9467 -234 5.604 0.939698 4.28221 0.966978 14.6981 0.966978 3.67451 1.09088 16.1854 -235 5.628 0.951665 4.33466 0.978914 14.9141 0.978914 3.72854 1.09862 16.4278 -236 5.652 0.963283 4.38821 0.988916 15.1343 0.988916 3.78358 1.10911 16.6746 -237 5.676 0.97538 4.44289 0.999898 15.3588 0.999898 3.8397 1.1182 16.9256 -238 5.7 0.982999 4.49846 1.00939 15.5874 1.00939 3.89684 1.1261 17.1805 -239 5.724 0.993938 4.55513 1.02112 15.8205 1.02112 3.95513 1.13354 17.4393 -240 5.748 1.00535 4.61293 1.02952 16.0576 1.02952 4.0144 1.1412 17.702 -241 5.772 1.01728 4.67191 1.03879 16.2988 1.03879 4.0747 1.147 17.9682 -242 5.796 1.0277 4.73199 1.04861 16.5443 1.04861 4.13607 1.1537 18.2382 -243 5.82 1.03157 4.79279 1.05829 16.7941 1.05829 4.19853 1.15883 18.5117 -244 5.844 1.04852 4.8551 1.06748 17.0482 1.06748 4.26205 1.1644 18.7888 -245 5.868 1.05823 4.91851 1.07549 17.3063 1.07549 4.32657 1.17003 19.0694 -246 5.892 1.06464 4.98282 1.08388 17.5685 1.08388 4.39213 1.17209 19.3529 -247 5.916 1.07977 5.04858 1.0916 17.8348 1.0916 4.45869 1.17473 19.6394 -248 5.94 1.08832 5.1154 1.09692 18.1045 1.09692 4.52612 1.17626 19.9285 -249 5.964 1.0954 5.1832 1.10514 18.3785 1.10514 4.59461 1.17875 20.2206 -250 5.988 1.10322 5.25204 1.1111 18.6561 1.1111 4.66403 1.17854 20.5151 -251 6.012 1.11432 5.32212 1.11503 18.937 1.11503 4.73424 1.17961 20.8121 -252 6.036 1.1215 5.39322 1.12041 19.2215 1.12041 4.80536 1.17819 21.1112 -253 6.06 1.12701 5.46524 1.12527 19.5095 1.12527 4.87736 1.17671 21.4122 -254 6.084 1.1341 5.53829 1.12857 19.8006 1.12857 4.95015 1.17477 21.7152 -255 6.108 1.13995 5.6123 1.13067 20.0946 1.13067 5.02364 1.17234 22.0199 -256 6.132 1.15203 5.68768 1.13282 20.3914 1.13282 5.09786 1.16889 22.3261 -257 6.156 1.15739 5.764 1.13573 20.6914 1.13573 5.17284 1.16609 22.634 -258 6.18 1.15786 5.84095 1.13689 20.994 1.13689 5.2485 1.16136 22.943 -259 6.204 1.16677 5.9191 1.13636 21.2988 1.13636 5.3247 1.15738 23.2534 -260 6.228 1.16978 5.99805 1.13702 21.6062 1.13702 5.40154 1.15097 23.5644 -261 6.252 1.16966 6.07761 1.13656 21.9158 1.13656 5.47894 1.14617 23.8765 -262 6.276 1.17748 6.15831 1.1347 22.2273 1.1347 5.55681 1.14076 24.1896 -263 6.3 1.18064 6.23986 1.13297 22.5406 1.13297 5.63516 1.13414 24.5032 -264 6.324 1.18312 6.32219 1.13136 22.856 1.13136 5.71399 1.12859 24.8177 -265 6.348 1.18007 6.40494 1.12781 23.1727 1.12781 5.79318 1.12183 25.1326 -266 6.372 1.18354 6.48856 1.12664 23.4915 1.12664 5.87288 1.11434 25.4478 -267 6.396 1.18258 6.57275 1.12276 23.8116 1.12276 5.9529 1.10793 25.7636 -268 6.42 1.18643 6.65784 1.11758 24.1326 1.11758 6.03316 1.10071 26.0797 -269 6.444 1.18523 6.74348 1.11339 24.4548 1.11339 6.11371 1.09399 26.3962 -270 6.468 1.18523 6.82976 1.10824 24.778 1.10824 6.19449 1.08701 26.713 -271 6.492 1.17825 6.91618 1.10429 25.1023 1.10429 6.27558 1.0797 27.0301 -272 6.516 1.17508 7.00299 1.09768 25.4271 1.09768 6.35678 1.07321 27.3475 -273 6.54 1.17732 7.09062 1.09305 25.7529 1.09305 6.43823 1.06621 27.6652 -274 6.564 1.17008 7.17835 1.08768 26.0795 1.08768 6.51988 1.05855 27.983 -275 6.588 1.17069 7.26676 1.0819 26.4068 1.0819 6.6017 1.05236 28.3012 -276 6.612 1.16376 7.3553 1.07645 26.7348 1.07645 6.68369 1.0439 28.6192 -277 6.636 1.16124 7.44428 1.07106 27.0635 1.07106 6.76587 1.03729 28.9374 -278 6.66 1.15701 7.53358 1.06445 27.3925 1.06445 6.84813 1.03122 29.2561 -279 6.684 1.14956 7.62295 1.05857 27.7221 1.05857 6.93053 1.02354 29.5747 -280 6.708 1.14652 7.71272 1.05194 28.052 1.05194 7.013 1.01879 29.8941 -281 6.732 1.14255 7.80283 1.04719 28.3827 1.04719 7.09568 1.01258 30.2138 -282 6.756 1.13401 7.8929 1.04015 28.7136 1.04015 7.1784 1.00581 30.5336 -283 6.78 1.12933 7.98323 1.0333 29.0446 1.0333 7.26116 1.00002 30.8539 -284 6.804 1.12513 8.07387 1.02753 29.3762 1.02753 7.34404 0.995133 31.1749 -285 6.828 1.11657 8.16446 1.02149 29.7081 1.02149 7.42701 0.989196 31.4962 -286 6.852 1.11027 8.25516 1.01586 30.0404 1.01586 7.51011 0.983783 31.818 -287 6.876 1.10535 8.3461 1.00981 30.3732 1.00981 7.5933 0.978989 32.1404 -288 6.9 1.1006 8.43728 1.00438 30.7064 1.00438 7.67661 0.974422 32.4637 -289 6.924 1.09127 8.52832 0.999186 31.0403 0.999186 7.76007 0.970409 32.7878 -290 6.948 1.08571 8.61953 0.993255 31.3744 0.993255 7.84361 0.96537 33.1125 -291 6.972 1.07858 8.71076 0.989303 31.7096 0.989303 7.9274 0.961199 33.438 -292 6.996 1.068 8.80172 0.983985 32.0452 0.983985 8.01131 0.958064 33.7647 -293 7.02 1.06299 8.89287 0.978259 32.3812 0.978259 8.0953 0.954401 34.0924 -294 7.044 1.05829 8.98425 0.972759 32.7176 0.972759 8.1794 0.951107 34.4211 -295 7.068 1.05367 9.07584 0.968809 33.0549 0.968809 8.26372 0.948472 34.7513 -296 7.092 1.04687 9.16747 0.965792 33.3934 0.965792 8.34835 0.945118 35.0824 -297 7.116 1.04008 9.25912 0.960614 33.7324 0.960614 8.43311 0.94256 35.415 -298 7.14 1.0357 9.35099 0.956726 34.0723 0.956726 8.51808 0.940111 35.7489 -299 7.164 1.03319 9.44326 0.952808 34.4131 0.952808 8.60328 0.938671 36.0845 -300 7.188 1.02296 9.53524 0.949754 34.7551 0.949754 8.68878 0.936918 36.4218 -301 7.212 1.01781 9.62736 0.946832 35.0983 0.946832 8.77458 0.935925 36.7609 -302 7.236 1.01357 9.71971 0.943393 35.4426 0.943393 8.86065 0.934517 37.1018 -303 7.26 1.00921 9.81227 0.940423 35.788 0.940423 8.94701 0.932643 37.4443 -304 7.284 1.00295 9.90487 0.938397 36.135 0.938397 9.03375 0.931645 37.7887 -305 7.308 0.999228 9.99773 0.934459 36.4828 0.934459 9.12071 0.930798 38.135 -306 7.332 0.99357 10.0907 0.933728 36.8326 0.933728 9.20816 0.930489 38.4835 -307 7.356 0.98739 10.1836 0.930686 37.1836 0.930686 9.2959 0.93046 38.8343 -308 7.38 0.986533 10.2771 0.928543 37.5361 0.928543 9.38402 0.930368 39.1873 -309 7.404 0.979629 10.3706 0.927542 37.8904 0.927542 9.47261 0.930175 39.5426 -310 7.428 0.97907 10.4646 0.926314 38.2466 0.926314 9.56166 0.930068 39.9001 -311 7.452 0.975493 10.5589 0.925319 38.6047 0.925319 9.65118 0.930953 40.2603 -312 7.476 0.970538 10.6532 0.924035 38.9647 0.924035 9.74117 0.932054 40.6232 -313 7.5 0.969012 10.7481 0.923204 39.3266 0.923204 9.83164 0.933118 40.9889 -314 7.524 0.96601 10.8433 0.922491 39.6905 0.922491 9.92263 0.933484 41.3571 -315 7.548 0.96619 10.939 0.922234 40.0567 0.922234 10.0142 0.935691 41.7285 -316 7.572 0.959782 11.0348 0.922284 40.4252 0.922284 10.1063 0.937116 42.1028 -317 7.596 0.961616 11.1314 0.923104 40.7964 0.923104 10.1991 0.93791 42.4799 -318 7.62 0.954646 11.2278 0.922584 41.1698 0.922584 10.2924 0.940711 42.8604 -319 7.644 0.95355 11.3248 0.923607 41.5459 0.923607 10.3865 0.942507 43.2441 -320 7.668 0.954954 11.4225 0.923732 41.9244 0.923732 10.4811 0.944324 43.6309 -321 7.692 0.951178 11.5204 0.924301 42.3055 0.924301 10.5764 0.946749 44.0212 -322 7.716 0.952561 11.6191 0.924896 42.6893 0.924896 10.6723 0.947791 44.4143 -323 7.74 0.947212 11.7178 0.926739 43.0762 0.926739 10.7691 0.950066 44.8109 -324 7.764 0.949623 11.8174 0.927651 43.4659 0.927651 10.8665 0.95268 45.211 -325 7.788 0.947947 11.9175 0.928395 43.8583 0.928395 10.9646 0.955219 45.6146 -326 7.812 0.949187 12.0183 0.931251 44.2544 0.931251 11.0636 0.957697 46.0218 -327 7.836 0.948512 12.1196 0.932651 44.6535 0.932651 11.1634 0.961352 46.4331 -328 7.86 0.948653 12.2216 0.93423 45.0558 0.93423 11.2639 0.963813 46.8479 -329 7.884 0.951414 12.3245 0.936768 45.4616 0.936768 11.3654 0.965907 47.2662 -330 7.908 0.949702 12.4279 0.93838 45.8705 0.93838 11.4676 0.969489 47.6886 -331 7.932 0.949339 12.5318 0.941039 46.2832 0.941039 11.5708 0.972341 48.1148 -332 7.956 0.951093 12.6366 0.9433 46.6993 0.9433 11.6748 0.975114 48.5449 -333 7.98 0.953333 12.7422 0.945917 47.1191 0.945917 11.7798 0.977867 48.9787 -334 8.004 0.953239 12.8485 0.947824 47.5423 0.947824 11.8856 0.980873 49.4165 -335 8.028 0.95446 12.9555 0.950058 47.969 0.950058 11.9922 0.984022 49.8583 -336 8.052 0.95514 13.0633 0.95344 48.3998 0.95344 12.0999 0.98697 50.3042 -337 8.076 0.95878 13.1721 0.955703 48.8342 0.955703 12.2086 0.990093 50.7541 -338 8.1 0.959395 13.2816 0.958874 49.2726 0.958874 12.3182 0.993305 51.2081 -339 8.124 0.962561 13.3922 0.961006 49.7147 0.961006 12.4287 0.996631 51.6664 -340 8.148 0.964638 13.5036 0.963372 50.1604 0.963372 12.5401 0.999414 52.1286 -341 8.172 0.963988 13.6156 0.966896 50.6104 0.966896 12.6526 1.00174 52.5947 -342 8.196 0.967944 13.7288 0.970499 51.0648 0.970499 12.7662 1.00402 53.0646 -343 8.22 0.969782 13.8428 0.972437 51.5227 0.972437 12.8807 1.0078 53.539 -344 8.244 0.966725 13.9571 0.976044 51.985 0.976044 12.9962 1.00942 54.017 -345 8.268 0.970304 14.0726 0.979438 52.4516 0.979438 13.1129 1.01231 54.4991 -346 8.292 0.978457 14.1896 0.982087 52.9222 0.982087 13.2305 1.01464 54.9852 -347 8.316 0.977076 14.3072 0.984384 53.3966 0.984384 13.3492 1.01712 55.4752 -348 8.34 0.979691 14.4258 0.987287 53.8752 0.987287 13.4688 1.01967 55.9694 -349 8.364 0.98426 14.5456 0.989482 54.3576 0.989482 13.5894 1.02109 56.467 -350 8.388 0.987433 14.6665 0.993466 54.8448 0.993466 13.7112 1.02398 56.969 -351 8.412 0.987357 14.7881 0.995051 55.3355 0.995051 13.8339 1.02573 57.4747 -352 8.436 0.992218 14.9109 0.998132 55.8305 0.998132 13.9576 1.02744 57.9841 -353 8.46 0.99398 15.0347 1.00074 56.3297 1.00074 14.0824 1.02964 58.4975 -354 8.484 0.996364 15.1595 1.00401 56.8333 1.00401 14.2083 1.03089 59.0145 -355 8.508 0.998186 15.2853 1.0058 57.3407 1.0058 14.3352 1.03261 59.5352 -356 8.532 1.00005 15.4119 1.00705 57.8516 1.00705 14.4629 1.03399 60.0596 -357 8.556 1.00232 15.5396 1.01008 58.367 1.01008 14.5917 1.03491 60.5874 -358 8.58 1.0083 15.6688 1.01201 58.8862 1.01201 14.7215 1.03677 61.1192 -359 8.604 1.00686 15.7985 1.01496 59.4098 1.01496 14.8525 1.03697 61.654 -360 8.628 1.00918 15.9292 1.01622 59.937 1.01622 14.9843 1.03835 62.1926 -361 8.652 1.01276 16.0611 1.01799 60.4681 1.01799 15.117 1.03931 62.7346 -362 8.676 1.01312 16.1939 1.01965 61.003 1.01965 15.2508 1.04013 63.2801 -363 8.7 1.01653 16.3277 1.02252 61.5424 1.02252 15.3856 1.04075 63.8289 -364 8.724 1.02078 16.4629 1.0235 62.0853 1.0235 15.5213 1.0406 64.3807 -365 8.748 1.02216 16.599 1.02495 62.6319 1.02495 15.658 1.04125 64.9358 -366 8.772 1.02388 16.7361 1.02518 63.1817 1.02518 15.7954 1.04132 65.4941 -367 8.796 1.02537 16.8742 1.02643 63.7351 1.02643 15.9338 1.04141 66.0554 -368 8.82 1.02723 17.0132 1.02779 64.2924 1.02779 16.0731 1.04135 66.6198 -369 8.844 1.02799 17.1532 1.02882 64.8532 1.02882 16.2133 1.04106 67.1871 -370 8.868 1.02931 17.294 1.02892 65.4171 1.02892 16.3543 1.0412 67.7576 -371 8.892 1.03153 17.4359 1.03052 65.9849 1.03052 16.4962 1.04066 68.3309 -372 8.916 1.03099 17.5786 1.03093 66.5561 1.03093 16.639 1.04019 68.907 -373 8.94 1.03381 17.7223 1.03195 67.1309 1.03195 16.7827 1.04003 69.4861 -374 8.964 1.03593 17.8672 1.03171 67.7086 1.03171 16.9272 1.03859 70.0675 -375 8.988 1.03862 18.0132 1.03179 68.2895 1.03179 17.0724 1.03768 70.6515 -376 9.012 1.03826 18.1599 1.03165 68.8735 1.03165 17.2184 1.03673 71.2382 -377 9.036 1.03774 18.3074 1.03184 69.4606 1.03184 17.3652 1.03612 71.8276 -378 9.06 1.03999 18.4559 1.03269 70.0514 1.03269 17.5128 1.03442 72.4191 -379 9.084 1.03762 18.6049 1.03264 70.6452 1.03264 17.6613 1.03434 73.0138 -380 9.108 1.03469 18.7543 1.03129 71.2415 1.03129 17.8104 1.032 73.6102 -381 9.132 1.03933 18.9051 1.03118 71.8408 1.03118 17.9602 1.03171 74.2096 -382 9.156 1.04093 19.0569 1.0309 72.4431 1.0309 18.1108 1.02955 74.811 -383 9.18 1.04215 19.2098 1.02965 73.0478 1.02965 18.2619 1.0279 75.4145 -384 9.204 1.04056 19.3632 1.02944 73.6556 1.02944 18.4139 1.02672 76.0204 -385 9.228 1.03853 19.517 1.02893 74.2662 1.02893 18.5665 1.02581 76.629 -386 9.252 1.04103 19.6721 1.0283 74.8796 1.0283 18.7199 1.02388 77.2397 -387 9.276 1.03974 19.8278 1.02729 75.4957 1.02729 18.8739 1.02242 77.8526 -388 9.3 1.0416 19.9846 1.0259 76.114 1.0259 19.0285 1.02081 78.4677 -389 9.324 1.04116 20.1421 1.02475 76.7349 1.02475 19.1837 1.01916 79.085 -390 9.348 1.0383 20.2999 1.0249 77.3591 1.0249 19.3398 1.01781 79.7046 -391 9.372 1.04043 20.459 1.02326 77.9855 1.02326 19.4964 1.01672 80.3268 -392 9.396 1.03939 20.6186 1.02194 78.6142 1.02194 19.6536 1.01501 80.9511 -393 9.42 1.03756 20.7789 1.02036 79.2452 1.02036 19.8113 1.01301 81.5774 -394 9.444 1.03596 20.9396 1.01897 79.8786 1.01897 19.9697 1.01065 82.2054 -395 9.468 1.03544 21.1012 1.0182 80.5147 1.0182 20.1287 1.01009 82.8363 -396 9.492 1.03474 21.2634 1.0169 81.1532 1.0169 20.2883 1.0083 83.4692 -397 9.516 1.03447 21.4264 1.01595 81.7944 1.01595 20.4486 1.00649 84.1042 -398 9.54 1.03339 21.5901 1.01324 82.4371 1.01324 20.6093 1.00501 84.7414 -399 9.564 1.03347 21.7545 1.0124 83.0825 1.0124 20.7706 1.0033 85.3808 -400 9.588 1.03042 21.9194 1.01106 83.7302 1.01106 20.9326 1.00171 86.0224 -401 9.612 1.02877 22.0848 1.00982 84.3804 1.00982 21.0951 1.00043 86.6663 -402 9.636 1.02726 22.2508 1.00888 85.0333 1.00888 21.2583 0.999112 87.3127 -403 9.66 1.02629 22.4174 1.00649 85.6878 1.00649 21.422 0.998114 87.9616 -404 9.684 1.02238 22.5843 1.00451 86.3444 1.00451 21.5861 0.996034 88.6124 -405 9.708 1.02447 22.7523 1.00352 87.0035 1.00352 21.7509 0.994684 89.2655 -406 9.732 1.02289 22.9208 1.00195 87.6648 1.00195 21.9162 0.993414 89.921 -407 9.756 1.02162 23.09 1.00109 88.3289 1.00109 22.0822 0.99212 90.5789 -408 9.78 1.01984 23.2598 0.999677 88.9953 0.999677 22.2488 0.991286 91.2395 -409 9.804 1.01611 23.4297 0.998926 89.6644 0.998926 22.4161 0.990551 91.9028 -410 9.828 1.01575 23.6005 0.996115 90.3349 0.996115 22.5837 0.989107 92.5684 -411 9.852 1.01615 23.7721 0.996209 91.0088 0.996209 22.7522 0.9881 93.2366 -412 9.876 1.01282 23.944 0.994609 91.6849 0.994609 22.9212 0.987649 93.9077 -413 9.9 1.01299 24.1168 0.992918 92.3631 0.992918 23.0908 0.98632 94.5812 -414 9.924 1.00932 24.2897 0.992171 93.0441 0.992171 23.261 0.986159 95.2579 -415 9.948 1.00985 24.4636 0.990785 93.7274 0.990785 23.4319 0.984656 95.9368 -416 9.972 1.00965 24.6383 0.989987 94.4135 0.989987 23.6034 0.983961 96.6185 -417 9.996 1.00664 24.8134 0.988814 95.1021 0.988814 23.7755 0.983254 97.303 -418 10.02 1.00462 24.9889 0.986946 95.7927 0.986946 23.9482 0.983428 97.9909 -419 10.044 1.00365 25.1651 0.987034 96.4866 0.987034 24.1217 0.982911 98.6817 -420 10.068 1.00236 25.3419 0.986095 97.1832 0.986095 24.2958 0.982569 99.3756 -421 10.092 1.0024 25.5195 0.98589 97.883 0.98589 24.4708 0.98258 100.073 -422 10.116 0.998103 25.6973 0.983941 98.5848 0.983941 24.6462 0.981896 100.773 -423 10.14 0.998494 25.8759 0.983267 99.2893 0.983267 24.8223 0.981167 101.476 -424 10.164 0.997024 26.0551 0.983016 99.9971 0.983016 24.9993 0.981786 102.182 -425 10.188 0.995594 26.235 0.982308 100.708 0.982308 25.1769 0.981123 102.892 -426 10.212 0.992518 26.4151 0.982312 101.422 0.982312 25.3554 0.981401 103.605 -427 10.236 0.991752 26.5959 0.981857 102.139 0.981857 25.5346 0.981333 104.321 -428 10.26 0.99168 26.7776 0.981423 102.859 0.981423 25.7146 0.981751 105.041 -429 10.284 0.991636 26.9601 0.980595 103.581 0.980595 25.8953 0.981422 105.764 -430 10.308 0.992225 27.1435 0.981099 104.308 0.981099 26.077 0.981631 106.491 -431 10.332 0.990642 27.3275 0.98063 105.037 0.98063 26.2593 0.981905 107.221 -432 10.356 0.989411 27.5122 0.981084 105.771 0.981084 26.4427 0.982044 107.955 -433 10.38 0.990282 27.6978 0.980268 106.507 0.980268 26.6267 0.982527 108.693 -434 10.404 0.987439 27.8838 0.979624 107.246 0.979624 26.8114 0.983023 109.434 -435 10.428 0.987513 28.0707 0.979671 107.988 0.979671 26.997 0.983064 110.179 -436 10.452 0.98836 28.2586 0.980219 108.734 0.980219 27.1836 0.984356 110.928 -437 10.476 0.987858 28.4472 0.979965 109.484 0.979965 27.371 0.984572 111.681 -438 10.5 0.986379 28.6365 0.981102 110.238 0.981102 27.5595 0.984914 112.437 -439 10.524 0.984937 28.8263 0.980693 110.995 0.980693 27.7487 0.985627 113.198 -440 10.548 0.984565 29.0169 0.981459 111.756 0.981459 27.9389 0.986163 113.962 -441 10.572 0.985326 29.2085 0.98133 112.52 0.98133 28.13 0.98676 114.731 -442 10.596 0.98357 29.4007 0.981989 113.289 0.981989 28.3221 0.987526 115.503 -443 10.62 0.986681 29.5944 0.982122 114.061 0.982122 28.5151 0.987987 116.279 -444 10.644 0.985418 29.7886 0.982899 114.837 0.982899 28.7091 0.988892 117.06 -445 10.668 0.984368 29.9836 0.983682 115.617 0.983682 28.9042 0.98957 117.845 -446 10.692 0.983505 30.1792 0.984041 116.401 0.984041 29.1002 0.990314 118.633 -447 10.716 0.984284 30.3759 0.984953 117.189 0.984953 29.2973 0.991384 119.427 -448 10.74 0.984048 30.5734 0.98531 117.981 0.98531 29.4953 0.991948 120.224 -449 10.764 0.986018 30.7722 0.985476 118.777 0.985476 29.6942 0.992907 121.025 -450 10.788 0.983893 30.9715 0.986069 119.577 0.986069 29.8942 0.993692 121.831 -451 10.812 0.984926 31.1718 0.986301 120.38 0.986301 30.095 0.994905 122.641 -452 10.836 0.984702 31.373 0.987302 121.188 0.987302 30.297 0.995083 123.455 -453 10.86 0.985549 31.5753 0.987885 122 0.987885 30.5 0.995622 124.273 -454 10.884 0.984627 31.7782 0.988457 122.816 0.988457 30.704 0.996811 125.096 -455 10.908 0.983509 31.9819 0.989415 123.637 0.989415 30.9091 0.998291 125.924 -456 10.932 0.985186 32.1868 0.989678 124.461 0.989678 31.1152 0.9985 126.755 -457 10.956 0.987368 32.393 0.99132 125.29 0.99132 31.3225 0.99932 127.591 -458 10.98 0.987502 32.6002 0.992046 126.124 0.992046 31.5309 0.999835 128.43 -459 11.004 0.987083 32.8082 0.99198 126.961 0.99198 31.7402 1.00096 129.275 -460 11.028 0.989794 33.0176 0.993337 127.803 0.993337 31.9507 1.00135 130.123 -461 11.052 0.988868 33.2278 0.993697 128.649 0.993697 32.1622 1.00212 130.976 -462 11.076 0.989149 33.439 0.995002 129.499 0.995002 32.3748 1.00287 131.833 -463 11.1 0.990847 33.6514 0.995875 130.354 0.995875 32.5886 1.00339 132.695 -464 11.124 0.988761 33.8643 0.996797 131.214 0.996797 32.8035 1.00431 133.56 -465 11.148 0.990078 34.0784 0.99698 132.078 0.99698 33.0194 1.00469 134.43 -466 11.172 0.993495 34.2942 0.997641 132.945 0.997641 33.2363 1.00544 135.305 -467 11.196 0.991391 34.5104 0.999367 133.818 0.999367 33.4546 1.00569 136.183 -468 11.22 0.993493 34.7281 0.999691 134.695 0.999691 33.6739 1.00648 137.066 -469 11.244 0.994647 34.9469 1.00034 135.577 1.00034 33.8942 1.00723 137.953 -470 11.268 0.995915 35.1669 1.00088 136.463 1.00088 34.1156 1.00774 138.844 -471 11.292 0.995054 35.3877 1.0021 137.353 1.0021 34.3383 1.00836 139.74 -472 11.316 0.996918 35.6099 1.00264 138.248 1.00264 34.5619 1.00818 140.64 -473 11.34 0.998 35.8332 1.00322 139.147 1.00322 34.7867 1.00939 141.544 -474 11.364 0.99881 36.0576 1.00483 140.051 1.00483 35.0128 1.00969 142.452 -475 11.388 0.997108 36.2827 1.00486 140.959 1.00486 35.2399 1.01 143.365 -476 11.412 1.00056 36.5094 1.00566 141.872 1.00566 35.4681 1.00998 144.281 -477 11.436 1.00097 36.7372 1.0057 142.789 1.0057 35.6972 1.01005 145.202 -478 11.46 1.00171 36.9661 1.00655 143.71 1.00655 35.9275 1.01066 146.126 -479 11.484 1.00096 37.1958 1.00689 144.636 1.00689 36.1589 1.01041 147.055 -480 11.508 1.00265 37.4269 1.00744 145.565 1.00744 36.3913 1.01083 147.987 -481 11.532 1.0023 37.6588 1.00762 146.499 1.00762 36.6248 1.01097 148.924 -482 11.556 1.00209 37.8917 1.00876 147.438 1.00876 36.8595 1.0111 149.865 -483 11.58 1.00452 38.1261 1.00889 148.381 1.00889 37.0952 1.01112 150.809 -484 11.604 1.00416 38.3614 1.00904 149.328 1.00904 37.332 1.01071 151.758 -485 11.628 1.00604 38.5981 1.00921 150.279 1.00921 37.5697 1.0107 152.71 -486 11.652 1.00424 38.8354 1.00982 151.234 1.00982 37.8086 1.01049 153.666 -487 11.676 1.00728 39.0743 1.00963 152.194 1.00963 38.0484 1.01094 154.626 -488 11.7 1.0052 39.3138 1.01001 153.157 1.01001 38.2893 1.01065 155.59 -489 11.724 1.0068 39.5546 1.01046 154.125 1.01046 38.5313 1.01011 156.557 -490 11.748 1.00562 39.7961 1.01006 155.097 1.01006 38.7742 1.01018 157.528 -491 11.772 1.00833 40.0392 1.00997 156.072 1.00997 39.018 1.01054 158.504 -492 11.796 1.00666 40.283 1.0103 157.052 1.0103 39.263 1.00971 159.483 -493 11.82 1.00934 40.5284 1.01066 158.036 1.01066 39.509 1.00968 160.466 -494 11.844 1.0061 40.774 1.01014 159.023 1.01014 39.7559 1.00967 161.452 -495 11.868 1.00746 41.0209 1.00959 160.014 1.00959 40.0036 1.00883 162.442 -496 11.892 1.00699 41.2687 1.00989 161.01 1.00989 40.2524 1.00899 163.436 -497 11.916 1.01009 41.5183 1.01107 162.01 1.01107 40.5026 1.00798 164.434 -498 11.94 1.00779 41.7683 1.00953 163.013 1.00953 40.7533 1.00795 165.435 -499 11.964 1.00921 42.0196 1.01035 164.021 1.01035 41.0053 1.00767 166.44 -500 11.988 1.00806 42.2717 1.01083 165.034 1.01083 41.2584 1.00763 167.449 diff --git a/examples/saftvrqmie/deuterium_neon_32K.table b/examples/saftvrqmie/deuterium_neon_32K.table deleted file mode 100644 index 582674aaf..000000000 --- a/examples/saftvrqmie/deuterium_neon_32K.table +++ /dev/null @@ -1,5005 +0,0 @@ -# DATE: YYYY-MM-DD UNITS: real CONTRIBUTOR: YOUR NAME -# FH1 potential for deuterium_neon at T = 32 K -FH1_deuterium_neon -N 5000 - -1 0.10000000 20950069306598318080.00000000 2919637495029983870976.00000000 -2 0.10238048 15093833542771218432.00000000 2054536065408920453120.00000000 -3 0.10476095 10956969962859886592.00000000 1457504824476619767808.00000000 -4 0.10714143 8011448258019384320.00000000 1041981232373371240448.00000000 -5 0.10952190 5898258014941324288.00000000 750440260245341601792.00000000 -6 0.11190238 4371193886900345856.00000000 544303166316942589952.00000000 -7 0.11428286 3260013973604702208.00000000 397470573080363401216.00000000 -8 0.11666333 2446070166311136768.00000000 292137528761842204672.00000000 -9 0.11904381 1846044807187032064.00000000 216059903320750686208.00000000 -10 0.12142428 1401004631715858432.00000000 160752755356300279808.00000000 -11 0.12380476 1068973293201042432.00000000 120292706510841380864.00000000 -12 0.12618524 819851903983662336.00000000 90515248886408134656.00000000 -13 0.12856571 631919164224211584.00000000 68472482809339092992.00000000 -14 0.13094619 489402411529544384.00000000 52063996352418127872.00000000 -15 0.13332667 380780167163395200.00000000 39783760775784898560.00000000 -16 0.13570714 297587934834768832.00000000 30545352718273220608.00000000 -17 0.13808762 233572627950291008.00000000 23560443338106925056.00000000 -18 0.14046809 184090124036886976.00000000 18253766697324367872.00000000 -19 0.14284857 145673464546485248.00000000 14203239733251438592.00000000 -20 0.14522905 115721571578141568.00000000 11097536977027397632.00000000 -21 0.14760952 92273589691017856.00000000 8705854963328626688.00000000 -22 0.14999000 73844415610065248.00000000 6856241301365706752.00000000 -23 0.15237047 59304198052079240.00000000 5419976848517834752.00000000 -24 0.15475095 47789606141436216.00000000 4300260301952064000.00000000 -25 0.15713143 38638171173888720.00000000 3423967713614467072.00000000 -26 0.15951190 31339471541092652.00000000 2735621369606733312.00000000 -27 0.16189238 25498673377597760.00000000 2192954326548089344.00000000 -28 0.16427285 20809178279026736.00000000 1763633143743757312.00000000 -29 0.16665333 17032014635739218.00000000 1422825366837508096.00000000 -30 0.16903381 13980244886477270.00000000 1151386049988581248.00000000 -31 0.17141428 11507119869773706.00000000 934499987586401536.00000000 -32 0.17379476 9497044244014326.00000000 760660909489067904.00000000 -33 0.17617524 7858659427916109.00000000 620900910690884864.00000000 -34 0.17855571 6519527991144472.00000000 508206488031168512.00000000 -35 0.18093619 5422033897509921.00000000 417074302306190464.00000000 -36 0.18331666 4520209330678708.00000000 343171977006128192.00000000 -37 0.18569714 3777270246631679.00000000 283078161385828224.00000000 -38 0.18807762 3163695955963501.50000000 234082633720151136.00000000 -39 0.19045809 2655727765109766.00000000 194032049286354144.00000000 -40 0.19283857 2234191507053224.00000000 161210512655523808.00000000 -41 0.19521904 1883571231957291.50000000 134246811091884352.00000000 -42 0.19759952 1591278286498935.50000000 112042128409677680.00000000 -43 0.19998000 1347072871944763.75000000 93713543311432080.00000000 -44 0.20236047 1142604958817172.75000000 78549732084551280.00000000 -45 0.20474095 971048909942044.75000000 65976137147866184.00000000 -46 0.20712142 826811889548176.12500000 55527499900460232.00000000 -47 0.20950190 705300536847776.75000000 46826140017107888.00000000 -48 0.21188238 602733775443795.12500000 39564731843249912.00000000 -49 0.21426285 515992253806147.56250000 33492610195874980.00000000 -50 0.21664333 442496947307500.62500000 28404853819692788.00000000 -51 0.21902380 380111035581162.81250000 24133560816969728.00000000 -52 0.22140428 327060404149098.37500000 20540858464701188.00000000 -53 0.22378476 281869085584939.68750000 17513288926022110.00000000 -54 0.22616523 243306713514548.06250000 14957289239110746.00000000 -55 0.22854571 210345658994995.28125000 12795543773888032.00000000 -56 0.23092619 182125989011779.12500000 10964034001626982.00000000 -57 0.23330666 157926758584792.12500000 9409646914746788.00000000 -58 0.23568714 137142442623733.68750000 8088232051919817.00000000 -59 0.23806761 119263547785616.60937500 6963019583752258.00000000 -60 0.24044809 103860631044733.37500000 6003329648861661.00000000 -61 0.24282857 90571100537753.95312500 5183517142844011.00000000 -62 0.24520904 79088293351203.56250000 4482107261129254.00000000 -63 0.24758952 69152420435185.00781250 3881085907830221.50000000 -64 0.24996999 60543045596468.27343750 3365316093981862.50000000 -65 0.25235047 53072827359156.42187500 2922057040317535.00000000 -66 0.25473095 46582302392925.42187500 2540567169240428.50000000 -67 0.25711142 40935529580279.92187500 2211775750924223.50000000 -68 0.25949190 36016446515581.65625000 1928010842556686.25000000 -69 0.26187237 31725816802557.76171875 1682773471748901.00000000 -70 0.26425285 27978668140870.32812500 1470549878812628.25000000 -71 0.26663333 24702138822131.33593750 1286655137924357.75000000 -72 0.26901380 21833664656402.09375000 1127102695461593.25000000 -73 0.27139428 19319450135038.83593750 988495351667271.12500000 -74 0.27377475 17113177297473.80664062 867934014371285.00000000 -75 0.27615523 15174913704831.47851562 762941206751862.75000000 -76 0.27853571 13470187452120.00976562 671396843812721.12500000 -77 0.28091618 11969202531673.39648438 591484227419138.12500000 -78 0.28329666 10646172302904.80664062 521644565863487.81250000 -79 0.28567714 9478752497086.38867188 460538615882761.75000000 -80 0.28805761 8447558228800.46484375 407014284802053.37500000 -81 0.29043809 7535752010259.06152344 360079227693833.37500000 -82 0.29281856 6728691862490.64550781 318877636938415.25000000 -83 0.29519904 6013630363296.88085938 282670555676804.50000000 -84 0.29757952 5379456927142.35644531 250819157500394.90625000 -85 0.29995999 4816476826967.76171875 222770526498766.59375000 -86 0.30234047 4316221483538.10937500 198045547887690.90625000 -87 0.30472094 3871285398254.97705078 176228582638044.62500000 -88 0.30710142 3475185818301.87939453 156958652088843.00000000 -89 0.30948190 3122241821591.55371094 139921902308483.75000000 -90 0.31186237 2807470012281.12207031 124845154487748.32812500 -91 0.31424285 2526494441365.03808594 111490378153930.85937500 -92 0.31662332 2275468724102.16552734 99649949513831.50000000 -93 0.31900380 2051008627616.38647461 89142578609215.29687500 -94 0.32138428 1850133656934.80102539 79809806898594.95312500 -95 0.32376475 1670216383489.44873047 71512991939447.29687500 -96 0.32614523 1508938442954.43066406 64130708511317.28906250 -97 0.32852571 1364252284435.85668945 57556506187146.92187500 -98 0.33090618 1234347884834.41040039 51696972354700.11718750 -99 0.33328666 1117623754307.59326172 46470057283944.33593750 -100 0.33566713 1012661654227.41162109 41803624255756.42968750 -101 0.33804761 918204530424.38269043 37634193200651.70312500 -102 0.34042809 833137233985.08374023 33905850900452.32421875 -103 0.34280856 756469661241.11413574 30569304712087.47656250 -104 0.34518904 687321995379.15795898 27581060090749.83203125 -105 0.34756951 624911775602.73767090 24902705011272.39062500 -106 0.34994999 568542557073.30944824 22500286788833.24218750 -107 0.35233047 517593956871.00274658 20343768847593.71484375 -108 0.35471094 471512908721.32788086 18406556732947.26562500 -109 0.35709142 429805972892.86907959 16665084155420.00781250 -110 0.35947189 392032568041.33923340 15098451130425.54296875 -111 0.36185237 357799009332.60662842 13688107370531.28515625 -112 0.36423285 326753252324.82513428 12417575023058.84570312 -113 0.36661332 298580255171.56579590 11272205648917.90429688 -114 0.36899380 272997883016.41619873 10238967028178.87695312 -115 0.37137427 249753288234.89682007 9306255970663.80273438 -116 0.37375475 228619708654.82589722 8463733819875.77929688 -117 0.37613523 209393633233.78512573 7702181777875.65820312 -118 0.37851570 191892291048.16259766 7013373557435.19433594 -119 0.38089618 175951424985.84097290 6389963194608.52832031 -120 0.38327666 161423316348.60870361 5825386137153.56640625 -121 0.38565713 148175030759.01184082 5313771968291.96093750 -122 0.38803761 136086859414.16580200 4849867336496.84863281 -123 0.39041808 125050932908.55923462 4428967844928.88769531 -124 0.39279856 114969987621.60398865 4046857812730.01904297 -125 0.39517904 105756267087.51995850 3699756957993.97998047 -126 0.39755951 97330542881.43429565 3384273171740.53027344 -127 0.39993999 89621241406.46704102 3097360656099.82470703 -128 0.40232046 82563664586.62197876 2836282790283.73291016 -129 0.40470094 76099293889.49812317 2598579166607.28662109 -130 0.40708142 70175168347.02687073 2382036307391.99072266 -131 0.40946189 64743328334.10573578 2184661633385.21215820 -132 0.41184237 59760317823.55150604 2004660306528.26733398 -133 0.41422284 55186738678.15093994 1840414615505.02392578 -134 0.41660332 50986851281.36649323 1690465612367.97802734 -135 0.41898380 47128216460.20473480 1553496743418.43896484 -136 0.42136427 43581374227.97054291 1428319248059.56811523 -137 0.42374475 40319555380.72726440 1313859126104.67846680 -138 0.42612523 37318422427.68910217 1209145497494.38574219 -139 0.42850570 34555836729.79200745 1113300198974.86694336 -140 0.43088618 32011649068.73520279 1025528480381.20178223 -141 0.43326665 29667511176.42655945 945110679070.88317871 -142 0.43564713 27506706026.87955856 871394765038.55847168 -143 0.43802761 25513994933.47891998 803789661553.71948242 -144 0.44040808 23675479707.87178802 741759257006.32897949 -145 0.44278856 21978478325.83975601 684817033203.27587891 -146 0.44516903 20411412713.21748352 632521243788.94836426 -147 0.44754951 18963707413.77521896 584470583904.60546875 -148 0.44992999 17625698033.17243195 540300298773.80963135 -149 0.45231046 16388548470.56143761 499678684710.36505127 -150 0.45469094 15244176053.88225555 462303941183.24548340 -151 0.45707141 14185183787.83600426 427901337120.15380859 -152 0.45945189 13204799006.28079796 396220658658.45544434 -153 0.46183237 12296817794.51817322 367033909120.83483887 -154 0.46421284 11455554612.66199493 340133235157.54284668 -155 0.46659332 10675796609.90354729 315329055804.95336914 -156 0.46897379 9952762171.80661964 292448373703.05499268 -157 0.47135427 9282063289.49206734 271333249929.31195068 -158 0.47373475 8659671381.32145119 251839425875.08065796 -159 0.47611522 8081886235.01870346 233835077342.02593994 -160 0.47849570 7545307771.56154251 217199687594.54971313 -161 0.48087618 7046810362.06596565 201823027492.31277466 -162 0.48325665 6583519455.65651417 187604232063.72021484 -163 0.48563713 6152790300.30422306 174450963984.00799561 -164 0.48801760 5752188560.12141228 162278655405.29580688 -165 0.49039808 5379472651.89748955 151009820464.10299683 -166 0.49277856 5032577640.97792625 140573431576.07745361 -167 0.49515903 4709600552.14033890 130904353328.48979187 -168 0.49753951 4408786965.09645557 121942828407.67439270 -169 0.49991998 4128518776.81081009 113634010559.14916992 -170 0.50230046 3867303024.12702131 105927540079.90705872 -171 0.50468094 3623761670.36074877 98777157791.71134949 -172 0.50706141 3396622268.67450380 92140353846.87464905 -173 0.50944189 3184709423.29728270 85978048078.97137451 -174 0.51182236 2986936977.08520174 80254298934.70785522 -175 0.51420284 2802300860.62288189 74936038313.76629639 -176 0.51658332 2629872544.11236000 69992829904.34153748 -177 0.51896379 2468793038.75495863 65396648836.49324036 -178 0.52134427 2318267399.26046658 61121680686.10354614 -179 0.52372474 2177559683.57160807 57144138051.69252777 -180 0.52610522 2045988329.91723394 53442093096.79598999 -181 0.52848570 1922921914.94774795 49995324604.03704071 -182 0.53086617 1807775260.00013971 46785178225.21048737 -183 0.53324665 1700005855.52095771 43794438736.19393921 -184 0.53562713 1599110576.37546873 41007213217.73660278 -185 0.53800760 1504622663.21688294 38408824184.38864899 -186 0.54038808 1416108947.30664229 35985711775.16728210 -187 0.54276855 1333167298.18698192 33725344201.99732590 -188 0.54514903 1255424275.43057227 31616135726.41749573 -189 0.54752951 1182532967.34735012 29647371502.32116318 -190 0.54990998 1114171001.03135157 27809138683.30899811 -191 0.55229046 1050038709.49560106 26092263248.22812271 -192 0.55467093 989857442.88351417 24488252048.22570038 -193 0.55705141 933368011.87322974 22989239623.68477249 -194 0.55943189 880329252.41695440 21587939380.19046783 -195 0.56181236 830516701.89078987 20277598749.62246323 -196 0.56419284 783721377.58001184 19051957995.95278168 -197 0.56657331 739748649.19846010 17905212355.69031906 -198 0.56895379 698417197.84548044 16831977230.45352364 -199 0.57133427 659558054.44609547 15827256174.14236259 -200 0.57371474 623013711.30576777 14886411439.87115288 -201 0.57609522 588637300.94516313 14005136872.42761993 -202 0.57847570 556291836.86771595 13179432950.74712753 -203 0.58085617 525849511.35757524 12405583801.90643692 -204 0.58323665 497191045.81175196 11680136023.61671638 -205 0.58561712 470205089.48132879 10999879166.27142525 -206 0.58799760 444787662.83563524 10361827738.41362762 -207 0.59037808 420841642.07330209 9763204611.15020370 -208 0.59275855 398276281.58754331 9201425707.66037178 -209 0.59513903 377006771.45237345 8674085873.62326431 -210 0.59751950 356953827.23375309 8178945833.20772839 -211 0.59989998 338043309.64697009 7713920143.30984116 -212 0.60228046 320205871.78054047 7277066066.05813217 -213 0.60466093 303376631.78919768 6866573286.29866886 -214 0.60704141 287494869.12563956 6480754406.88168526 -215 0.60942188 272503742.53387684 6118036160.14975739 -216 0.61180236 258350028.16748837 5776951279.12249851 -217 0.61418284 244983876.32499871 5456130976.52975368 -218 0.61656331 232358585.41285136 5154297984.10106754 -219 0.61894379 220430391.85506460 4870260108.41189957 -220 0.62132426 209158274.76835650 4602904263.14690399 -221 0.62370474 198503774.31316245 4351190940.89917755 -222 0.62608522 188430822.71515617 4114149090.60669184 -223 0.62846569 178905587.02927217 3890871369.45789766 -224 0.63084617 169896322.78941619 3680509740.60063457 -225 0.63322665 161373237.75250757 3482271390.28053284 -226 0.63560712 153308365.00575507 3295414940.13671827 -227 0.63798760 145675444.76150599 3119246932.30909204 -228 0.64036807 138449814.21507913 2953118566.77907848 -229 0.64274855 131608304.88802032 2796422671.98737240 -230 0.64512903 125129146.92253697 2648590891.26039362 -231 0.64750950 118991879.83281457 2509091068.94407082 -232 0.64988998 113177269.25572151 2377424821.39846754 -233 0.65227045 107667229.27736758 2253125279.16014147 -234 0.65465093 102444749.94328915 2135754987.63860607 -235 0.65703141 97493829.58893819 2024903954.68778181 -236 0.65941188 92799411.65382721 1920187834.28918266 -237 0.66179236 88347325.66730064 1821246236.40760422 -238 0.66417283 84124232.11665818 1727741153.83865023 -239 0.66655331 80117570.92935978 1639355497.56528878 -240 0.66893379 76315513.32046656 1555791732.78348088 -241 0.67131426 72706916.77441297 1476770608.34868050 -242 0.67369474 69281282.94680794 1402029972.94047570 -243 0.67607522 66028718.28731105 1331323671.74515676 -244 0.67845569 62939897.19882629 1264420517.91918349 -245 0.68083617 60006027.56140316 1201103333.52379274 -246 0.68321664 57218818.46139497 1141168055.01493168 -247 0.68559712 54570449.97769143 1084422898.73626041 -248 0.68797760 52053544.88727035 1030687582.19839287 -249 0.69035807 49661142.16198145 979792597.23732615 -250 0.69273855 47386672.13742886 931578531.43092501 -251 0.69511902 45223933.24312229 885895434.41655612 -252 0.69749950 43167070.19076063 842602225.99694455 -253 0.69987998 41210553.52465247 801566143.14693785 -254 0.70226045 39349160.44490007 762662223.24239004 -255 0.70464093 37577956.82011490 725772821.02510905 -256 0.70702140 35892280.31213851 690787156.99623692 -257 0.70940188 34287724.54053561 657600895.09535933 -258 0.71178236 32760124.21954353 626115747.67538476 -259 0.71416283 31305541.20472772 596239105.92452323 -260 0.71654331 29920251.39083666 567883694.01760221 -261 0.71892378 28600732.40629353 540967245.40017629 -262 0.72130426 27343652.05342464 515412199.72112697 -263 0.72368474 26145857.44693509 491145419.03355420 -264 0.72606521 25004364.80630980 468097921.98016810 -265 0.72844569 23916349.86076749 446204634.76883429 -266 0.73082617 22879138.82813709 425404157.82680786 -267 0.73320664 21890199.93158006 405638547.09913713 -268 0.73558712 20947135.42045914 386853109.02807504 -269 0.73796759 20047674.06386554 368996208.31654334 -270 0.74034807 19189664.08737920 352019087.64019698 -271 0.74272855 18371066.52555574 335875698.52970070 -272 0.74510902 17589948.96442385 320522542.69786203 -273 0.74748950 16844479.64994254 305918523.13548279 -274 0.74986997 16132921.93992391 292024804.34558374 -275 0.75225045 15453629.07837509 278804681.12815756 -276 0.75463093 14805039.27256557 266223455.36716583 -277 0.75701140 14185671.05438623 254248320.30823049 -278 0.75939188 13594118.90874351 242848251.84968129 -279 0.76177235 13029049.15283027 231993906.40142253 -280 0.76415283 12489196.05113900 221657524.89566523 -281 0.76653331 11973358.15204101 211812842.56113356 -282 0.76891378 11480394.83264816 202435004.09797785 -283 0.77129426 11009223.03950914 193500483.91452056 -284 0.77367473 10558814.21347155 184987011.10917488 -285 0.77605521 10128191.38777020 176873498.90160865 -286 0.77843569 9716426.44908372 169139978.23651895 -287 0.78081616 9322637.55193737 161767535.30136278 -288 0.78319664 8945986.67742646 154738252.71616709 -289 0.78557712 8585677.32779122 148035154.16916424 -290 0.78795759 8240952.34889532 141642152.28658617 -291 0.79033807 7911091.87314732 135543999.53853700 -292 0.79271854 7595411.37586092 129726241.99556012 -293 0.79509902 7293259.83847698 124175175.76235440 -294 0.79747950 7004018.01246970 118877805.92613378 -295 0.79985997 6727096.77813423 113821807.86745316 -296 0.80224045 6461935.59280322 108995490.79094590 -297 0.80462092 6208001.02336888 104387763.34242243 -298 0.80700140 5964785.35829418 99988101.18717439 -299 0.80938188 5731805.29458598 95786516.43218806 -300 0.81176235 5508600.69547302 91773528.78230672 -301 0.81414283 5294733.41478493 87940138.32723604 -302 0.81652330 5089786.18426660 84277799.86270609 -303 0.81890378 4893361.56028496 80778398.65509270 -304 0.82128426 4705080.92659436 77434227.56441586 -305 0.82366473 4524583.55002293 74237965.44587168 -306 0.82604521 4351525.68612670 71182656.75496863 -307 0.82842569 4185579.73203076 68261692.28593165 -308 0.83080616 4026433.42383931 65468790.97733329 -309 0.83318664 3873789.07614853 62797982.72294231 -310 0.83556711 3727362.86133951 60243592.12954447 -311 0.83794759 3586884.12646288 57800223.16702496 -312 0.84032807 3452094.74565270 55462744.65930381 -313 0.84270854 3322748.50612633 53226276.56781838 -314 0.84508902 3198610.52593806 51086177.02214727 -315 0.84746949 3079456.70175947 49038030.05509385 -316 0.84984997 2965073.18505754 47077634.00209555 -317 0.85223045 2855255.88513478 45200990.52721927 -318 0.85461092 2749809.99758227 43404294.24024630 -319 0.85699140 2648549.55677883 41683922.87145193 -320 0.85937187 2551297.01114638 40036427.97266124 -321 0.86175235 2457882.81994437 38458526.11501242 -322 0.86413283 2368145.07045434 36947090.55559915 -323 0.86651330 2281929.11446977 35499143.34679253 -324 0.86889378 2199087.22306735 34111847.86357618 -325 0.87127425 2119478.25869232 32782501.72566662 -326 0.87365473 2042967.36364451 31508530.09253949 -327 0.87603521 1969425.66410206 30287479.31075319 -328 0.87841568 1898729.98886771 29117010.89415148 -329 0.88079616 1830762.60206699 27994895.81864808 -330 0.88317664 1765410.94907041 26919009.11434670 -331 0.88555711 1702567.41495126 25887324.73874108 -332 0.88793759 1642129.09482836 24897910.71566898 -333 0.89031806 1583997.57547859 23948924.52556751 -334 0.89269854 1528078.72763720 23038608.73340141 -335 0.89507902 1474282.50843572 22165286.84140763 -336 0.89745949 1422522.77345684 21327359.35452870 -337 0.89983997 1372717.09791368 20523300.04709066 -338 0.90222044 1324786.60648736 19751652.41992698 -339 0.90460092 1278655.81138186 19011026.33775509 -340 0.90698140 1234252.45817851 18300094.83718446 -341 0.90936187 1191507.37909494 17617591.09627094 -342 0.91174235 1150354.35327423 16962305.55703969 -343 0.91412282 1110729.97374982 16333083.19287527 -344 0.91650330 1072573.52075050 15728820.91312584 -345 0.91888378 1035826.84102768 15148465.09769276 -346 0.92126425 1000434.23290347 14591009.25477412 -347 0.92364473 966342.33675440 14055491.79530779 -348 0.92602521 933500.03066020 13540993.91801241 -349 0.92840568 901858.33096124 13046637.59925941 -350 0.93078616 871370.29748181 12571583.68232382 -351 0.93316663 841990.94318859 12115030.06085786 -352 0.93554711 813677.14806622 11676209.95171202 -353 0.93792759 786387.57700245 11254390.25249180 -354 0.94030806 760082.60148675 10848869.97948792 -355 0.94268854 734724.22493569 10458978.78185229 -356 0.94506901 710276.01146856 10084075.52811442 -357 0.94744949 686703.01796524 9723546.96134225 -358 0.94982997 663971.72924728 9376806.41944864 -359 0.95221044 642049.99623101 9043292.61733197 -360 0.95459092 620906.97690921 8722468.48771506 -361 0.95697139 600513.08002532 8413820.07771350 -362 0.95935187 580839.91131076 8116855.49832127 -363 0.96173235 561860.22216262 7831103.92415022 -364 0.96411282 543547.86064524 7556114.64090052 -365 0.96649330 525877.72470475 7291456.13817149 -366 0.96887377 508825.71749148 7036715.24534755 -367 0.97125425 492368.70469025 6791496.30841285 -368 0.97363473 476484.47376351 6555420.40565970 -369 0.97601520 461151.69501717 6328124.60036215 -370 0.97839568 446349.88440315 6109261.22858581 -371 0.98077616 432059.36797730 5898497.22040035 -372 0.98315663 418261.24793493 5695513.45284995 -373 0.98553711 404937.37015043 5500004.13312223 -374 0.98791758 392070.29315071 5311676.21043622 -375 0.99029806 379643.25845584 5130248.81524585 -376 0.99267854 367640.16222357 4955452.72442717 -377 0.99505901 356045.52813712 4787029.85118548 -378 0.99743949 344844.48147917 4624732.75848308 -379 0.99981996 334022.72433716 4468324.19484917 -380 1.00220044 323566.51188808 4317576.65149097 -381 1.00458092 313462.62971319 4172271.93968004 -382 1.00696139 303698.37209555 4032200.78743945 -383 1.00934187 294261.52125574 3897162.45460631 -384 1.01172234 285140.32748268 3766964.36539088 -385 1.01410282 276323.49011937 3641421.75759735 -386 1.01648330 267800.13936448 3520357.34771306 -387 1.01886377 259559.81885306 3403601.01111265 -388 1.02124425 251592.46898129 3290989.47666079 -389 1.02362472 243888.41094172 3182366.03503316 -390 1.02600520 236438.33143718 3077580.26010841 -391 1.02838568 229233.26804299 2976487.74281638 -392 1.03076615 222264.59518841 2878949.83685769 -393 1.03314663 215524.01072991 2784833.41573898 -394 1.03552711 209003.52308986 2694010.64059487 -395 1.03790758 202695.43893552 2606358.73829397 -396 1.04028806 196592.35137453 2521759.78935067 -397 1.04266853 190687.12864406 2440100.52518763 -398 1.04504901 184972.90327182 2361272.13431622 -399 1.04742949 179443.06168828 2285170.07702293 -400 1.04980996 174091.23427033 2211693.90816982 -401 1.05219044 168911.28579742 2140747.10773597 -402 1.05457091 163897.30630223 2072236.91874483 -403 1.05695139 159043.60229873 2006074.19223945 -404 1.05933187 154344.68837119 1942173.23898377 -405 1.06171234 149795.27910852 1880451.68758350 -406 1.06409282 145390.28136896 1820830.34873483 -407 1.06647329 141124.78686099 1763233.08532297 -408 1.06885377 136994.06502664 1707586.68810594 -409 1.07123425 132993.55621449 1653820.75673125 -410 1.07361472 129118.86512967 1601867.58584539 -411 1.07599520 125365.75454920 1551662.05606710 -412 1.07837568 121730.13929129 1503141.52960639 -413 1.08075615 118208.08042779 1456245.75032133 -414 1.08313663 114795.77972946 1410916.74801446 -415 1.08551710 111489.57433420 1367098.74678008 -416 1.08789758 108285.93162884 1324738.07722220 -417 1.09027806 105181.44433543 1283783.09237147 -418 1.09265853 102172.82579346 1244184.08713759 -419 1.09503901 99256.90542976 1205893.22114083 -420 1.09741948 96430.62440825 1168864.44477387 -421 1.09979996 93691.03145196 1133053.42835203 -422 1.10218044 91035.27883019 1098417.49421621 -423 1.10456091 88460.61850389 1064915.55165950 -424 1.10694139 85964.39842275 1032508.03455393 -425 1.10932186 83544.05896759 1001156.84155989 -426 1.11170234 81197.12953224 970825.27880563 -427 1.11408282 78921.22523892 941478.00492997 -428 1.11646329 76714.04378177 913080.97838561 -429 1.11884377 74573.36239330 885601.40690554 -430 1.12122424 72497.03492852 859007.69903919 -431 1.12360472 70482.98906219 833269.41766934 -432 1.12598520 68529.22359438 808357.23542472 -433 1.12836567 66633.80586000 784242.89190711 -434 1.13074615 64794.86923807 760899.15265531 -435 1.13312663 63010.61075671 738299.76977200 -436 1.13550710 61279.28878990 716419.44414265 -437 1.13788758 59599.22084242 695233.78917881 -438 1.14026805 57968.78141923 674719.29602125 -439 1.14264853 56386.39997615 654853.30014119 -440 1.14502901 54850.55894834 635613.94928051 -441 1.14740948 53359.79185359 616980.17267472 -442 1.14978996 51912.68146740 598931.65150459 -443 1.15217043 50507.85806700 581448.79052510 -444 1.15455091 49143.99774153 564512.69082219 -445 1.15693139 47819.82076580 548105.12365050 -446 1.15931186 46534.09003509 532208.50530676 -447 1.16169234 45285.60955852 516805.87299594 -448 1.16407281 44073.22300881 501880.86164893 -449 1.16645329 42895.81232607 487417.68165220 -450 1.16883377 41752.29637359 473401.09745197 -451 1.17121424 40641.62964354 459816.40699660 -452 1.17359472 39562.80101064 446649.42198282 -453 1.17597520 38514.83253197 433886.44887273 -454 1.17835567 37496.77829099 421514.27064999 -455 1.18073615 36507.72328427 409520.12928499 -456 1.18311662 35546.78234904 397891.70887993 -457 1.18549710 34613.09913010 386617.11946625 -458 1.18787758 33705.84508462 375684.88142783 -459 1.19025805 32824.21852320 365083.91052454 -460 1.19263853 31967.44368595 354803.50349182 -461 1.19501900 31134.76985220 344833.32419308 -462 1.19739948 30325.47048248 335163.39030259 -463 1.19977996 29538.84239165 325784.06049741 -464 1.20216043 28774.20495190 316686.02213810 -465 1.20454091 28030.89932452 307860.27941843 -466 1.20692138 27308.28771936 299298.14196544 -467 1.20930186 26605.75268085 290991.21387181 -468 1.21168234 25922.69639973 282931.38314337 -469 1.21406281 25258.54004930 275110.81154514 -470 1.21644329 24612.72314551 267521.92483019 -471 1.21882376 23984.70292977 260157.40333610 -472 1.22120424 23373.95377375 253010.17293444 -473 1.22358472 22779.96660537 246073.39631952 -474 1.22596519 22202.24835505 239340.46462275 -475 1.22834567 21640.32142160 232804.98934012 -476 1.23072615 21093.72315697 226460.79456037 -477 1.23310662 20562.00536915 220301.90948200 -478 1.23548710 20044.73384249 214322.56120803 -479 1.23786757 19541.48787497 208517.16780755 -480 1.24024805 19051.85983156 202880.33163365 -481 1.24262853 18575.45471328 197406.83288791 -482 1.24500900 18111.88974122 192091.62342173 -483 1.24738948 17660.79395513 186929.82076550 -484 1.24976995 17221.80782589 181916.70237659 -485 1.25215043 16794.58288143 177047.70009803 -486 1.25453091 16378.78134564 172318.39481947 -487 1.25691138 15974.07578972 167724.51133284 -488 1.25929186 15580.14879555 163261.91337525 -489 1.26167233 15196.69263066 158926.59885180 -490 1.26405281 14823.40893437 154714.69523168 -491 1.26643329 14460.00841467 150622.45511071 -492 1.26881376 14106.21055548 146646.25193423 -493 1.27119424 13761.74333391 142782.57587404 -494 1.27357471 13426.34294718 139028.02985367 -495 1.27595519 13099.75354874 135379.32571637 -496 1.27833567 12781.72699349 131833.28053042 -497 1.28071614 12472.02259153 128386.81302655 -498 1.28309662 12170.40687023 125036.94016253 -499 1.28547710 11876.65334443 121780.77381021 -500 1.28785757 11590.54229430 118615.51756036 -501 1.29023805 11311.86055070 115538.46364086 -502 1.29261852 11040.40128772 112546.98994418 -503 1.29499900 10775.96382221 109638.55715988 -504 1.29737948 10518.35342001 106810.70600839 -505 1.29975995 10267.38110861 104061.05457218 -506 1.30214043 10022.86349606 101387.29572081 -507 1.30452090 9784.62259597 98787.19462637 -508 1.30690138 9552.48565821 96258.58636592 -509 1.30928186 9326.28500531 93799.37360778 -510 1.31166233 9105.85787422 91407.52437856 -511 1.31404281 8891.04626329 89081.06990804 -512 1.31642328 8681.69678436 86818.10254891 -513 1.31880376 8477.66051958 84616.77376876 -514 1.32118424 8278.79288310 82475.29221161 -515 1.32356471 8084.95348714 80391.92182650 -516 1.32594519 7896.00601250 78364.98006065 -517 1.32832567 7711.81808335 76392.83611490 -518 1.33070614 7532.26114601 74473.90925909 -519 1.33308662 7357.21035170 72606.66720536 -520 1.33546709 7186.54444312 70789.62453710 -521 1.33784757 7020.14564472 69021.34119167 -522 1.34022805 6857.89955643 67300.42099494 -523 1.34260852 6699.69505093 65625.51024572 -524 1.34498900 6545.42417414 63995.29634840 -525 1.34736947 6394.98204899 62408.50649195 -526 1.34974995 6248.26678222 60863.90637377 -527 1.35213043 6105.17937418 59360.29896665 -528 1.35451090 5965.62363156 57896.52332741 -529 1.35689138 5829.50608281 56471.45344565 -530 1.35927185 5696.73589638 55083.99713135 -531 1.36165233 5567.22480145 53733.09493968 -532 1.36403281 5440.88701124 52417.71913198 -533 1.36641328 5317.63914875 51136.87267148 -534 1.36879376 5197.40017483 49889.58825254 -535 1.37117423 5080.09131851 48674.92736231 -536 1.37355471 4965.63600956 47491.97937363 -537 1.37593519 4853.95981318 46339.86066800 -538 1.37831566 4744.99036668 45217.71378774 -539 1.38069614 4638.65731820 44124.70661618 -540 1.38307662 4534.89226736 43060.03158493 -541 1.38545709 4433.62870771 42022.90490733 -542 1.38783757 4334.80197103 41012.56583718 -543 1.39021804 4238.34917331 40028.27595178 -544 1.39259852 4144.20916246 39069.31845855 -545 1.39497900 4052.32246764 38134.99752435 -546 1.39735947 3962.63125010 37224.63762672 -547 1.39973995 3875.07925561 36337.58292637 -548 1.40212042 3789.61176833 35473.19666004 -549 1.40450090 3706.17556611 34630.86055315 -550 1.40688138 3624.71887714 33809.97425157 -551 1.40926185 3545.19133793 33009.95477171 -552 1.41164233 3467.54395267 32230.23596853 -553 1.41402280 3391.72905367 31470.26802066 -554 1.41640328 3317.70026318 30729.51693215 -555 1.41878376 3245.41245624 30007.46405028 -556 1.42116423 3174.82172473 29303.60559883 -557 1.42354471 3105.88534250 28617.45222638 -558 1.42592519 3038.56173158 27948.52856906 -559 1.42830566 2972.81042933 27296.37282723 -560 1.43068614 2908.59205671 26660.53635578 -561 1.43306661 2845.86828736 26040.58326739 -562 1.43544709 2784.60181779 25436.09004848 -563 1.43782757 2724.75633829 24846.64518732 -564 1.44020804 2666.29650480 24271.84881392 -565 1.44258852 2609.18791167 23711.31235139 -566 1.44496899 2553.39706512 23164.65817823 -567 1.44734947 2498.89135757 22631.51930135 -568 1.44972995 2445.63904274 22111.53903931 -569 1.45211042 2393.60921143 21604.37071559 -570 1.45449090 2342.77176812 21109.67736146 -571 1.45687137 2293.09740812 20627.13142814 -572 1.45925185 2244.55759557 20156.41450802 -573 1.46163233 2197.12454193 19697.21706450 -574 1.46401280 2150.77118523 19249.23817034 -575 1.46639328 2105.47116984 18812.18525414 -576 1.46877375 2061.19882689 18385.77385461 -577 1.47115423 2017.92915525 17969.72738259 -578 1.47353471 1975.63780306 17563.77689034 -579 1.47591518 1934.30104982 17167.66084804 -580 1.47829566 1893.89578898 16781.12492712 -581 1.48067614 1854.39951103 16403.92179032 -582 1.48305661 1815.79028716 16035.81088817 -583 1.48543709 1778.04675326 15676.55826176 -584 1.48781756 1741.14809452 15325.93635153 -585 1.49019804 1705.07403040 14983.72381192 -586 1.49257852 1669.80480005 14649.70533170 -587 1.49495899 1635.32114814 14323.67145972 -588 1.49733947 1601.60431115 14005.41843610 -589 1.49971994 1568.63600396 13694.74802841 -590 1.50210042 1536.39840695 13391.46737289 -591 1.50448090 1504.87415336 13095.38882051 -592 1.50686137 1474.04631706 12806.32978764 -593 1.50924185 1443.89840067 12524.11261124 -594 1.51162232 1414.41432403 12248.56440847 -595 1.51400280 1385.57841296 11979.51694043 -596 1.51638328 1357.37538837 11716.80648010 -597 1.51876375 1329.79035567 11460.27368420 -598 1.52114423 1302.80879451 11209.76346884 -599 1.52352470 1276.41654874 10965.12488902 -600 1.52590518 1250.59981674 10726.21102159 -601 1.52828566 1225.34514195 10492.87885178 -602 1.53066613 1200.63940372 10264.98916310 -603 1.53304661 1176.46980838 10042.40643051 -604 1.53542709 1152.82388058 9824.99871674 -605 1.53780756 1129.68945489 9612.63757171 -606 1.54018804 1107.05466759 9405.19793492 -607 1.54256851 1084.90794871 9202.55804072 -608 1.54494899 1063.23801433 9004.59932637 -609 1.54732947 1042.03385903 8811.20634279 -610 1.54970994 1021.28474860 8622.26666801 -611 1.55209042 1000.98021293 8437.67082306 -612 1.55447089 981.11003910 8257.31219039 -613 1.55685137 961.66426464 8081.08693467 -614 1.55923185 942.63317107 7908.89392586 -615 1.56161232 924.00727745 7740.63466460 -616 1.56399280 905.77733430 7576.21320972 -617 1.56637327 887.93431753 7415.53610782 -618 1.56875375 870.46942261 7258.51232504 -619 1.57113423 853.37405892 7105.05318063 -620 1.57351470 836.63984420 6955.07228254 -621 1.57589518 820.25859918 6808.48546490 -622 1.57827566 804.22234236 6665.21072721 -623 1.58065613 788.52328491 6525.16817535 -624 1.58303661 773.15382575 6388.27996428 -625 1.58541708 758.10654672 6254.47024237 -626 1.58779756 743.37420790 6123.66509732 -627 1.59017804 728.94974305 5995.79250364 -628 1.59255851 714.82625523 5870.78227164 -629 1.59493899 700.99701240 5748.56599787 -630 1.59731946 687.45544331 5629.07701697 -631 1.59969994 674.19513336 5512.25035487 -632 1.60208042 661.20982067 5398.02268336 -633 1.60446089 648.49339218 5286.33227591 -634 1.60684137 636.03987993 5177.11896479 -635 1.60922184 623.84345733 5070.32409933 -636 1.61160232 611.89843569 4965.89050545 -637 1.61398280 600.19926067 4863.76244623 -638 1.61636327 588.74050894 4763.88558367 -639 1.61874375 577.51688493 4666.20694152 -640 1.62112422 566.52321753 4570.67486907 -641 1.62350470 555.75445710 4477.23900607 -642 1.62588518 545.20567235 4385.85024856 -643 1.62826565 534.87204742 4296.46071565 -644 1.63064613 524.74887901 4209.02371728 -645 1.63302661 514.83157357 4123.49372282 -646 1.63540708 505.11564460 4039.82633060 -647 1.63778756 495.59670998 3957.97823821 -648 1.64016803 486.27048938 3877.90721373 -649 1.64254851 477.13280176 3799.57206764 -650 1.64492899 468.17956292 3722.93262559 -651 1.64730946 459.40678311 3647.94970189 -652 1.64968994 450.81056471 3574.58507374 -653 1.65207041 442.38709998 3502.80145616 -654 1.65445089 434.13266881 3432.56247761 -655 1.65683137 426.04363665 3363.83265629 -656 1.65921184 418.11645235 3296.57737707 -657 1.66159232 410.34764615 3230.76286907 -658 1.66397279 402.73382771 3166.35618386 -659 1.66635327 395.27168417 3103.32517423 -660 1.66873375 387.95797825 3041.63847352 -661 1.67111422 380.78954643 2981.26547560 -662 1.67349470 373.76329716 2922.17631527 -663 1.67587518 366.87620912 2864.34184933 -664 1.67825565 360.12532955 2807.73363800 -665 1.68063613 353.50777253 2752.32392701 -666 1.68301660 347.02071743 2698.08563006 -667 1.68539708 340.66140732 2644.99231179 -668 1.68777756 334.42714745 2593.01817120 -669 1.69015803 328.31530372 2542.13802554 -670 1.69253851 322.32330129 2492.32729461 -671 1.69491898 316.44862311 2443.56198546 -672 1.69729946 310.68880857 2395.81867758 -673 1.69967994 305.04145213 2349.07450835 -674 1.70206041 299.50420206 2303.30715905 -675 1.70444089 294.07475907 2258.49484109 -676 1.70682136 288.75087518 2214.61628268 -677 1.70920184 283.53035239 2171.65071585 -678 1.71158232 278.41104160 2129.57786382 -679 1.71396279 273.39084136 2088.37792867 -680 1.71634327 268.46769682 2048.03157936 -681 1.71872374 263.63959860 2008.51994007 -682 1.72110422 258.90458171 1969.82457887 -683 1.72348470 254.26072454 1931.92749659 -684 1.72586517 249.70614780 1894.81111612 -685 1.72824565 245.23901356 1858.45827191 -686 1.73062613 240.85752427 1822.85219974 -687 1.73300660 236.55992183 1787.97652680 -688 1.73538708 232.34448664 1753.81526197 -689 1.73776755 228.20953674 1720.35278645 -690 1.74014803 224.15342690 1687.57384453 -691 1.74252851 220.17454780 1655.46353467 -692 1.74490898 216.27132517 1624.00730077 -693 1.74728946 212.44221897 1593.19092370 -694 1.74966993 208.68572266 1563.00051301 -695 1.75205041 205.00036234 1533.42249894 -696 1.75443089 201.38469605 1504.44362450 -697 1.75681136 197.83731304 1476.05093788 -698 1.75919184 194.35683302 1448.23178499 -699 1.76157231 190.94190547 1420.97380221 -700 1.76395279 187.59120899 1394.26490932 -701 1.76633327 184.30345057 1368.09330263 -702 1.76871374 181.07736501 1342.44744828 -703 1.77109422 177.91171422 1317.31607566 -704 1.77347469 174.80528666 1292.68817110 -705 1.77585517 171.75689669 1268.55297161 -706 1.77823565 168.76538401 1244.89995890 -707 1.78061612 165.82961306 1221.71885342 -708 1.78299660 162.94847248 1198.99960864 -709 1.78537708 160.12087456 1176.73240548 -710 1.78775755 157.34575469 1154.90764681 -711 1.79013803 154.62207084 1133.51595217 -712 1.79251850 151.94880308 1112.54815257 -713 1.79489898 149.32495304 1091.99528544 -714 1.79727946 146.74954344 1071.84858970 -715 1.79965993 144.22161765 1052.09950098 -716 1.80204041 141.74023917 1032.73964693 -717 1.80442088 139.30449121 1013.76084264 -718 1.80680136 136.91347626 995.15508621 -719 1.80918184 134.56631563 976.91455444 -720 1.81156231 132.26214904 959.03159853 -721 1.81394279 130.00013424 941.49874006 -722 1.81632326 127.77944656 924.30866685 -723 1.81870374 125.59927855 907.45422917 -724 1.82108422 123.45883959 890.92843582 -725 1.82346469 121.35735552 874.72445043 -726 1.82584517 119.29406826 858.83558786 -727 1.82822565 117.26823549 843.25531061 -728 1.83060612 115.27913026 827.97722542 -729 1.83298660 113.32604068 812.99507982 -730 1.83536707 111.40826958 798.30275891 -731 1.83774755 109.52513419 783.89428214 -732 1.84012803 107.67596580 769.76380016 -733 1.84250850 105.86010949 755.90559178 -734 1.84488898 104.07692381 742.31406101 -735 1.84726945 102.32578048 728.98373413 -736 1.84964993 100.60606409 715.90925690 -737 1.85203041 98.91717188 703.08539174 -738 1.85441088 97.25851337 690.50701509 -739 1.85679136 95.62951018 678.16911474 -740 1.85917183 94.02959571 666.06678729 -741 1.86155231 92.45821493 654.19523565 -742 1.86393279 90.91482408 642.54976657 -743 1.86631326 89.39889046 631.12578829 -744 1.86869374 87.90989219 619.91880818 -745 1.87107421 86.44731796 608.92443052 -746 1.87345469 85.01066681 598.13835424 -747 1.87583517 83.59944791 587.55637078 -748 1.87821564 82.21318034 577.17436198 -749 1.88059612 80.85139289 566.98829803 -750 1.88297660 79.51362381 556.99423543 -751 1.88535707 78.19942068 547.18831509 -752 1.88773755 76.90834012 537.56676034 -753 1.89011802 75.63994767 528.12587514 -754 1.89249850 74.39381759 518.86204220 -755 1.89487898 73.16953262 509.77172124 -756 1.89725945 71.96668386 500.85144721 -757 1.89963993 70.78487058 492.09782865 -758 1.90202040 69.62370003 483.50754598 -759 1.90440088 68.48278725 475.07734993 -760 1.90678136 67.36175497 466.80405995 -761 1.90916183 66.26023341 458.68456263 -762 1.91154231 65.17786009 450.71581027 -763 1.91392278 64.11427974 442.89481935 -764 1.91630326 63.06914410 435.21866913 -765 1.91868374 62.04211180 427.68450022 -766 1.92106421 61.03284820 420.28951327 -767 1.92344469 60.04102526 413.03096756 -768 1.92582517 59.06632138 405.90617978 -769 1.92820564 58.10842129 398.91252268 -770 1.93058612 57.16701592 392.04742388 -771 1.93296659 56.24180224 385.30836462 -772 1.93534707 55.33248317 378.69287862 -773 1.93772755 54.43876741 372.19855088 -774 1.94010802 53.56036940 365.82301657 -775 1.94248850 52.69700910 359.56395992 -776 1.94486897 51.84841195 353.41911314 -777 1.94724945 51.01430874 347.38625537 -778 1.94962993 50.19443546 341.46321167 -779 1.95201040 49.38853327 335.64785196 -780 1.95439088 48.59634830 329.93809010 -781 1.95677135 47.81763163 324.33188290 -782 1.95915183 47.05213913 318.82722918 -783 1.96153231 46.29963140 313.42216887 -784 1.96391278 45.55987367 308.11478209 -785 1.96629326 44.83263565 302.90318833 -786 1.96867373 44.11769152 297.78554552 -787 1.97105421 43.41481979 292.76004925 -788 1.97343469 42.72380321 287.82493194 -789 1.97581516 42.04442871 282.97846205 -790 1.97819564 41.37648728 278.21894329 -791 1.98057612 40.71977394 273.54471387 -792 1.98295659 40.07408760 268.95414573 -793 1.98533707 39.43923100 264.44564387 -794 1.98771754 38.81501065 260.01764557 -795 1.99009802 38.20123675 255.66861975 -796 1.99247850 37.59772310 251.39706629 -797 1.99485897 37.00428703 247.20151531 -798 1.99723945 36.42074934 243.08052661 -799 1.99961992 35.84693422 239.03268895 -800 2.00200040 35.28266919 235.05661949 -801 2.00438088 34.72778502 231.15096318 -802 2.00676135 34.18211569 227.31439213 -803 2.00914183 33.64549829 223.54560508 -804 2.01152230 33.11777298 219.84332680 -805 2.01390278 32.59878294 216.20630755 -806 2.01628326 32.08837427 212.63332256 -807 2.01866373 31.58639600 209.12317145 -808 2.02104421 31.09269993 205.67467778 -809 2.02342468 30.60714068 202.28668850 -810 2.02580516 30.12957556 198.95807347 -811 2.02818564 29.65986457 195.68772497 -812 2.03056611 29.19787029 192.47455724 -813 2.03294659 28.74345788 189.31750604 -814 2.03532707 28.29649499 186.21552813 -815 2.03770754 27.85685176 183.16760091 -816 2.04008802 27.42440071 180.17272193 -817 2.04246849 26.99901673 177.22990850 -818 2.04484897 26.58057704 174.33819727 -819 2.04722945 26.16896111 171.49664381 -820 2.04960992 25.76405065 168.70432226 -821 2.05199040 25.36572956 165.96032489 -822 2.05437087 24.97388384 163.26376175 -823 2.05675135 24.58840165 160.61376032 -824 2.05913183 24.20917314 158.00946511 -825 2.06151230 23.83609053 155.45003732 -826 2.06389278 23.46904800 152.93465452 -827 2.06627325 23.10794165 150.46251029 -828 2.06865373 22.75266950 148.03281387 -829 2.07103421 22.40313143 145.64478988 -830 2.07341468 22.05922915 143.29767798 -831 2.07579516 21.72086617 140.99073258 -832 2.07817564 21.38794773 138.72322248 -833 2.08055611 21.06038081 136.49443065 -834 2.08293659 20.73807410 134.30365391 -835 2.08531706 20.42093792 132.15020261 -836 2.08769754 20.10888423 130.03340043 -837 2.09007802 19.80182657 127.95258402 -838 2.09245849 19.49968005 125.90710282 -839 2.09483897 19.20236134 123.89631873 -840 2.09721944 18.90978857 121.91960590 -841 2.09959992 18.62188137 119.97635047 -842 2.10198040 18.33856083 118.06595032 -843 2.10436087 18.05974943 116.18781483 -844 2.10674135 17.78537106 114.34136467 -845 2.10912182 17.51535097 112.52603154 -846 2.11150230 17.24961575 110.74125796 -847 2.11388278 16.98809332 108.98649707 -848 2.11626325 16.73071286 107.26121240 -849 2.11864373 16.47740484 105.56487764 -850 2.12102420 16.22810096 103.89697648 -851 2.12340468 15.98273414 102.25700238 -852 2.12578516 15.74123850 100.64445836 -853 2.12816563 15.50354931 99.05885687 -854 2.13054611 15.26960302 97.49971953 -855 2.13292659 15.03933718 95.96657697 -856 2.13530706 14.81269047 94.45896869 -857 2.13768754 14.58960265 92.97644282 -858 2.14006801 14.37001452 91.51855599 -859 2.14244849 14.15386797 90.08487315 -860 2.14482897 13.94110588 88.67496741 -861 2.14720944 13.73167216 87.28841985 -862 2.14958992 13.52551168 85.92481941 -863 2.15197039 13.32257031 84.58376270 -864 2.15435087 13.12279486 83.26485384 -865 2.15673135 12.92613306 81.96770435 -866 2.15911182 12.73253357 80.69193296 -867 2.16149230 12.54194596 79.43716553 -868 2.16387277 12.35432065 78.20303482 -869 2.16625325 12.16960896 76.98918043 -870 2.16863373 11.98776303 75.79524865 -871 2.17101420 11.80873587 74.62089229 -872 2.17339468 11.63248127 73.46577060 -873 2.17577516 11.45895385 72.32954912 -874 2.17815563 11.28810901 71.21189956 -875 2.18053611 11.11990292 70.11249967 -876 2.18291658 10.95429252 69.03103316 -877 2.18529706 10.79123549 67.96718953 -878 2.18767754 10.63069024 66.92066400 -879 2.19005801 10.47261590 65.89115737 -880 2.19243849 10.31697232 64.87837594 -881 2.19481896 10.16372001 63.88203136 -882 2.19719944 10.01282020 62.90184059 -883 2.19957992 9.86423476 61.93752574 -884 2.20196039 9.71792622 60.98881399 -885 2.20434087 9.57385776 60.05543750 -886 2.20672134 9.43199320 59.13713329 -887 2.20910182 9.29229695 58.23364320 -888 2.21148230 9.15473405 57.34471373 -889 2.21386277 9.01927015 56.47009599 -890 2.21624325 8.88587146 55.60954560 -891 2.21862372 8.75450479 54.76282260 -892 2.22100420 8.62513750 53.92969140 -893 2.22338468 8.49773751 53.10992063 -894 2.22576515 8.37227328 52.30328312 -895 2.22814563 8.24871383 51.50955579 -896 2.23052611 8.12702868 50.72851957 -897 2.23290658 8.00718788 49.95995935 -898 2.23528706 7.88916197 49.20366388 -899 2.23766753 7.77292202 48.45942569 -900 2.24004801 7.65843956 47.72704104 -901 2.24242849 7.54568661 47.00630986 -902 2.24480896 7.43463567 46.29703561 -903 2.24718944 7.32525970 45.59902533 -904 2.24956991 7.21753210 44.91208945 -905 2.25195039 7.11142675 44.23604181 -906 2.25433087 7.00691793 43.57069956 -907 2.25671134 6.90398038 42.91588311 -908 2.25909182 6.80258925 42.27141607 -909 2.26147229 6.70272011 41.63712516 -910 2.26385277 6.60434895 41.01284019 -911 2.26623325 6.50745213 40.39839400 -912 2.26861372 6.41200645 39.79362236 -913 2.27099420 6.31798905 39.19836398 -914 2.27337467 6.22537749 38.61246039 -915 2.27575515 6.13414968 38.03575594 -916 2.27813563 6.04428390 37.46809770 -917 2.28051610 5.95575879 36.90933547 -918 2.28289658 5.86855337 36.35932165 -919 2.28527706 5.78264698 35.81791127 -920 2.28765753 5.69801930 35.28496190 -921 2.29003801 5.61465036 34.76033358 -922 2.29241848 5.53252052 34.24388884 -923 2.29479896 5.45161045 33.73549260 -924 2.29717944 5.37190117 33.23501213 -925 2.29955991 5.29337397 32.74231705 -926 2.30194039 5.21601049 32.25727923 -927 2.30432086 5.13979263 31.77977278 -928 2.30670134 5.06470263 31.30967401 -929 2.30908182 4.99072299 30.84686137 -930 2.31146229 4.91783651 30.39121542 -931 2.31384277 4.84602627 29.94261882 -932 2.31622324 4.77527563 29.50095624 -933 2.31860372 4.70556822 29.06611435 -934 2.32098420 4.63688793 28.63798179 -935 2.32336467 4.56921892 28.21644913 -936 2.32574515 4.50254561 27.80140882 -937 2.32812563 4.43685267 27.39275517 -938 2.33050610 4.37212503 26.99038431 -939 2.33288658 4.30834784 26.59419416 -940 2.33526705 4.24550651 26.20408439 -941 2.33764753 4.18358670 25.81995641 -942 2.34002801 4.12257427 25.44171332 -943 2.34240848 4.06245532 25.06925986 -944 2.34478896 4.00321620 24.70250242 -945 2.34716943 3.94484344 24.34134900 -946 2.34954991 3.88732383 23.98570915 -947 2.35193039 3.83064433 23.63549399 -948 2.35431086 3.77479213 23.29061614 -949 2.35669134 3.71975465 22.95098972 -950 2.35907181 3.66551947 22.61653030 -951 2.36145229 3.61207440 22.28715490 -952 2.36383277 3.55940742 21.96278194 -953 2.36621324 3.50750673 21.64333123 -954 2.36859372 3.45636071 21.32872394 -955 2.37097419 3.40595792 21.01888259 -956 2.37335467 3.35628710 20.71373098 -957 2.37573515 3.30733717 20.41319422 -958 2.37811562 3.25909725 20.11719870 -959 2.38049610 3.21155661 19.82567201 -960 2.38287658 3.16470469 19.53854300 -961 2.38525705 3.11853110 19.25574170 -962 2.38763753 3.07302564 18.97719932 -963 2.39001800 3.02817824 18.70284824 -964 2.39239848 2.98397900 18.43262195 -965 2.39477896 2.94041819 18.16645508 -966 2.39715943 2.89748621 17.90428335 -967 2.39953991 2.85517363 17.64604354 -968 2.40192038 2.81347117 17.39167351 -969 2.40430086 2.77236968 17.14111216 -970 2.40668134 2.73186018 16.89429938 -971 2.40906181 2.69193380 16.65117609 -972 2.41144229 2.65258184 16.41168419 -973 2.41382276 2.61379572 16.17576654 -974 2.41620324 2.57556700 15.94336696 -975 2.41858372 2.53788737 15.71443021 -976 2.42096419 2.50074864 15.48890193 -977 2.42334467 2.46414278 15.26672871 -978 2.42572515 2.42806186 15.04785800 -979 2.42810562 2.39249807 14.83223811 -980 2.43048610 2.35744374 14.61981823 -981 2.43286657 2.32289132 14.41054837 -982 2.43524705 2.28883335 14.20437938 -983 2.43762753 2.25526252 14.00126291 -984 2.44000800 2.22217162 13.80115141 -985 2.44238848 2.18955355 13.60399811 -986 2.44476895 2.15740133 13.40975702 -987 2.44714943 2.12570807 13.21838288 -988 2.44952991 2.09446700 13.02983121 -989 2.45191038 2.06367146 12.84405822 -990 2.45429086 2.03331488 12.66102087 -991 2.45667133 2.00339081 12.48067681 -992 2.45905181 1.97389287 12.30298438 -993 2.46143229 1.94481481 12.12790261 -994 2.46381276 1.91615047 11.95539118 -995 2.46619324 1.88789376 11.78541045 -996 2.46857371 1.86003871 11.61792142 -997 2.47095419 1.83257944 11.45288571 -998 2.47333467 1.80551016 11.29026559 -999 2.47571514 1.77882514 11.13002391 -1000 2.47809562 1.75251879 10.97212415 -1001 2.48047610 1.72658555 10.81653038 -1002 2.48285657 1.70102000 10.66320723 -1003 2.48523705 1.67581676 10.51211993 -1004 2.48761752 1.65097055 10.36323425 -1005 2.48999800 1.62647618 10.21651652 -1006 2.49237848 1.60232851 10.07193363 -1007 2.49475895 1.57852251 9.92945299 -1008 2.49713943 1.55505322 9.78904252 -1009 2.49951990 1.53191573 9.65067068 -1010 2.50190038 1.50910524 9.51430643 -1011 2.50428086 1.48661701 9.37991922 -1012 2.50666133 1.46444635 9.24747900 -1013 2.50904181 1.44258868 9.11695621 -1014 2.51142228 1.42103946 8.98832174 -1015 2.51380276 1.39979423 8.86154696 -1016 2.51618324 1.37884861 8.73660371 -1017 2.51856371 1.35819825 8.61346425 -1018 2.52094419 1.33783891 8.49210130 -1019 2.52332466 1.31776637 8.37248803 -1020 2.52570514 1.29797652 8.25459802 -1021 2.52808562 1.27846528 8.13840526 -1022 2.53046609 1.25922864 8.02388417 -1023 2.53284657 1.24026265 7.91100958 -1024 2.53522705 1.22156341 7.79975671 -1025 2.53760752 1.20312711 7.69010117 -1026 2.53998800 1.18494996 7.58201897 -1027 2.54236847 1.16702825 7.47548649 -1028 2.54474895 1.14935832 7.37048049 -1029 2.54712943 1.13193655 7.26697808 -1030 2.54950990 1.11475940 7.16495676 -1031 2.55189038 1.09782338 7.06439437 -1032 2.55427085 1.08112502 6.96526908 -1033 2.55665133 1.06466094 6.86755944 -1034 2.55903181 1.04842779 6.77124432 -1035 2.56141228 1.03242228 6.67630292 -1036 2.56379276 1.01664116 6.58271477 -1037 2.56617323 1.00108123 6.49045971 -1038 2.56855371 0.98573935 6.39951793 -1039 2.57093419 0.97061241 6.30986989 -1040 2.57331466 0.95569735 6.22149637 -1041 2.57569514 0.94099116 6.13437847 -1042 2.57807562 0.92649088 6.04849756 -1043 2.58045609 0.91219359 5.96383531 -1044 2.58283657 0.89809640 5.88037367 -1045 2.58521704 0.88419647 5.79809489 -1046 2.58759752 0.87049102 5.71698148 -1047 2.58997800 0.85697729 5.63701622 -1048 2.59235847 0.84365256 5.55818217 -1049 2.59473895 0.83051416 5.48046265 -1050 2.59711942 0.81755947 5.40384122 -1051 2.59949990 0.80478587 5.32830173 -1052 2.60188038 0.79219083 5.25382824 -1053 2.60426085 0.77977181 5.18040510 -1054 2.60664133 0.76752635 5.10801686 -1055 2.60902180 0.75545198 5.03664834 -1056 2.61140228 0.74354631 4.96628458 -1057 2.61378276 0.73180695 4.89691085 -1058 2.61616323 0.72023158 4.82851265 -1059 2.61854371 0.70881787 4.76107571 -1060 2.62092418 0.69756357 4.69458597 -1061 2.62330466 0.68646643 4.62902959 -1062 2.62568514 0.67552425 4.56439293 -1063 2.62806561 0.66473486 4.50066259 -1064 2.63044609 0.65409610 4.43782535 -1065 2.63282657 0.64360588 4.37586820 -1066 2.63520704 0.63326212 4.31477833 -1067 2.63758752 0.62306275 4.25454311 -1068 2.63996799 0.61300577 4.19515014 -1069 2.64234847 0.60308918 4.13658717 -1070 2.64472895 0.59331103 4.07884217 -1071 2.64710942 0.58366937 4.02190326 -1072 2.64948990 0.57416231 3.96575876 -1073 2.65187037 0.56478796 3.91039718 -1074 2.65425085 0.55554448 3.85580717 -1075 2.65663133 0.54643005 3.80197760 -1076 2.65901180 0.53744285 3.74889746 -1077 2.66139228 0.52858114 3.69655594 -1078 2.66377275 0.51984315 3.64494237 -1079 2.66615323 0.51122717 3.59404627 -1080 2.66853371 0.50273151 3.54385730 -1081 2.67091418 0.49435448 3.49436528 -1082 2.67329466 0.48609446 3.44556017 -1083 2.67567514 0.47794980 3.39743211 -1084 2.67805561 0.46991892 3.34997137 -1085 2.68043609 0.46200022 3.30316837 -1086 2.68281656 0.45419217 3.25701367 -1087 2.68519704 0.44649323 3.21149798 -1088 2.68757752 0.43890189 3.16661215 -1089 2.68995799 0.43141665 3.12234716 -1090 2.69233847 0.42403605 3.07869412 -1091 2.69471894 0.41675866 3.03564430 -1092 2.69709942 0.40958303 2.99318908 -1093 2.69947990 0.40250776 2.95131996 -1094 2.70186037 0.39553147 2.91002858 -1095 2.70424085 0.38865280 2.86930672 -1096 2.70662132 0.38187040 2.82914626 -1097 2.70900180 0.37518293 2.78953920 -1098 2.71138228 0.36858910 2.75047768 -1099 2.71376275 0.36208761 2.71195394 -1100 2.71614323 0.35567720 2.67396034 -1101 2.71852370 0.34935660 2.63648935 -1102 2.72090418 0.34312459 2.59953356 -1103 2.72328466 0.33697994 2.56308567 -1104 2.72566513 0.33092146 2.52713849 -1105 2.72804561 0.32494797 2.49168491 -1106 2.73042609 0.31905828 2.45671796 -1107 2.73280656 0.31325127 2.42223076 -1108 2.73518704 0.30752578 2.38821654 -1109 2.73756751 0.30188071 2.35466860 -1110 2.73994799 0.29631495 2.32158038 -1111 2.74232847 0.29082742 2.28894539 -1112 2.74470894 0.28541704 2.25675724 -1113 2.74708942 0.28008276 2.22500964 -1114 2.74946989 0.27482353 2.19369640 -1115 2.75185037 0.26963833 2.16281139 -1116 2.75423085 0.26452615 2.13234861 -1117 2.75661132 0.25948599 2.10230213 -1118 2.75899180 0.25451687 2.07266610 -1119 2.76137227 0.24961781 2.04343475 -1120 2.76375275 0.24478786 2.01460243 -1121 2.76613323 0.24002607 1.98616354 -1122 2.76851370 0.23533152 1.95811257 -1123 2.77089418 0.23070329 1.93044410 -1124 2.77327465 0.22614047 1.90315277 -1125 2.77565513 0.22164217 1.87623331 -1126 2.77803561 0.21720752 1.84968054 -1127 2.78041608 0.21283564 1.82348934 -1128 2.78279656 0.20852569 1.79765465 -1129 2.78517704 0.20427682 1.77217152 -1130 2.78755751 0.20008819 1.74703505 -1131 2.78993799 0.19595900 1.72224040 -1132 2.79231846 0.19188842 1.69778283 -1133 2.79469894 0.18787567 1.67365764 -1134 2.79707942 0.18391996 1.64986023 -1135 2.79945989 0.18002051 1.62638603 -1136 2.80184037 0.17617656 1.60323056 -1137 2.80422084 0.17238735 1.58038940 -1138 2.80660132 0.16865215 1.55785820 -1139 2.80898180 0.16497022 1.53563265 -1140 2.81136227 0.16134084 1.51370853 -1141 2.81374275 0.15776329 1.49208167 -1142 2.81612322 0.15423688 1.47074795 -1143 2.81850370 0.15076090 1.44970333 -1144 2.82088418 0.14733468 1.42894380 -1145 2.82326465 0.14395755 1.40846545 -1146 2.82564513 0.14062883 1.38826437 -1147 2.82802561 0.13734787 1.36833676 -1148 2.83040608 0.13411403 1.34867885 -1149 2.83278656 0.13092666 1.32928692 -1150 2.83516703 0.12778515 1.31015730 -1151 2.83754751 0.12468886 1.29128640 -1152 2.83992799 0.12163719 1.27267065 -1153 2.84230846 0.11862954 1.25430654 -1154 2.84468894 0.11566530 1.23619063 -1155 2.84706941 0.11274390 1.21831951 -1156 2.84944989 0.10986475 1.20068981 -1157 2.85183037 0.10702728 1.18329823 -1158 2.85421084 0.10423094 1.16614150 -1159 2.85659132 0.10147516 1.14921641 -1160 2.85897179 0.09875939 1.13251979 -1161 2.86135227 0.09608310 1.11604851 -1162 2.86373275 0.09344576 1.09979950 -1163 2.86611322 0.09084684 1.08376971 -1164 2.86849370 0.08828581 1.06795615 -1165 2.87087417 0.08576218 1.05235587 -1166 2.87325465 0.08327543 1.03696596 -1167 2.87563513 0.08082507 1.02178355 -1168 2.87801560 0.07841061 1.00680581 -1169 2.88039608 0.07603156 0.99202996 -1170 2.88277656 0.07368744 0.97745324 -1171 2.88515703 0.07137779 0.96307296 -1172 2.88753751 0.06910214 0.94888643 -1173 2.88991798 0.06686004 0.93489102 -1174 2.89229846 0.06465102 0.92108414 -1175 2.89467894 0.06247465 0.90746322 -1176 2.89705941 0.06033049 0.89402575 -1177 2.89943989 0.05821809 0.88076923 -1178 2.90182036 0.05613705 0.86769122 -1179 2.90420084 0.05408692 0.85478928 -1180 2.90658132 0.05206730 0.84206104 -1181 2.90896179 0.05007777 0.82950415 -1182 2.91134227 0.04811793 0.81711629 -1183 2.91372274 0.04618739 0.80489517 -1184 2.91610322 0.04428574 0.79283854 -1185 2.91848370 0.04241259 0.78094417 -1186 2.92086417 0.04056757 0.76920988 -1187 2.92324465 0.03875029 0.75763350 -1188 2.92562513 0.03696039 0.74621290 -1189 2.92800560 0.03519749 0.73494599 -1190 2.93038608 0.03346123 0.72383069 -1191 2.93276655 0.03175125 0.71286496 -1192 2.93514703 0.03006719 0.70204678 -1193 2.93752751 0.02840872 0.69137417 -1194 2.93990798 0.02677548 0.68084518 -1195 2.94228846 0.02516714 0.67045786 -1196 2.94466893 0.02358335 0.66021032 -1197 2.94704941 0.02202380 0.65010067 -1198 2.94942989 0.02048815 0.64012708 -1199 2.95181036 0.01897608 0.63028770 -1200 2.95419084 0.01748727 0.62058074 -1201 2.95657131 0.01602142 0.61100443 -1202 2.95895179 0.01457821 0.60155701 -1203 2.96133227 0.01315733 0.59223675 -1204 2.96371274 0.01175850 0.58304196 -1205 2.96609322 0.01038140 0.57397094 -1206 2.96847369 0.00902575 0.56502206 -1207 2.97085417 0.00769126 0.55619367 -1208 2.97323465 0.00637764 0.54748416 -1209 2.97561512 0.00508462 0.53889194 -1210 2.97799560 0.00381191 0.53041545 -1211 2.98037608 0.00255925 0.52205315 -1212 2.98275655 0.00132635 0.51380349 -1213 2.98513703 0.00011297 0.50566500 -1214 2.98751750 -0.00108118 0.49763617 -1215 2.98989798 -0.00225634 0.48971556 -1216 2.99227846 -0.00341278 0.48190171 -1217 2.99465893 -0.00455074 0.47419321 -1218 2.99703941 -0.00567047 0.46658865 -1219 2.99941988 -0.00677222 0.45908665 -1220 3.00180036 -0.00785624 0.45168585 -1221 3.00418084 -0.00892276 0.44438489 -1222 3.00656131 -0.00997201 0.43718246 -1223 3.00894179 -0.01100424 0.43007724 -1224 3.01132226 -0.01201967 0.42306794 -1225 3.01370274 -0.01301852 0.41615328 -1226 3.01608322 -0.01400103 0.40933202 -1227 3.01846369 -0.01496740 0.40260291 -1228 3.02084417 -0.01591787 0.39596473 -1229 3.02322464 -0.01685264 0.38941627 -1230 3.02560512 -0.01777193 0.38295634 -1231 3.02798560 -0.01867595 0.37658378 -1232 3.03036607 -0.01956490 0.37029742 -1233 3.03274655 -0.02043899 0.36409612 -1234 3.03512703 -0.02129841 0.35797876 -1235 3.03750750 -0.02214337 0.35194422 -1236 3.03988798 -0.02297407 0.34599142 -1237 3.04226845 -0.02379068 0.34011926 -1238 3.04464893 -0.02459342 0.33432668 -1239 3.04702941 -0.02538246 0.32861264 -1240 3.04940988 -0.02615799 0.32297609 -1241 3.05179036 -0.02692019 0.31741601 -1242 3.05417083 -0.02766925 0.31193140 -1243 3.05655131 -0.02840534 0.30652124 -1244 3.05893179 -0.02912864 0.30118457 -1245 3.06131226 -0.02983933 0.29592042 -1246 3.06369274 -0.03053756 0.29072782 -1247 3.06607321 -0.03122352 0.28560583 -1248 3.06845369 -0.03189738 0.28055353 -1249 3.07083417 -0.03255928 0.27556999 -1250 3.07321464 -0.03320940 0.27065431 -1251 3.07559512 -0.03384791 0.26580560 -1252 3.07797560 -0.03447494 0.26102297 -1253 3.08035607 -0.03509068 0.25630556 -1254 3.08273655 -0.03569525 0.25165250 -1255 3.08511702 -0.03628883 0.24706296 -1256 3.08749750 -0.03687156 0.24253609 -1257 3.08987798 -0.03744358 0.23807107 -1258 3.09225845 -0.03800505 0.23366709 -1259 3.09463893 -0.03855611 0.22932335 -1260 3.09701940 -0.03909690 0.22503905 -1261 3.09939988 -0.03962756 0.22081342 -1262 3.10178036 -0.04014823 0.21664568 -1263 3.10416083 -0.04065904 0.21253508 -1264 3.10654131 -0.04116014 0.20848086 -1265 3.10892178 -0.04165165 0.20448229 -1266 3.11130226 -0.04213371 0.20053864 -1267 3.11368274 -0.04260645 0.19664918 -1268 3.11606321 -0.04306999 0.19281320 -1269 3.11844369 -0.04352447 0.18903001 -1270 3.12082416 -0.04397000 0.18529891 -1271 3.12320464 -0.04440671 0.18161922 -1272 3.12558512 -0.04483472 0.17799026 -1273 3.12796559 -0.04525415 0.17441138 -1274 3.13034607 -0.04566512 0.17088192 -1275 3.13272655 -0.04606775 0.16740122 -1276 3.13510702 -0.04646215 0.16396865 -1277 3.13748750 -0.04684843 0.16058359 -1278 3.13986797 -0.04722672 0.15724540 -1279 3.14224845 -0.04759711 0.15395348 -1280 3.14462893 -0.04795972 0.15070722 -1281 3.14700940 -0.04831465 0.14750603 -1282 3.14938988 -0.04866202 0.14434930 -1283 3.15177035 -0.04900193 0.14123648 -1284 3.15415083 -0.04933448 0.13816697 -1285 3.15653131 -0.04965977 0.13514021 -1286 3.15891178 -0.04997791 0.13215565 -1287 3.16129226 -0.05028899 0.12921274 -1288 3.16367273 -0.05059311 0.12631092 -1289 3.16605321 -0.05089038 0.12344966 -1290 3.16843369 -0.05118088 0.12062844 -1291 3.17081416 -0.05146472 0.11784673 -1292 3.17319464 -0.05174198 0.11510401 -1293 3.17557512 -0.05201275 0.11239977 -1294 3.17795559 -0.05227714 0.10973352 -1295 3.18033607 -0.05253522 0.10710476 -1296 3.18271654 -0.05278709 0.10451299 -1297 3.18509702 -0.05303283 0.10195774 -1298 3.18747750 -0.05327253 0.09943852 -1299 3.18985797 -0.05350628 0.09695488 -1300 3.19223845 -0.05373416 0.09450634 -1301 3.19461892 -0.05395625 0.09209244 -1302 3.19699940 -0.05417263 0.08971274 -1303 3.19937988 -0.05438339 0.08736678 -1304 3.20176035 -0.05458861 0.08505414 -1305 3.20414083 -0.05478836 0.08277436 -1306 3.20652130 -0.05498272 0.08052704 -1307 3.20890178 -0.05517177 0.07831173 -1308 3.21128226 -0.05535558 0.07612803 -1309 3.21366273 -0.05553424 0.07397552 -1310 3.21604321 -0.05570780 0.07185379 -1311 3.21842368 -0.05587635 0.06976245 -1312 3.22080416 -0.05603996 0.06770110 -1313 3.22318464 -0.05619870 0.06566934 -1314 3.22556511 -0.05635263 0.06366679 -1315 3.22794559 -0.05650183 0.06169308 -1316 3.23032607 -0.05664637 0.05974781 -1317 3.23270654 -0.05678631 0.05783063 -1318 3.23508702 -0.05692172 0.05594117 -1319 3.23746749 -0.05705267 0.05407906 -1320 3.23984797 -0.05717921 0.05224396 -1321 3.24222845 -0.05730142 0.05043550 -1322 3.24460892 -0.05741935 0.04865333 -1323 3.24698940 -0.05753308 0.04689713 -1324 3.24936987 -0.05764265 0.04516654 -1325 3.25175035 -0.05774813 0.04346124 -1326 3.25413083 -0.05784959 0.04178089 -1327 3.25651130 -0.05794707 0.04012517 -1328 3.25889178 -0.05804064 0.03849375 -1329 3.26127225 -0.05813036 0.03688633 -1330 3.26365273 -0.05821627 0.03530258 -1331 3.26603321 -0.05829845 0.03374221 -1332 3.26841368 -0.05837694 0.03220489 -1333 3.27079416 -0.05845179 0.03069034 -1334 3.27317463 -0.05852307 0.02919826 -1335 3.27555511 -0.05859082 0.02772834 -1336 3.27793559 -0.05865510 0.02628031 -1337 3.28031606 -0.05871596 0.02485388 -1338 3.28269654 -0.05877344 0.02344876 -1339 3.28507702 -0.05882761 0.02206468 -1340 3.28745749 -0.05887851 0.02070137 -1341 3.28983797 -0.05892619 0.01935854 -1342 3.29221844 -0.05897069 0.01803594 -1343 3.29459892 -0.05901207 0.01673329 -1344 3.29697940 -0.05905037 0.01545035 -1345 3.29935987 -0.05908564 0.01418685 -1346 3.30174035 -0.05911793 0.01294253 -1347 3.30412082 -0.05914728 0.01171715 -1348 3.30650130 -0.05917373 0.01051046 -1349 3.30888178 -0.05919733 0.00932221 -1350 3.31126225 -0.05921813 0.00815216 -1351 3.31364273 -0.05923616 0.00700008 -1352 3.31602320 -0.05925147 0.00586573 -1353 3.31840368 -0.05926410 0.00474888 -1354 3.32078416 -0.05927409 0.00364929 -1355 3.32316463 -0.05928149 0.00256675 -1356 3.32554511 -0.05928633 0.00150103 -1357 3.32792559 -0.05928865 0.00045190 -1358 3.33030606 -0.05928849 -0.00058084 -1359 3.33268654 -0.05928589 -0.00159742 -1360 3.33506701 -0.05928090 -0.00259804 -1361 3.33744749 -0.05927354 -0.00358292 -1362 3.33982797 -0.05926385 -0.00455226 -1363 3.34220844 -0.05925188 -0.00550627 -1364 3.34458892 -0.05923765 -0.00644514 -1365 3.34696939 -0.05922120 -0.00736907 -1366 3.34934987 -0.05920258 -0.00827827 -1367 3.35173035 -0.05918180 -0.00917292 -1368 3.35411082 -0.05915892 -0.01005322 -1369 3.35649130 -0.05913395 -0.01091936 -1370 3.35887177 -0.05910694 -0.01177151 -1371 3.36125225 -0.05907792 -0.01260988 -1372 3.36363273 -0.05904692 -0.01343462 -1373 3.36601320 -0.05901397 -0.01424594 -1374 3.36839368 -0.05897910 -0.01504400 -1375 3.37077415 -0.05894235 -0.01582897 -1376 3.37315463 -0.05890375 -0.01660104 -1377 3.37553511 -0.05886333 -0.01736036 -1378 3.37791558 -0.05882111 -0.01810712 -1379 3.38029606 -0.05877713 -0.01884147 -1380 3.38267654 -0.05873142 -0.01956357 -1381 3.38505701 -0.05868400 -0.02027360 -1382 3.38743749 -0.05863490 -0.02097171 -1383 3.38981796 -0.05858416 -0.02165805 -1384 3.39219844 -0.05853180 -0.02233279 -1385 3.39457892 -0.05847785 -0.02299607 -1386 3.39695939 -0.05842233 -0.02364805 -1387 3.39933987 -0.05836527 -0.02428888 -1388 3.40172034 -0.05830670 -0.02491871 -1389 3.40410082 -0.05824664 -0.02553767 -1390 3.40648130 -0.05818512 -0.02614592 -1391 3.40886177 -0.05812217 -0.02674360 -1392 3.41124225 -0.05805781 -0.02733085 -1393 3.41362272 -0.05799206 -0.02790781 -1394 3.41600320 -0.05792495 -0.02847461 -1395 3.41838368 -0.05785650 -0.02903139 -1396 3.42076415 -0.05778674 -0.02957828 -1397 3.42314463 -0.05771568 -0.03011541 -1398 3.42552511 -0.05764337 -0.03064292 -1399 3.42790558 -0.05756980 -0.03116093 -1400 3.43028606 -0.05749502 -0.03166957 -1401 3.43266653 -0.05741903 -0.03216896 -1402 3.43504701 -0.05734187 -0.03265923 -1403 3.43742749 -0.05726355 -0.03314051 -1404 3.43980796 -0.05718410 -0.03361290 -1405 3.44218844 -0.05710353 -0.03407653 -1406 3.44456891 -0.05702187 -0.03453151 -1407 3.44694939 -0.05693913 -0.03497797 -1408 3.44932987 -0.05685534 -0.03541602 -1409 3.45171034 -0.05677052 -0.03584576 -1410 3.45409082 -0.05668469 -0.03626732 -1411 3.45647129 -0.05659786 -0.03668080 -1412 3.45885177 -0.05651006 -0.03708630 -1413 3.46123225 -0.05642130 -0.03748395 -1414 3.46361272 -0.05633161 -0.03787384 -1415 3.46599320 -0.05624099 -0.03825607 -1416 3.46837367 -0.05614948 -0.03863076 -1417 3.47075415 -0.05605708 -0.03899800 -1418 3.47313463 -0.05596382 -0.03935789 -1419 3.47551510 -0.05586971 -0.03971054 -1420 3.47789558 -0.05577476 -0.04005603 -1421 3.48027606 -0.05567901 -0.04039448 -1422 3.48265653 -0.05558245 -0.04072597 -1423 3.48503701 -0.05548512 -0.04105059 -1424 3.48741748 -0.05538702 -0.04136845 -1425 3.48979796 -0.05528817 -0.04167963 -1426 3.49217844 -0.05518859 -0.04198423 -1427 3.49455891 -0.05508829 -0.04228233 -1428 3.49693939 -0.05498729 -0.04257402 -1429 3.49931986 -0.05488560 -0.04285939 -1430 3.50170034 -0.05478324 -0.04313853 -1431 3.50408082 -0.05468023 -0.04341152 -1432 3.50646129 -0.05457657 -0.04367845 -1433 3.50884177 -0.05447228 -0.04393939 -1434 3.51122224 -0.05436738 -0.04419444 -1435 3.51360272 -0.05426188 -0.04444367 -1436 3.51598320 -0.05415579 -0.04468716 -1437 3.51836367 -0.05404913 -0.04492499 -1438 3.52074415 -0.05394191 -0.04515724 -1439 3.52312462 -0.05383414 -0.04538399 -1440 3.52550510 -0.05372584 -0.04560531 -1441 3.52788558 -0.05361702 -0.04582127 -1442 3.53026605 -0.05350769 -0.04603196 -1443 3.53264653 -0.05339787 -0.04623744 -1444 3.53502701 -0.05328756 -0.04643779 -1445 3.53740748 -0.05317679 -0.04663308 -1446 3.53978796 -0.05306555 -0.04682337 -1447 3.54216843 -0.05295387 -0.04700874 -1448 3.54454891 -0.05284175 -0.04718926 -1449 3.54692939 -0.05272920 -0.04736500 -1450 3.54930986 -0.05261625 -0.04753601 -1451 3.55169034 -0.05250289 -0.04770237 -1452 3.55407081 -0.05238914 -0.04786414 -1453 3.55645129 -0.05227502 -0.04802139 -1454 3.55883177 -0.05216052 -0.04817418 -1455 3.56121224 -0.05204566 -0.04832258 -1456 3.56359272 -0.05193046 -0.04846664 -1457 3.56597319 -0.05181492 -0.04860642 -1458 3.56835367 -0.05169905 -0.04874199 -1459 3.57073415 -0.05158286 -0.04887341 -1460 3.57311462 -0.05146637 -0.04900073 -1461 3.57549510 -0.05134958 -0.04912402 -1462 3.57787558 -0.05123250 -0.04924333 -1463 3.58025605 -0.05111514 -0.04935871 -1464 3.58263653 -0.05099750 -0.04947023 -1465 3.58501700 -0.05087961 -0.04957793 -1466 3.58739748 -0.05076147 -0.04968188 -1467 3.58977796 -0.05064308 -0.04978213 -1468 3.59215843 -0.05052446 -0.04987873 -1469 3.59453891 -0.05040562 -0.04997172 -1470 3.59691938 -0.05028655 -0.05006118 -1471 3.59929986 -0.05016728 -0.05014713 -1472 3.60168034 -0.05004781 -0.05022965 -1473 3.60406081 -0.04992814 -0.05030877 -1474 3.60644129 -0.04980829 -0.05038454 -1475 3.60882176 -0.04968827 -0.05045702 -1476 3.61120224 -0.04956807 -0.05052625 -1477 3.61358272 -0.04944772 -0.05059228 -1478 3.61596319 -0.04932721 -0.05065516 -1479 3.61834367 -0.04920655 -0.05071492 -1480 3.62072414 -0.04908576 -0.05077163 -1481 3.62310462 -0.04896483 -0.05082532 -1482 3.62548510 -0.04884378 -0.05087603 -1483 3.62786557 -0.04872262 -0.05092382 -1484 3.63024605 -0.04860134 -0.05096871 -1485 3.63262653 -0.04847996 -0.05101077 -1486 3.63500700 -0.04835848 -0.05105003 -1487 3.63738748 -0.04823691 -0.05108652 -1488 3.63976795 -0.04811526 -0.05112030 -1489 3.64214843 -0.04799353 -0.05115140 -1490 3.64452891 -0.04787174 -0.05117986 -1491 3.64690938 -0.04774987 -0.05120573 -1492 3.64928986 -0.04762795 -0.05122903 -1493 3.65167033 -0.04750597 -0.05124982 -1494 3.65405081 -0.04738395 -0.05126812 -1495 3.65643129 -0.04726189 -0.05128398 -1496 3.65881176 -0.04713980 -0.05129744 -1497 3.66119224 -0.04701767 -0.05130852 -1498 3.66357271 -0.04689552 -0.05131726 -1499 3.66595319 -0.04677335 -0.05132371 -1500 3.66833367 -0.04665117 -0.05132790 -1501 3.67071414 -0.04652898 -0.05132985 -1502 3.67309462 -0.04640679 -0.05132961 -1503 3.67547510 -0.04628461 -0.05132722 -1504 3.67785557 -0.04616243 -0.05132269 -1505 3.68023605 -0.04604026 -0.05131607 -1506 3.68261652 -0.04591812 -0.05130739 -1507 3.68499700 -0.04579599 -0.05129668 -1508 3.68737748 -0.04567390 -0.05128397 -1509 3.68975795 -0.04555184 -0.05126929 -1510 3.69213843 -0.04542981 -0.05125269 -1511 3.69451890 -0.04530783 -0.05123417 -1512 3.69689938 -0.04518589 -0.05121378 -1513 3.69927986 -0.04506400 -0.05119155 -1514 3.70166033 -0.04494217 -0.05116750 -1515 3.70404081 -0.04482040 -0.05114167 -1516 3.70642128 -0.04469869 -0.05111408 -1517 3.70880176 -0.04457705 -0.05108476 -1518 3.71118224 -0.04445548 -0.05105374 -1519 3.71356271 -0.04433398 -0.05102105 -1520 3.71594319 -0.04421257 -0.05098671 -1521 3.71832366 -0.04409124 -0.05095075 -1522 3.72070414 -0.04397000 -0.05091319 -1523 3.72308462 -0.04384884 -0.05087407 -1524 3.72546509 -0.04372779 -0.05083341 -1525 3.72784557 -0.04360683 -0.05079124 -1526 3.73022605 -0.04348597 -0.05074757 -1527 3.73260652 -0.04336522 -0.05070244 -1528 3.73498700 -0.04324458 -0.05065587 -1529 3.73736747 -0.04312406 -0.05060788 -1530 3.73974795 -0.04300364 -0.05055850 -1531 3.74212843 -0.04288335 -0.05050775 -1532 3.74450890 -0.04276318 -0.05045565 -1533 3.74688938 -0.04264313 -0.05040223 -1534 3.74926985 -0.04252322 -0.05034751 -1535 3.75165033 -0.04240343 -0.05029151 -1536 3.75403081 -0.04228378 -0.05023426 -1537 3.75641128 -0.04216427 -0.05017577 -1538 3.75879176 -0.04204490 -0.05011607 -1539 3.76117223 -0.04192567 -0.05005517 -1540 3.76355271 -0.04180659 -0.04999311 -1541 3.76593319 -0.04168766 -0.04992990 -1542 3.76831366 -0.04156888 -0.04986556 -1543 3.77069414 -0.04145025 -0.04980011 -1544 3.77307461 -0.04133178 -0.04973357 -1545 3.77545509 -0.04121347 -0.04966596 -1546 3.77783557 -0.04109533 -0.04959730 -1547 3.78021604 -0.04097734 -0.04952761 -1548 3.78259652 -0.04085953 -0.04945690 -1549 3.78497700 -0.04074188 -0.04938521 -1550 3.78735747 -0.04062441 -0.04931253 -1551 3.78973795 -0.04050711 -0.04923891 -1552 3.79211842 -0.04038998 -0.04916434 -1553 3.79449890 -0.04027304 -0.04908885 -1554 3.79687938 -0.04015628 -0.04901245 -1555 3.79925985 -0.04003969 -0.04893517 -1556 3.80164033 -0.03992330 -0.04885702 -1557 3.80402080 -0.03980709 -0.04877801 -1558 3.80640128 -0.03969107 -0.04869817 -1559 3.80878176 -0.03957524 -0.04861751 -1560 3.81116223 -0.03945960 -0.04853604 -1561 3.81354271 -0.03934416 -0.04845378 -1562 3.81592318 -0.03922892 -0.04837075 -1563 3.81830366 -0.03911387 -0.04828697 -1564 3.82068414 -0.03899903 -0.04820244 -1565 3.82306461 -0.03888438 -0.04811718 -1566 3.82544509 -0.03876994 -0.04803121 -1567 3.82782557 -0.03865571 -0.04794454 -1568 3.83020604 -0.03854168 -0.04785719 -1569 3.83258652 -0.03842787 -0.04776917 -1570 3.83496699 -0.03831426 -0.04768050 -1571 3.83734747 -0.03820086 -0.04759118 -1572 3.83972795 -0.03808768 -0.04750124 -1573 3.84210842 -0.03797471 -0.04741068 -1574 3.84448890 -0.03786196 -0.04731952 -1575 3.84686937 -0.03774942 -0.04722778 -1576 3.84924985 -0.03763711 -0.04713546 -1577 3.85163033 -0.03752502 -0.04704258 -1578 3.85401080 -0.03741314 -0.04694915 -1579 3.85639128 -0.03730149 -0.04685518 -1580 3.85877175 -0.03719007 -0.04676068 -1581 3.86115223 -0.03707887 -0.04666568 -1582 3.86353271 -0.03696790 -0.04657017 -1583 3.86591318 -0.03685715 -0.04647418 -1584 3.86829366 -0.03674663 -0.04637771 -1585 3.87067413 -0.03663635 -0.04628077 -1586 3.87305461 -0.03652629 -0.04618338 -1587 3.87543509 -0.03641647 -0.04608554 -1588 3.87781556 -0.03630688 -0.04598728 -1589 3.88019604 -0.03619753 -0.04588859 -1590 3.88257652 -0.03608841 -0.04578949 -1591 3.88495699 -0.03597953 -0.04568999 -1592 3.88733747 -0.03587088 -0.04559010 -1593 3.88971794 -0.03576248 -0.04548984 -1594 3.89209842 -0.03565431 -0.04538920 -1595 3.89447890 -0.03554638 -0.04528820 -1596 3.89685937 -0.03543869 -0.04518686 -1597 3.89923985 -0.03533125 -0.04508517 -1598 3.90162032 -0.03522405 -0.04498316 -1599 3.90400080 -0.03511709 -0.04488082 -1600 3.90638128 -0.03501037 -0.04477817 -1601 3.90876175 -0.03490390 -0.04467522 -1602 3.91114223 -0.03479767 -0.04457198 -1603 3.91352270 -0.03469169 -0.04446845 -1604 3.91590318 -0.03458596 -0.04436465 -1605 3.91828366 -0.03448048 -0.04426058 -1606 3.92066413 -0.03437524 -0.04415625 -1607 3.92304461 -0.03427025 -0.04405167 -1608 3.92542509 -0.03416551 -0.04394686 -1609 3.92780556 -0.03406102 -0.04384180 -1610 3.93018604 -0.03395678 -0.04373653 -1611 3.93256651 -0.03385280 -0.04363103 -1612 3.93494699 -0.03374906 -0.04352533 -1613 3.93732747 -0.03364557 -0.04341942 -1614 3.93970794 -0.03354234 -0.04331332 -1615 3.94208842 -0.03343936 -0.04320704 -1616 3.94446889 -0.03333663 -0.04310057 -1617 3.94684937 -0.03323416 -0.04299394 -1618 3.94922985 -0.03313194 -0.04288713 -1619 3.95161032 -0.03302998 -0.04278018 -1620 3.95399080 -0.03292827 -0.04267307 -1621 3.95637127 -0.03282681 -0.04256581 -1622 3.95875175 -0.03272561 -0.04245843 -1623 3.96113223 -0.03262467 -0.04235091 -1624 3.96351270 -0.03252398 -0.04224326 -1625 3.96589318 -0.03242355 -0.04213550 -1626 3.96827365 -0.03232338 -0.04202764 -1627 3.97065413 -0.03222346 -0.04191966 -1628 3.97303461 -0.03212380 -0.04181159 -1629 3.97541508 -0.03202440 -0.04170343 -1630 3.97779556 -0.03192525 -0.04159518 -1631 3.98017604 -0.03182637 -0.04148685 -1632 3.98255651 -0.03172774 -0.04137845 -1633 3.98493699 -0.03162937 -0.04126997 -1634 3.98731746 -0.03153125 -0.04116144 -1635 3.98969794 -0.03143340 -0.04105285 -1636 3.99207842 -0.03133580 -0.04094421 -1637 3.99445889 -0.03123846 -0.04083552 -1638 3.99683937 -0.03114139 -0.04072680 -1639 3.99921984 -0.03104457 -0.04061803 -1640 4.00160032 -0.03094801 -0.04050924 -1641 4.00398080 -0.03085170 -0.04040042 -1642 4.00636127 -0.03075566 -0.04029159 -1643 4.00874175 -0.03065988 -0.04018274 -1644 4.01112222 -0.03056435 -0.04007387 -1645 4.01350270 -0.03046909 -0.03996501 -1646 4.01588318 -0.03037408 -0.03985614 -1647 4.01826365 -0.03027933 -0.03974728 -1648 4.02064413 -0.03018485 -0.03963842 -1649 4.02302460 -0.03009062 -0.03952958 -1650 4.02540508 -0.02999665 -0.03942076 -1651 4.02778556 -0.02990294 -0.03931196 -1652 4.03016603 -0.02980949 -0.03920319 -1653 4.03254651 -0.02971629 -0.03909445 -1654 4.03492699 -0.02962336 -0.03898574 -1655 4.03730746 -0.02953068 -0.03887707 -1656 4.03968794 -0.02943827 -0.03876845 -1657 4.04206841 -0.02934611 -0.03865987 -1658 4.04444889 -0.02925421 -0.03855135 -1659 4.04682937 -0.02916257 -0.03844288 -1660 4.04920984 -0.02907118 -0.03833446 -1661 4.05159032 -0.02898006 -0.03822612 -1662 4.05397079 -0.02888919 -0.03811783 -1663 4.05635127 -0.02879858 -0.03800962 -1664 4.05873175 -0.02870823 -0.03790148 -1665 4.06111222 -0.02861813 -0.03779342 -1666 4.06349270 -0.02852830 -0.03768544 -1667 4.06587317 -0.02843872 -0.03757754 -1668 4.06825365 -0.02834939 -0.03746973 -1669 4.07063413 -0.02826032 -0.03736202 -1670 4.07301460 -0.02817151 -0.03725439 -1671 4.07539508 -0.02808296 -0.03714686 -1672 4.07777556 -0.02799466 -0.03703944 -1673 4.08015603 -0.02790661 -0.03693211 -1674 4.08253651 -0.02781883 -0.03682489 -1675 4.08491698 -0.02773129 -0.03671778 -1676 4.08729746 -0.02764401 -0.03661079 -1677 4.08967794 -0.02755699 -0.03650391 -1678 4.09205841 -0.02747022 -0.03639714 -1679 4.09443889 -0.02738371 -0.03629050 -1680 4.09681936 -0.02729744 -0.03618398 -1681 4.09919984 -0.02721144 -0.03607759 -1682 4.10158032 -0.02712568 -0.03597132 -1683 4.10396079 -0.02704018 -0.03586519 -1684 4.10634127 -0.02695493 -0.03575919 -1685 4.10872174 -0.02686993 -0.03565333 -1686 4.11110222 -0.02678518 -0.03554761 -1687 4.11348270 -0.02670069 -0.03544202 -1688 4.11586317 -0.02661645 -0.03533658 -1689 4.11824365 -0.02653245 -0.03523129 -1690 4.12062412 -0.02644871 -0.03512615 -1691 4.12300460 -0.02636522 -0.03502115 -1692 4.12538508 -0.02628198 -0.03491631 -1693 4.12776555 -0.02619898 -0.03481163 -1694 4.13014603 -0.02611624 -0.03470710 -1695 4.13252651 -0.02603374 -0.03460273 -1696 4.13490698 -0.02595150 -0.03449852 -1697 4.13728746 -0.02586950 -0.03439447 -1698 4.13966793 -0.02578775 -0.03429059 -1699 4.14204841 -0.02570624 -0.03418688 -1700 4.14442889 -0.02562499 -0.03408333 -1701 4.14680936 -0.02554397 -0.03397996 -1702 4.14918984 -0.02546321 -0.03387676 -1703 4.15157031 -0.02538269 -0.03377373 -1704 4.15395079 -0.02530241 -0.03367088 -1705 4.15633127 -0.02522238 -0.03356821 -1706 4.15871174 -0.02514260 -0.03346571 -1707 4.16109222 -0.02506305 -0.03336340 -1708 4.16347269 -0.02498375 -0.03326127 -1709 4.16585317 -0.02490470 -0.03315933 -1710 4.16823365 -0.02482588 -0.03305757 -1711 4.17061412 -0.02474731 -0.03295600 -1712 4.17299460 -0.02466898 -0.03285461 -1713 4.17537508 -0.02459089 -0.03275342 -1714 4.17775555 -0.02451304 -0.03265242 -1715 4.18013603 -0.02443544 -0.03255162 -1716 4.18251650 -0.02435807 -0.03245101 -1717 4.18489698 -0.02428094 -0.03235059 -1718 4.18727746 -0.02420405 -0.03225037 -1719 4.18965793 -0.02412740 -0.03215035 -1720 4.19203841 -0.02405098 -0.03205053 -1721 4.19441888 -0.02397480 -0.03195091 -1722 4.19679936 -0.02389886 -0.03185150 -1723 4.19917984 -0.02382316 -0.03175229 -1724 4.20156031 -0.02374769 -0.03165328 -1725 4.20394079 -0.02367246 -0.03155448 -1726 4.20632126 -0.02359746 -0.03145588 -1727 4.20870174 -0.02352270 -0.03135749 -1728 4.21108222 -0.02344817 -0.03125931 -1729 4.21346269 -0.02337388 -0.03116135 -1730 4.21584317 -0.02329981 -0.03106359 -1731 4.21822364 -0.02322598 -0.03096604 -1732 4.22060412 -0.02315239 -0.03086871 -1733 4.22298460 -0.02307902 -0.03077159 -1734 4.22536507 -0.02300588 -0.03067469 -1735 4.22774555 -0.02293298 -0.03057800 -1736 4.23012603 -0.02286030 -0.03048153 -1737 4.23250650 -0.02278786 -0.03038527 -1738 4.23488698 -0.02271564 -0.03028923 -1739 4.23726745 -0.02264365 -0.03019342 -1740 4.23964793 -0.02257189 -0.03009782 -1741 4.24202841 -0.02250036 -0.03000244 -1742 4.24440888 -0.02242905 -0.02990728 -1743 4.24678936 -0.02235797 -0.02981235 -1744 4.24916983 -0.02228712 -0.02971764 -1745 4.25155031 -0.02221649 -0.02962315 -1746 4.25393079 -0.02214608 -0.02952888 -1747 4.25631126 -0.02207590 -0.02943484 -1748 4.25869174 -0.02200594 -0.02934102 -1749 4.26107221 -0.02193621 -0.02924743 -1750 4.26345269 -0.02186670 -0.02915407 -1751 4.26583317 -0.02179741 -0.02906093 -1752 4.26821364 -0.02172834 -0.02896802 -1753 4.27059412 -0.02165949 -0.02887534 -1754 4.27297459 -0.02159086 -0.02878288 -1755 4.27535507 -0.02152246 -0.02869066 -1756 4.27773555 -0.02145427 -0.02859866 -1757 4.28011602 -0.02138630 -0.02850690 -1758 4.28249650 -0.02131855 -0.02841536 -1759 4.28487698 -0.02125102 -0.02832405 -1760 4.28725745 -0.02118370 -0.02823298 -1761 4.28963793 -0.02111660 -0.02814213 -1762 4.29201840 -0.02104972 -0.02805152 -1763 4.29439888 -0.02098305 -0.02796114 -1764 4.29677936 -0.02091659 -0.02787099 -1765 4.29915983 -0.02085036 -0.02778108 -1766 4.30154031 -0.02078433 -0.02769139 -1767 4.30392078 -0.02071852 -0.02760194 -1768 4.30630126 -0.02065292 -0.02751273 -1769 4.30868174 -0.02058753 -0.02742374 -1770 4.31106221 -0.02052235 -0.02733499 -1771 4.31344269 -0.02045739 -0.02724648 -1772 4.31582316 -0.02039264 -0.02715820 -1773 4.31820364 -0.02032809 -0.02707015 -1774 4.32058412 -0.02026376 -0.02698234 -1775 4.32296459 -0.02019963 -0.02689477 -1776 4.32534507 -0.02013571 -0.02680743 -1777 4.32772555 -0.02007200 -0.02672032 -1778 4.33010602 -0.02000850 -0.02663345 -1779 4.33248650 -0.01994520 -0.02654682 -1780 4.33486697 -0.01988211 -0.02646042 -1781 4.33724745 -0.01981922 -0.02637425 -1782 4.33962793 -0.01975654 -0.02628833 -1783 4.34200840 -0.01969406 -0.02620263 -1784 4.34438888 -0.01963179 -0.02611718 -1785 4.34676935 -0.01956972 -0.02603196 -1786 4.34914983 -0.01950785 -0.02594698 -1787 4.35153031 -0.01944619 -0.02586223 -1788 4.35391078 -0.01938473 -0.02577772 -1789 4.35629126 -0.01932346 -0.02569344 -1790 4.35867173 -0.01926240 -0.02560940 -1791 4.36105221 -0.01920154 -0.02552560 -1792 4.36343269 -0.01914087 -0.02544203 -1793 4.36581316 -0.01908041 -0.02535870 -1794 4.36819364 -0.01902014 -0.02527561 -1795 4.37057411 -0.01896007 -0.02519275 -1796 4.37295459 -0.01890020 -0.02511012 -1797 4.37533507 -0.01884052 -0.02502774 -1798 4.37771554 -0.01878104 -0.02494558 -1799 4.38009602 -0.01872176 -0.02486367 -1800 4.38247650 -0.01866267 -0.02478199 -1801 4.38485697 -0.01860377 -0.02470054 -1802 4.38723745 -0.01854507 -0.02461933 -1803 4.38961792 -0.01848656 -0.02453836 -1804 4.39199840 -0.01842824 -0.02445762 -1805 4.39437888 -0.01837012 -0.02437712 -1806 4.39675935 -0.01831219 -0.02429685 -1807 4.39913983 -0.01825444 -0.02421681 -1808 4.40152030 -0.01819689 -0.02413701 -1809 4.40390078 -0.01813953 -0.02405745 -1810 4.40628126 -0.01808235 -0.02397811 -1811 4.40866173 -0.01802537 -0.02389902 -1812 4.41104221 -0.01796857 -0.02382015 -1813 4.41342268 -0.01791196 -0.02374152 -1814 4.41580316 -0.01785554 -0.02366313 -1815 4.41818364 -0.01779930 -0.02358496 -1816 4.42056411 -0.01774325 -0.02350703 -1817 4.42294459 -0.01768739 -0.02342933 -1818 4.42532507 -0.01763171 -0.02335187 -1819 4.42770554 -0.01757621 -0.02327463 -1820 4.43008602 -0.01752090 -0.02319763 -1821 4.43246649 -0.01746577 -0.02312086 -1822 4.43484697 -0.01741082 -0.02304432 -1823 4.43722745 -0.01735605 -0.02296802 -1824 4.43960792 -0.01730147 -0.02289194 -1825 4.44198840 -0.01724707 -0.02281610 -1826 4.44436887 -0.01719284 -0.02274048 -1827 4.44674935 -0.01713880 -0.02266510 -1828 4.44912983 -0.01708494 -0.02258994 -1829 4.45151030 -0.01703125 -0.02251501 -1830 4.45389078 -0.01697774 -0.02244032 -1831 4.45627125 -0.01692441 -0.02236585 -1832 4.45865173 -0.01687126 -0.02229161 -1833 4.46103221 -0.01681828 -0.02221760 -1834 4.46341268 -0.01676548 -0.02214382 -1835 4.46579316 -0.01671286 -0.02207026 -1836 4.46817363 -0.01666041 -0.02199693 -1837 4.47055411 -0.01660813 -0.02192383 -1838 4.47293459 -0.01655603 -0.02185096 -1839 4.47531506 -0.01650410 -0.02177831 -1840 4.47769554 -0.01645234 -0.02170589 -1841 4.48007602 -0.01640076 -0.02163369 -1842 4.48245649 -0.01634935 -0.02156172 -1843 4.48483697 -0.01629810 -0.02148997 -1844 4.48721744 -0.01624703 -0.02141845 -1845 4.48959792 -0.01619613 -0.02134715 -1846 4.49197840 -0.01614540 -0.02127607 -1847 4.49435887 -0.01609484 -0.02120522 -1848 4.49673935 -0.01604444 -0.02113459 -1849 4.49911982 -0.01599422 -0.02106418 -1850 4.50150030 -0.01594416 -0.02099400 -1851 4.50388078 -0.01589426 -0.02092403 -1852 4.50626125 -0.01584454 -0.02085429 -1853 4.50864173 -0.01579498 -0.02078477 -1854 4.51102220 -0.01574558 -0.02071547 -1855 4.51340268 -0.01569635 -0.02064639 -1856 4.51578316 -0.01564729 -0.02057753 -1857 4.51816363 -0.01559838 -0.02050889 -1858 4.52054411 -0.01554964 -0.02044046 -1859 4.52292458 -0.01550107 -0.02037226 -1860 4.52530506 -0.01545265 -0.02030427 -1861 4.52768554 -0.01540440 -0.02023650 -1862 4.53006601 -0.01535631 -0.02016895 -1863 4.53244649 -0.01530838 -0.02010161 -1864 4.53482697 -0.01526060 -0.02003449 -1865 4.53720744 -0.01521299 -0.01996759 -1866 4.53958792 -0.01516554 -0.01990090 -1867 4.54196839 -0.01511825 -0.01983443 -1868 4.54434887 -0.01507111 -0.01976817 -1869 4.54672935 -0.01502413 -0.01970212 -1870 4.54910982 -0.01497731 -0.01963629 -1871 4.55149030 -0.01493064 -0.01957067 -1872 4.55387077 -0.01488413 -0.01950526 -1873 4.55625125 -0.01483778 -0.01944007 -1874 4.55863173 -0.01479158 -0.01937508 -1875 4.56101220 -0.01474553 -0.01931031 -1876 4.56339268 -0.01469964 -0.01924575 -1877 4.56577315 -0.01465391 -0.01918140 -1878 4.56815363 -0.01460832 -0.01911726 -1879 4.57053411 -0.01456289 -0.01905333 -1880 4.57291458 -0.01451761 -0.01898960 -1881 4.57529506 -0.01447248 -0.01892609 -1882 4.57767554 -0.01442750 -0.01886278 -1883 4.58005601 -0.01438268 -0.01879968 -1884 4.58243649 -0.01433800 -0.01873679 -1885 4.58481696 -0.01429347 -0.01867410 -1886 4.58719744 -0.01424909 -0.01861162 -1887 4.58957792 -0.01420486 -0.01854934 -1888 4.59195839 -0.01416078 -0.01848727 -1889 4.59433887 -0.01411684 -0.01842541 -1890 4.59671934 -0.01407306 -0.01836374 -1891 4.59909982 -0.01402942 -0.01830228 -1892 4.60148030 -0.01398592 -0.01824103 -1893 4.60386077 -0.01394257 -0.01817997 -1894 4.60624125 -0.01389937 -0.01811912 -1895 4.60862172 -0.01385631 -0.01805847 -1896 4.61100220 -0.01381339 -0.01799802 -1897 4.61338268 -0.01377062 -0.01793777 -1898 4.61576315 -0.01372799 -0.01787772 -1899 4.61814363 -0.01368550 -0.01781787 -1900 4.62052410 -0.01364316 -0.01775822 -1901 4.62290458 -0.01360096 -0.01769877 -1902 4.62528506 -0.01355890 -0.01763952 -1903 4.62766553 -0.01351698 -0.01758046 -1904 4.63004601 -0.01347520 -0.01752160 -1905 4.63242649 -0.01343356 -0.01746293 -1906 4.63480696 -0.01339206 -0.01740446 -1907 4.63718744 -0.01335069 -0.01734619 -1908 4.63956791 -0.01330947 -0.01728811 -1909 4.64194839 -0.01326839 -0.01723023 -1910 4.64432887 -0.01322744 -0.01717254 -1911 4.64670934 -0.01318663 -0.01711504 -1912 4.64908982 -0.01314595 -0.01705774 -1913 4.65147029 -0.01310542 -0.01700062 -1914 4.65385077 -0.01306502 -0.01694370 -1915 4.65623125 -0.01302475 -0.01688697 -1916 4.65861172 -0.01298462 -0.01683044 -1917 4.66099220 -0.01294462 -0.01677409 -1918 4.66337267 -0.01290476 -0.01671793 -1919 4.66575315 -0.01286503 -0.01666196 -1920 4.66813363 -0.01282543 -0.01660618 -1921 4.67051410 -0.01278596 -0.01655058 -1922 4.67289458 -0.01274663 -0.01649518 -1923 4.67527506 -0.01270743 -0.01643996 -1924 4.67765553 -0.01266836 -0.01638493 -1925 4.68003601 -0.01262942 -0.01633008 -1926 4.68241648 -0.01259062 -0.01627542 -1927 4.68479696 -0.01255194 -0.01622095 -1928 4.68717744 -0.01251339 -0.01616666 -1929 4.68955791 -0.01247497 -0.01611255 -1930 4.69193839 -0.01243668 -0.01605862 -1931 4.69431886 -0.01239851 -0.01600488 -1932 4.69669934 -0.01236048 -0.01595133 -1933 4.69907982 -0.01232257 -0.01589795 -1934 4.70146029 -0.01228479 -0.01584475 -1935 4.70384077 -0.01224713 -0.01579174 -1936 4.70622124 -0.01220961 -0.01573890 -1937 4.70860172 -0.01217220 -0.01568625 -1938 4.71098220 -0.01213492 -0.01563377 -1939 4.71336267 -0.01209777 -0.01558148 -1940 4.71574315 -0.01206074 -0.01552936 -1941 4.71812362 -0.01202384 -0.01547742 -1942 4.72050410 -0.01198705 -0.01542565 -1943 4.72288458 -0.01195039 -0.01537407 -1944 4.72526505 -0.01191386 -0.01532266 -1945 4.72764553 -0.01187744 -0.01527142 -1946 4.73002601 -0.01184115 -0.01522036 -1947 4.73240648 -0.01180498 -0.01516947 -1948 4.73478696 -0.01176893 -0.01511876 -1949 4.73716743 -0.01173300 -0.01506822 -1950 4.73954791 -0.01169719 -0.01501786 -1951 4.74192839 -0.01166150 -0.01496767 -1952 4.74430886 -0.01162593 -0.01491765 -1953 4.74668934 -0.01159048 -0.01486780 -1954 4.74906981 -0.01155515 -0.01481812 -1955 4.75145029 -0.01151993 -0.01476861 -1956 4.75383077 -0.01148483 -0.01471927 -1957 4.75621124 -0.01144985 -0.01467010 -1958 4.75859172 -0.01141499 -0.01462110 -1959 4.76097219 -0.01138024 -0.01457227 -1960 4.76335267 -0.01134561 -0.01452361 -1961 4.76573315 -0.01131110 -0.01447511 -1962 4.76811362 -0.01127670 -0.01442678 -1963 4.77049410 -0.01124241 -0.01437862 -1964 4.77287457 -0.01120824 -0.01433062 -1965 4.77525505 -0.01117418 -0.01428279 -1966 4.77763553 -0.01114024 -0.01423512 -1967 4.78001600 -0.01110641 -0.01418761 -1968 4.78239648 -0.01107269 -0.01414028 -1969 4.78477696 -0.01103909 -0.01409310 -1970 4.78715743 -0.01100560 -0.01404608 -1971 4.78953791 -0.01097222 -0.01399923 -1972 4.79191838 -0.01093895 -0.01395254 -1973 4.79429886 -0.01090579 -0.01390601 -1974 4.79667934 -0.01087274 -0.01385965 -1975 4.79905981 -0.01083980 -0.01381344 -1976 4.80144029 -0.01080698 -0.01376739 -1977 4.80382076 -0.01077426 -0.01372150 -1978 4.80620124 -0.01074165 -0.01367577 -1979 4.80858172 -0.01070915 -0.01363020 -1980 4.81096219 -0.01067675 -0.01358478 -1981 4.81334267 -0.01064447 -0.01353953 -1982 4.81572314 -0.01061229 -0.01349443 -1983 4.81810362 -0.01058022 -0.01344948 -1984 4.82048410 -0.01054826 -0.01340469 -1985 4.82286457 -0.01051640 -0.01336006 -1986 4.82524505 -0.01048465 -0.01331558 -1987 4.82762553 -0.01045301 -0.01327125 -1988 4.83000600 -0.01042147 -0.01322708 -1989 4.83238648 -0.01039004 -0.01318307 -1990 4.83476695 -0.01035871 -0.01313920 -1991 4.83714743 -0.01032748 -0.01309549 -1992 4.83952791 -0.01029636 -0.01305193 -1993 4.84190838 -0.01026534 -0.01300852 -1994 4.84428886 -0.01023443 -0.01296526 -1995 4.84666933 -0.01020361 -0.01292215 -1996 4.84904981 -0.01017290 -0.01287919 -1997 4.85143029 -0.01014230 -0.01283638 -1998 4.85381076 -0.01011179 -0.01279372 -1999 4.85619124 -0.01008139 -0.01275120 -2000 4.85857171 -0.01005108 -0.01270884 -2001 4.86095219 -0.01002088 -0.01266662 -2002 4.86333267 -0.00999078 -0.01262455 -2003 4.86571314 -0.00996078 -0.01258262 -2004 4.86809362 -0.00993087 -0.01254085 -2005 4.87047409 -0.00990107 -0.01249921 -2006 4.87285457 -0.00987136 -0.01245772 -2007 4.87523505 -0.00984176 -0.01241638 -2008 4.87761552 -0.00981225 -0.01237518 -2009 4.87999600 -0.00978284 -0.01233412 -2010 4.88237648 -0.00975353 -0.01229321 -2011 4.88475695 -0.00972431 -0.01225244 -2012 4.88713743 -0.00969519 -0.01221181 -2013 4.88951790 -0.00966617 -0.01217132 -2014 4.89189838 -0.00963725 -0.01213098 -2015 4.89427886 -0.00960842 -0.01209077 -2016 4.89665933 -0.00957968 -0.01205071 -2017 4.89903981 -0.00955104 -0.01201078 -2018 4.90142028 -0.00952250 -0.01197099 -2019 4.90380076 -0.00949405 -0.01193135 -2020 4.90618124 -0.00946570 -0.01189184 -2021 4.90856171 -0.00943743 -0.01185247 -2022 4.91094219 -0.00940927 -0.01181323 -2023 4.91332266 -0.00938119 -0.01177413 -2024 4.91570314 -0.00935321 -0.01173517 -2025 4.91808362 -0.00932532 -0.01169635 -2026 4.92046409 -0.00929752 -0.01165766 -2027 4.92284457 -0.00926982 -0.01161911 -2028 4.92522505 -0.00924221 -0.01158069 -2029 4.92760552 -0.00921468 -0.01154240 -2030 4.92998600 -0.00918725 -0.01150425 -2031 4.93236647 -0.00915991 -0.01146623 -2032 4.93474695 -0.00913266 -0.01142835 -2033 4.93712743 -0.00910550 -0.01139060 -2034 4.93950790 -0.00907843 -0.01135298 -2035 4.94188838 -0.00905145 -0.01131549 -2036 4.94426885 -0.00902456 -0.01127813 -2037 4.94664933 -0.00899776 -0.01124090 -2038 4.94902981 -0.00897104 -0.01120380 -2039 4.95141028 -0.00894442 -0.01116684 -2040 4.95379076 -0.00891788 -0.01113000 -2041 4.95617123 -0.00889143 -0.01109329 -2042 4.95855171 -0.00886506 -0.01105671 -2043 4.96093219 -0.00883879 -0.01102026 -2044 4.96331266 -0.00881260 -0.01098393 -2045 4.96569314 -0.00878649 -0.01094773 -2046 4.96807361 -0.00876047 -0.01091166 -2047 4.97045409 -0.00873454 -0.01087571 -2048 4.97283457 -0.00870870 -0.01083989 -2049 4.97521504 -0.00868293 -0.01080420 -2050 4.97759552 -0.00865726 -0.01076863 -2051 4.97997600 -0.00863167 -0.01073319 -2052 4.98235647 -0.00860616 -0.01069786 -2053 4.98473695 -0.00858073 -0.01066267 -2054 4.98711742 -0.00855539 -0.01062759 -2055 4.98949790 -0.00853014 -0.01059264 -2056 4.99187838 -0.00850496 -0.01055781 -2057 4.99425885 -0.00847987 -0.01052311 -2058 4.99663933 -0.00845486 -0.01048852 -2059 4.99901980 -0.00842993 -0.01045406 -2060 5.00140028 -0.00840509 -0.01041971 -2061 5.00378076 -0.00838033 -0.01038549 -2062 5.00616123 -0.00835565 -0.01035139 -2063 5.00854171 -0.00833104 -0.01031740 -2064 5.01092218 -0.00830652 -0.01028354 -2065 5.01330266 -0.00828208 -0.01024979 -2066 5.01568314 -0.00825773 -0.01021616 -2067 5.01806361 -0.00823345 -0.01018265 -2068 5.02044409 -0.00820925 -0.01014926 -2069 5.02282456 -0.00818513 -0.01011598 -2070 5.02520504 -0.00816108 -0.01008282 -2071 5.02758552 -0.00813712 -0.01004978 -2072 5.02996599 -0.00811324 -0.01001685 -2073 5.03234647 -0.00808943 -0.00998404 -2074 5.03472695 -0.00806570 -0.00995134 -2075 5.03710742 -0.00804205 -0.00991876 -2076 5.03948790 -0.00801848 -0.00988629 -2077 5.04186837 -0.00799499 -0.00985393 -2078 5.04424885 -0.00797157 -0.00982169 -2079 5.04662933 -0.00794823 -0.00978956 -2080 5.04900980 -0.00792496 -0.00975754 -2081 5.05139028 -0.00790177 -0.00972564 -2082 5.05377075 -0.00787866 -0.00969385 -2083 5.05615123 -0.00785562 -0.00966217 -2084 5.05853171 -0.00783266 -0.00963060 -2085 5.06091218 -0.00780977 -0.00959914 -2086 5.06329266 -0.00778695 -0.00956779 -2087 5.06567313 -0.00776422 -0.00953655 -2088 5.06805361 -0.00774155 -0.00950542 -2089 5.07043409 -0.00771896 -0.00947440 -2090 5.07281456 -0.00769644 -0.00944348 -2091 5.07519504 -0.00767400 -0.00941268 -2092 5.07757552 -0.00765163 -0.00938198 -2093 5.07995599 -0.00762933 -0.00935139 -2094 5.08233647 -0.00760711 -0.00932091 -2095 5.08471694 -0.00758496 -0.00929054 -2096 5.08709742 -0.00756288 -0.00926027 -2097 5.08947790 -0.00754087 -0.00923010 -2098 5.09185837 -0.00751893 -0.00920005 -2099 5.09423885 -0.00749707 -0.00917010 -2100 5.09661932 -0.00747527 -0.00914025 -2101 5.09899980 -0.00745355 -0.00911051 -2102 5.10138028 -0.00743190 -0.00908087 -2103 5.10376075 -0.00741032 -0.00905133 -2104 5.10614123 -0.00738881 -0.00902190 -2105 5.10852170 -0.00736736 -0.00899257 -2106 5.11090218 -0.00734599 -0.00896335 -2107 5.11328266 -0.00732469 -0.00893422 -2108 5.11566313 -0.00730346 -0.00890520 -2109 5.11804361 -0.00728229 -0.00887628 -2110 5.12042408 -0.00726120 -0.00884746 -2111 5.12280456 -0.00724017 -0.00881874 -2112 5.12518504 -0.00721921 -0.00879013 -2113 5.12756551 -0.00719832 -0.00876161 -2114 5.12994599 -0.00717750 -0.00873319 -2115 5.13232647 -0.00715674 -0.00870487 -2116 5.13470694 -0.00713605 -0.00867665 -2117 5.13708742 -0.00711543 -0.00864853 -2118 5.13946789 -0.00709488 -0.00862051 -2119 5.14184837 -0.00707439 -0.00859259 -2120 5.14422885 -0.00705397 -0.00856476 -2121 5.14660932 -0.00703362 -0.00853703 -2122 5.14898980 -0.00701333 -0.00850940 -2123 5.15137027 -0.00699310 -0.00848186 -2124 5.15375075 -0.00697294 -0.00845443 -2125 5.15613123 -0.00695285 -0.00842708 -2126 5.15851170 -0.00693282 -0.00839983 -2127 5.16089218 -0.00691286 -0.00837268 -2128 5.16327265 -0.00689296 -0.00834562 -2129 5.16565313 -0.00687313 -0.00831866 -2130 5.16803361 -0.00685336 -0.00829179 -2131 5.17041408 -0.00683365 -0.00826502 -2132 5.17279456 -0.00681401 -0.00823833 -2133 5.17517504 -0.00679443 -0.00821175 -2134 5.17755551 -0.00677491 -0.00818525 -2135 5.17993599 -0.00675546 -0.00815885 -2136 5.18231646 -0.00673607 -0.00813254 -2137 5.18469694 -0.00671674 -0.00810632 -2138 5.18707742 -0.00669747 -0.00808019 -2139 5.18945789 -0.00667827 -0.00805415 -2140 5.19183837 -0.00665913 -0.00802821 -2141 5.19421884 -0.00664005 -0.00800235 -2142 5.19659932 -0.00662103 -0.00797659 -2143 5.19897980 -0.00660207 -0.00795091 -2144 5.20136027 -0.00658317 -0.00792533 -2145 5.20374075 -0.00656434 -0.00789983 -2146 5.20612122 -0.00654556 -0.00787443 -2147 5.20850170 -0.00652685 -0.00784911 -2148 5.21088218 -0.00650819 -0.00782388 -2149 5.21326265 -0.00648960 -0.00779874 -2150 5.21564313 -0.00647107 -0.00777368 -2151 5.21802360 -0.00645259 -0.00774871 -2152 5.22040408 -0.00643417 -0.00772383 -2153 5.22278456 -0.00641582 -0.00769904 -2154 5.22516503 -0.00639752 -0.00767433 -2155 5.22754551 -0.00637928 -0.00764971 -2156 5.22992599 -0.00636110 -0.00762518 -2157 5.23230646 -0.00634298 -0.00760073 -2158 5.23468694 -0.00632491 -0.00757637 -2159 5.23706741 -0.00630691 -0.00755209 -2160 5.23944789 -0.00628896 -0.00752789 -2161 5.24182837 -0.00627107 -0.00750378 -2162 5.24420884 -0.00625323 -0.00747975 -2163 5.24658932 -0.00623546 -0.00745581 -2164 5.24896979 -0.00621774 -0.00743195 -2165 5.25135027 -0.00620007 -0.00740817 -2166 5.25373075 -0.00618247 -0.00738448 -2167 5.25611122 -0.00616491 -0.00736087 -2168 5.25849170 -0.00614742 -0.00733734 -2169 5.26087217 -0.00612998 -0.00731389 -2170 5.26325265 -0.00611260 -0.00729053 -2171 5.26563313 -0.00609527 -0.00726724 -2172 5.26801360 -0.00607800 -0.00724404 -2173 5.27039408 -0.00606078 -0.00722091 -2174 5.27277455 -0.00604362 -0.00719787 -2175 5.27515503 -0.00602651 -0.00717491 -2176 5.27753551 -0.00600946 -0.00715203 -2177 5.27991598 -0.00599246 -0.00712922 -2178 5.28229646 -0.00597552 -0.00710650 -2179 5.28467694 -0.00595863 -0.00708385 -2180 5.28705741 -0.00594179 -0.00706129 -2181 5.28943789 -0.00592501 -0.00703880 -2182 5.29181836 -0.00590828 -0.00701639 -2183 5.29419884 -0.00589161 -0.00699406 -2184 5.29657932 -0.00587498 -0.00697180 -2185 5.29895979 -0.00585841 -0.00694962 -2186 5.30134027 -0.00584190 -0.00692752 -2187 5.30372074 -0.00582543 -0.00690550 -2188 5.30610122 -0.00580902 -0.00688355 -2189 5.30848170 -0.00579266 -0.00686168 -2190 5.31086217 -0.00577635 -0.00683988 -2191 5.31324265 -0.00576010 -0.00681816 -2192 5.31562312 -0.00574389 -0.00679652 -2193 5.31800360 -0.00572774 -0.00677495 -2194 5.32038408 -0.00571164 -0.00675345 -2195 5.32276455 -0.00569559 -0.00673203 -2196 5.32514503 -0.00567959 -0.00671069 -2197 5.32752551 -0.00566364 -0.00668941 -2198 5.32990598 -0.00564774 -0.00666821 -2199 5.33228646 -0.00563189 -0.00664709 -2200 5.33466693 -0.00561609 -0.00662604 -2201 5.33704741 -0.00560034 -0.00660506 -2202 5.33942789 -0.00558464 -0.00658415 -2203 5.34180836 -0.00556900 -0.00656332 -2204 5.34418884 -0.00555340 -0.00654255 -2205 5.34656931 -0.00553785 -0.00652186 -2206 5.34894979 -0.00552235 -0.00650124 -2207 5.35133027 -0.00550689 -0.00648070 -2208 5.35371074 -0.00549149 -0.00646022 -2209 5.35609122 -0.00547614 -0.00643981 -2210 5.35847169 -0.00546083 -0.00641948 -2211 5.36085217 -0.00544557 -0.00639921 -2212 5.36323265 -0.00543037 -0.00637902 -2213 5.36561312 -0.00541520 -0.00635889 -2214 5.36799360 -0.00540009 -0.00633884 -2215 5.37037407 -0.00538503 -0.00631885 -2216 5.37275455 -0.00537001 -0.00629893 -2217 5.37513503 -0.00535504 -0.00627908 -2218 5.37751550 -0.00534011 -0.00625930 -2219 5.37989598 -0.00532524 -0.00623959 -2220 5.38227646 -0.00531041 -0.00621995 -2221 5.38465693 -0.00529562 -0.00620037 -2222 5.38703741 -0.00528089 -0.00618086 -2223 5.38941788 -0.00526620 -0.00616142 -2224 5.39179836 -0.00525155 -0.00614204 -2225 5.39417884 -0.00523695 -0.00612274 -2226 5.39655931 -0.00522240 -0.00610349 -2227 5.39893979 -0.00520790 -0.00608432 -2228 5.40132026 -0.00519344 -0.00606521 -2229 5.40370074 -0.00517902 -0.00604617 -2230 5.40608122 -0.00516465 -0.00602719 -2231 5.40846169 -0.00515032 -0.00600828 -2232 5.41084217 -0.00513604 -0.00598943 -2233 5.41322264 -0.00512181 -0.00597065 -2234 5.41560312 -0.00510762 -0.00595193 -2235 5.41798360 -0.00509347 -0.00593328 -2236 5.42036407 -0.00507937 -0.00591469 -2237 5.42274455 -0.00506531 -0.00589616 -2238 5.42512503 -0.00505130 -0.00587770 -2239 5.42750550 -0.00503733 -0.00585930 -2240 5.42988598 -0.00502340 -0.00584097 -2241 5.43226645 -0.00500952 -0.00582269 -2242 5.43464693 -0.00499568 -0.00580448 -2243 5.43702741 -0.00498189 -0.00578634 -2244 5.43940788 -0.00496813 -0.00576825 -2245 5.44178836 -0.00495442 -0.00575023 -2246 5.44416883 -0.00494076 -0.00573227 -2247 5.44654931 -0.00492713 -0.00571437 -2248 5.44892979 -0.00491355 -0.00569653 -2249 5.45131026 -0.00490001 -0.00567876 -2250 5.45369074 -0.00488651 -0.00566104 -2251 5.45607121 -0.00487306 -0.00564339 -2252 5.45845169 -0.00485965 -0.00562579 -2253 5.46083217 -0.00484628 -0.00560826 -2254 5.46321264 -0.00483295 -0.00559078 -2255 5.46559312 -0.00481966 -0.00557337 -2256 5.46797359 -0.00480641 -0.00555602 -2257 5.47035407 -0.00479321 -0.00553872 -2258 5.47273455 -0.00478004 -0.00552149 -2259 5.47511502 -0.00476692 -0.00550431 -2260 5.47749550 -0.00475384 -0.00548719 -2261 5.47987598 -0.00474079 -0.00547013 -2262 5.48225645 -0.00472779 -0.00545313 -2263 5.48463693 -0.00471483 -0.00543619 -2264 5.48701740 -0.00470191 -0.00541930 -2265 5.48939788 -0.00468903 -0.00540247 -2266 5.49177836 -0.00467619 -0.00538571 -2267 5.49415883 -0.00466339 -0.00536899 -2268 5.49653931 -0.00465063 -0.00535234 -2269 5.49891978 -0.00463791 -0.00533574 -2270 5.50130026 -0.00462523 -0.00531920 -2271 5.50368074 -0.00461258 -0.00530271 -2272 5.50606121 -0.00459998 -0.00528628 -2273 5.50844169 -0.00458741 -0.00526991 -2274 5.51082216 -0.00457489 -0.00525359 -2275 5.51320264 -0.00456240 -0.00523733 -2276 5.51558312 -0.00454995 -0.00522112 -2277 5.51796359 -0.00453755 -0.00520497 -2278 5.52034407 -0.00452517 -0.00518888 -2279 5.52272454 -0.00451284 -0.00517284 -2280 5.52510502 -0.00450055 -0.00515685 -2281 5.52748550 -0.00448829 -0.00514092 -2282 5.52986597 -0.00447607 -0.00512504 -2283 5.53224645 -0.00446389 -0.00510922 -2284 5.53462693 -0.00445175 -0.00509345 -2285 5.53700740 -0.00443964 -0.00507773 -2286 5.53938788 -0.00442757 -0.00506207 -2287 5.54176835 -0.00441554 -0.00504646 -2288 5.54414883 -0.00440355 -0.00503090 -2289 5.54652931 -0.00439159 -0.00501540 -2290 5.54890978 -0.00437967 -0.00499995 -2291 5.55129026 -0.00436778 -0.00498455 -2292 5.55367073 -0.00435594 -0.00496920 -2293 5.55605121 -0.00434412 -0.00495391 -2294 5.55843169 -0.00433235 -0.00493867 -2295 5.56081216 -0.00432061 -0.00492348 -2296 5.56319264 -0.00430891 -0.00490834 -2297 5.56557311 -0.00429724 -0.00489325 -2298 5.56795359 -0.00428561 -0.00487822 -2299 5.57033407 -0.00427402 -0.00486323 -2300 5.57271454 -0.00426246 -0.00484830 -2301 5.57509502 -0.00425094 -0.00483341 -2302 5.57747550 -0.00423945 -0.00481858 -2303 5.57985597 -0.00422800 -0.00480380 -2304 5.58223645 -0.00421658 -0.00478906 -2305 5.58461692 -0.00420519 -0.00477438 -2306 5.58699740 -0.00419385 -0.00475975 -2307 5.58937788 -0.00418253 -0.00474516 -2308 5.59175835 -0.00417126 -0.00473063 -2309 5.59413883 -0.00416001 -0.00471614 -2310 5.59651930 -0.00414880 -0.00470171 -2311 5.59889978 -0.00413763 -0.00468732 -2312 5.60128026 -0.00412649 -0.00467298 -2313 5.60366073 -0.00411538 -0.00465869 -2314 5.60604121 -0.00410431 -0.00464445 -2315 5.60842168 -0.00409327 -0.00463026 -2316 5.61080216 -0.00408226 -0.00461611 -2317 5.61318264 -0.00407129 -0.00460201 -2318 5.61556311 -0.00406035 -0.00458796 -2319 5.61794359 -0.00404945 -0.00457396 -2320 5.62032406 -0.00403857 -0.00456000 -2321 5.62270454 -0.00402774 -0.00454609 -2322 5.62508502 -0.00401693 -0.00453223 -2323 5.62746549 -0.00400616 -0.00451842 -2324 5.62984597 -0.00399542 -0.00450465 -2325 5.63222645 -0.00398471 -0.00449093 -2326 5.63460692 -0.00397404 -0.00447725 -2327 5.63698740 -0.00396340 -0.00446362 -2328 5.63936787 -0.00395279 -0.00445004 -2329 5.64174835 -0.00394221 -0.00443650 -2330 5.64412883 -0.00393166 -0.00442300 -2331 5.64650930 -0.00392115 -0.00440956 -2332 5.64888978 -0.00391067 -0.00439616 -2333 5.65127025 -0.00390022 -0.00438280 -2334 5.65365073 -0.00388980 -0.00436949 -2335 5.65603121 -0.00387942 -0.00435622 -2336 5.65841168 -0.00386906 -0.00434300 -2337 5.66079216 -0.00385874 -0.00432982 -2338 5.66317263 -0.00384845 -0.00431668 -2339 5.66555311 -0.00383819 -0.00430359 -2340 5.66793359 -0.00382796 -0.00429055 -2341 5.67031406 -0.00381776 -0.00427755 -2342 5.67269454 -0.00380760 -0.00426459 -2343 5.67507502 -0.00379746 -0.00425167 -2344 5.67745549 -0.00378735 -0.00423880 -2345 5.67983597 -0.00377728 -0.00422597 -2346 5.68221644 -0.00376723 -0.00421319 -2347 5.68459692 -0.00375722 -0.00420044 -2348 5.68697740 -0.00374724 -0.00418774 -2349 5.68935787 -0.00373728 -0.00417509 -2350 5.69173835 -0.00372736 -0.00416247 -2351 5.69411882 -0.00371747 -0.00414990 -2352 5.69649930 -0.00370760 -0.00413737 -2353 5.69887978 -0.00369777 -0.00412488 -2354 5.70126025 -0.00368796 -0.00411243 -2355 5.70364073 -0.00367819 -0.00410002 -2356 5.70602120 -0.00366844 -0.00408766 -2357 5.70840168 -0.00365873 -0.00407534 -2358 5.71078216 -0.00364904 -0.00406306 -2359 5.71316263 -0.00363938 -0.00405082 -2360 5.71554311 -0.00362975 -0.00403862 -2361 5.71792358 -0.00362016 -0.00402646 -2362 5.72030406 -0.00361059 -0.00401434 -2363 5.72268454 -0.00360104 -0.00400226 -2364 5.72506501 -0.00359153 -0.00399022 -2365 5.72744549 -0.00358205 -0.00397823 -2366 5.72982597 -0.00357259 -0.00396627 -2367 5.73220644 -0.00356316 -0.00395435 -2368 5.73458692 -0.00355376 -0.00394247 -2369 5.73696739 -0.00354439 -0.00393064 -2370 5.73934787 -0.00353505 -0.00391884 -2371 5.74172835 -0.00352574 -0.00390708 -2372 5.74410882 -0.00351645 -0.00389536 -2373 5.74648930 -0.00350719 -0.00388368 -2374 5.74886977 -0.00349796 -0.00387203 -2375 5.75125025 -0.00348876 -0.00386043 -2376 5.75363073 -0.00347958 -0.00384886 -2377 5.75601120 -0.00347043 -0.00383734 -2378 5.75839168 -0.00346131 -0.00382585 -2379 5.76077215 -0.00345222 -0.00381440 -2380 5.76315263 -0.00344315 -0.00380299 -2381 5.76553311 -0.00343411 -0.00379161 -2382 5.76791358 -0.00342510 -0.00378028 -2383 5.77029406 -0.00341611 -0.00376898 -2384 5.77267453 -0.00340715 -0.00375772 -2385 5.77505501 -0.00339822 -0.00374649 -2386 5.77743549 -0.00338932 -0.00373530 -2387 5.77981596 -0.00338044 -0.00372415 -2388 5.78219644 -0.00337159 -0.00371304 -2389 5.78457692 -0.00336276 -0.00370197 -2390 5.78695739 -0.00335396 -0.00369093 -2391 5.78933787 -0.00334519 -0.00367992 -2392 5.79171834 -0.00333644 -0.00366896 -2393 5.79409882 -0.00332772 -0.00365803 -2394 5.79647930 -0.00331903 -0.00364713 -2395 5.79885977 -0.00331036 -0.00363628 -2396 5.80124025 -0.00330171 -0.00362545 -2397 5.80362072 -0.00329310 -0.00361467 -2398 5.80600120 -0.00328450 -0.00360392 -2399 5.80838168 -0.00327594 -0.00359320 -2400 5.81076215 -0.00326740 -0.00358252 -2401 5.81314263 -0.00325888 -0.00357188 -2402 5.81552310 -0.00325039 -0.00356127 -2403 5.81790358 -0.00324193 -0.00355070 -2404 5.82028406 -0.00323349 -0.00354016 -2405 5.82266453 -0.00322507 -0.00352965 -2406 5.82504501 -0.00321668 -0.00351918 -2407 5.82742549 -0.00320832 -0.00350875 -2408 5.82980596 -0.00319998 -0.00349835 -2409 5.83218644 -0.00319166 -0.00348798 -2410 5.83456691 -0.00318337 -0.00347765 -2411 5.83694739 -0.00317511 -0.00346735 -2412 5.83932787 -0.00316686 -0.00345709 -2413 5.84170834 -0.00315865 -0.00344686 -2414 5.84408882 -0.00315045 -0.00343666 -2415 5.84646929 -0.00314228 -0.00342650 -2416 5.84884977 -0.00313414 -0.00341637 -2417 5.85123025 -0.00312602 -0.00340627 -2418 5.85361072 -0.00311792 -0.00339621 -2419 5.85599120 -0.00310985 -0.00338618 -2420 5.85837167 -0.00310180 -0.00337618 -2421 5.86075215 -0.00309378 -0.00336621 -2422 5.86313263 -0.00308577 -0.00335628 -2423 5.86551310 -0.00307780 -0.00334638 -2424 5.86789358 -0.00306984 -0.00333652 -2425 5.87027405 -0.00306191 -0.00332668 -2426 5.87265453 -0.00305400 -0.00331688 -2427 5.87503501 -0.00304612 -0.00330711 -2428 5.87741548 -0.00303826 -0.00329737 -2429 5.87979596 -0.00303042 -0.00328767 -2430 5.88217644 -0.00302261 -0.00327799 -2431 5.88455691 -0.00301482 -0.00326835 -2432 5.88693739 -0.00300705 -0.00325874 -2433 5.88931786 -0.00299930 -0.00324916 -2434 5.89169834 -0.00299158 -0.00323961 -2435 5.89407882 -0.00298388 -0.00323009 -2436 5.89645929 -0.00297620 -0.00322061 -2437 5.89883977 -0.00296854 -0.00321115 -2438 5.90122024 -0.00296091 -0.00320173 -2439 5.90360072 -0.00295330 -0.00319234 -2440 5.90598120 -0.00294571 -0.00318297 -2441 5.90836167 -0.00293815 -0.00317364 -2442 5.91074215 -0.00293060 -0.00316434 -2443 5.91312262 -0.00292308 -0.00315507 -2444 5.91550310 -0.00291558 -0.00314583 -2445 5.91788358 -0.00290810 -0.00313662 -2446 5.92026405 -0.00290065 -0.00312744 -2447 5.92264453 -0.00289321 -0.00311829 -2448 5.92502501 -0.00288580 -0.00310917 -2449 5.92740548 -0.00287841 -0.00310007 -2450 5.92978596 -0.00287104 -0.00309101 -2451 5.93216643 -0.00286370 -0.00308198 -2452 5.93454691 -0.00285637 -0.00307298 -2453 5.93692739 -0.00284907 -0.00306401 -2454 5.93930786 -0.00284178 -0.00305506 -2455 5.94168834 -0.00283452 -0.00304615 -2456 5.94406881 -0.00282728 -0.00303726 -2457 5.94644929 -0.00282006 -0.00302840 -2458 5.94882977 -0.00281286 -0.00301958 -2459 5.95121024 -0.00280568 -0.00301078 -2460 5.95359072 -0.00279853 -0.00300201 -2461 5.95597119 -0.00279139 -0.00299326 -2462 5.95835167 -0.00278428 -0.00298455 -2463 5.96073215 -0.00277718 -0.00297586 -2464 5.96311262 -0.00277011 -0.00296721 -2465 5.96549310 -0.00276306 -0.00295858 -2466 5.96787357 -0.00275602 -0.00294997 -2467 5.97025405 -0.00274901 -0.00294140 -2468 5.97263453 -0.00274202 -0.00293285 -2469 5.97501500 -0.00273505 -0.00292434 -2470 5.97739548 -0.00272810 -0.00291585 -2471 5.97977596 -0.00272117 -0.00290738 -2472 5.98215643 -0.00271425 -0.00289895 -2473 5.98453691 -0.00270736 -0.00289054 -2474 5.98691738 -0.00270049 -0.00288216 -2475 5.98929786 -0.00269364 -0.00287380 -2476 5.99167834 -0.00268681 -0.00286548 -2477 5.99405881 -0.00268000 -0.00285718 -2478 5.99643929 -0.00267321 -0.00284890 -2479 5.99881976 -0.00266644 -0.00284066 -2480 6.00120024 -0.00265968 -0.00283244 -2481 6.00358072 -0.00265295 -0.00282424 -2482 6.00596119 -0.00264624 -0.00281607 -2483 6.00834167 -0.00263954 -0.00280793 -2484 6.01072214 -0.00263287 -0.00279982 -2485 6.01310262 -0.00262621 -0.00279173 -2486 6.01548310 -0.00261958 -0.00278367 -2487 6.01786357 -0.00261296 -0.00277563 -2488 6.02024405 -0.00260636 -0.00276762 -2489 6.02262452 -0.00259978 -0.00275964 -2490 6.02500500 -0.00259322 -0.00275168 -2491 6.02738548 -0.00258668 -0.00274375 -2492 6.02976595 -0.00258016 -0.00273584 -2493 6.03214643 -0.00257366 -0.00272796 -2494 6.03452691 -0.00256717 -0.00272010 -2495 6.03690738 -0.00256071 -0.00271227 -2496 6.03928786 -0.00255426 -0.00270446 -2497 6.04166833 -0.00254783 -0.00269668 -2498 6.04404881 -0.00254142 -0.00268892 -2499 6.04642929 -0.00253503 -0.00268119 -2500 6.04880976 -0.00252866 -0.00267349 -2501 6.05119024 -0.00252230 -0.00266580 -2502 6.05357071 -0.00251597 -0.00265815 -2503 6.05595119 -0.00250965 -0.00265051 -2504 6.05833167 -0.00250335 -0.00264291 -2505 6.06071214 -0.00249706 -0.00263532 -2506 6.06309262 -0.00249080 -0.00262776 -2507 6.06547309 -0.00248455 -0.00262023 -2508 6.06785357 -0.00247832 -0.00261272 -2509 6.07023405 -0.00247211 -0.00260523 -2510 6.07261452 -0.00246592 -0.00259777 -2511 6.07499500 -0.00245975 -0.00259033 -2512 6.07737548 -0.00245359 -0.00258291 -2513 6.07975595 -0.00244745 -0.00257552 -2514 6.08213643 -0.00244133 -0.00256815 -2515 6.08451690 -0.00243522 -0.00256081 -2516 6.08689738 -0.00242914 -0.00255349 -2517 6.08927786 -0.00242307 -0.00254619 -2518 6.09165833 -0.00241701 -0.00253891 -2519 6.09403881 -0.00241098 -0.00253166 -2520 6.09641928 -0.00240496 -0.00252443 -2521 6.09879976 -0.00239896 -0.00251723 -2522 6.10118024 -0.00239298 -0.00251005 -2523 6.10356071 -0.00238701 -0.00250289 -2524 6.10594119 -0.00238106 -0.00249575 -2525 6.10832166 -0.00237513 -0.00248864 -2526 6.11070214 -0.00236921 -0.00248155 -2527 6.11308262 -0.00236331 -0.00247448 -2528 6.11546309 -0.00235743 -0.00246743 -2529 6.11784357 -0.00235156 -0.00246041 -2530 6.12022404 -0.00234572 -0.00245341 -2531 6.12260452 -0.00233988 -0.00244643 -2532 6.12498500 -0.00233407 -0.00243947 -2533 6.12736547 -0.00232827 -0.00243254 -2534 6.12974595 -0.00232249 -0.00242563 -2535 6.13212643 -0.00231672 -0.00241874 -2536 6.13450690 -0.00231097 -0.00241187 -2537 6.13688738 -0.00230524 -0.00240502 -2538 6.13926785 -0.00229952 -0.00239820 -2539 6.14164833 -0.00229382 -0.00239139 -2540 6.14402881 -0.00228814 -0.00238461 -2541 6.14640928 -0.00228247 -0.00237785 -2542 6.14878976 -0.00227682 -0.00237111 -2543 6.15117023 -0.00227118 -0.00236439 -2544 6.15355071 -0.00226556 -0.00235770 -2545 6.15593119 -0.00225995 -0.00235102 -2546 6.15831166 -0.00225437 -0.00234437 -2547 6.16069214 -0.00224879 -0.00233774 -2548 6.16307261 -0.00224324 -0.00233112 -2549 6.16545309 -0.00223769 -0.00232453 -2550 6.16783357 -0.00223217 -0.00231796 -2551 6.17021404 -0.00222666 -0.00231141 -2552 6.17259452 -0.00222116 -0.00230489 -2553 6.17497499 -0.00221569 -0.00229838 -2554 6.17735547 -0.00221022 -0.00229189 -2555 6.17973595 -0.00220477 -0.00228542 -2556 6.18211642 -0.00219934 -0.00227898 -2557 6.18449690 -0.00219392 -0.00227255 -2558 6.18687738 -0.00218852 -0.00226614 -2559 6.18925785 -0.00218313 -0.00225976 -2560 6.19163833 -0.00217776 -0.00225339 -2561 6.19401880 -0.00217241 -0.00224705 -2562 6.19639928 -0.00216706 -0.00224072 -2563 6.19877976 -0.00216174 -0.00223442 -2564 6.20116023 -0.00215643 -0.00222813 -2565 6.20354071 -0.00215113 -0.00222187 -2566 6.20592118 -0.00214585 -0.00221562 -2567 6.20830166 -0.00214058 -0.00220939 -2568 6.21068214 -0.00213533 -0.00220319 -2569 6.21306261 -0.00213009 -0.00219700 -2570 6.21544309 -0.00212487 -0.00219083 -2571 6.21782356 -0.00211966 -0.00218468 -2572 6.22020404 -0.00211447 -0.00217855 -2573 6.22258452 -0.00210929 -0.00217244 -2574 6.22496499 -0.00210413 -0.00216635 -2575 6.22734547 -0.00209898 -0.00216028 -2576 6.22972595 -0.00209384 -0.00215423 -2577 6.23210642 -0.00208872 -0.00214819 -2578 6.23448690 -0.00208361 -0.00214218 -2579 6.23686737 -0.00207852 -0.00213618 -2580 6.23924785 -0.00207344 -0.00213021 -2581 6.24162833 -0.00206838 -0.00212425 -2582 6.24400880 -0.00206333 -0.00211831 -2583 6.24638928 -0.00205829 -0.00211239 -2584 6.24876975 -0.00205327 -0.00210648 -2585 6.25115023 -0.00204827 -0.00210060 -2586 6.25353071 -0.00204327 -0.00209473 -2587 6.25591118 -0.00203829 -0.00208889 -2588 6.25829166 -0.00203333 -0.00208306 -2589 6.26067213 -0.00202838 -0.00207725 -2590 6.26305261 -0.00202344 -0.00207145 -2591 6.26543309 -0.00201851 -0.00206568 -2592 6.26781356 -0.00201360 -0.00205992 -2593 6.27019404 -0.00200871 -0.00205418 -2594 6.27257451 -0.00200382 -0.00204846 -2595 6.27495499 -0.00199895 -0.00204276 -2596 6.27733547 -0.00199410 -0.00203708 -2597 6.27971594 -0.00198925 -0.00203141 -2598 6.28209642 -0.00198443 -0.00202576 -2599 6.28447690 -0.00197961 -0.00202013 -2600 6.28685737 -0.00197481 -0.00201451 -2601 6.28923785 -0.00197002 -0.00200892 -2602 6.29161832 -0.00196524 -0.00200334 -2603 6.29399880 -0.00196048 -0.00199777 -2604 6.29637928 -0.00195573 -0.00199223 -2605 6.29875975 -0.00195100 -0.00198670 -2606 6.30114023 -0.00194627 -0.00198119 -2607 6.30352070 -0.00194156 -0.00197570 -2608 6.30590118 -0.00193687 -0.00197022 -2609 6.30828166 -0.00193218 -0.00196476 -2610 6.31066213 -0.00192751 -0.00195932 -2611 6.31304261 -0.00192286 -0.00195389 -2612 6.31542308 -0.00191821 -0.00194848 -2613 6.31780356 -0.00191358 -0.00194309 -2614 6.32018404 -0.00190896 -0.00193772 -2615 6.32256451 -0.00190435 -0.00193236 -2616 6.32494499 -0.00189976 -0.00192702 -2617 6.32732547 -0.00189518 -0.00192169 -2618 6.32970594 -0.00189061 -0.00191638 -2619 6.33208642 -0.00188606 -0.00191109 -2620 6.33446689 -0.00188151 -0.00190581 -2621 6.33684737 -0.00187698 -0.00190056 -2622 6.33922785 -0.00187246 -0.00189531 -2623 6.34160832 -0.00186796 -0.00189008 -2624 6.34398880 -0.00186347 -0.00188487 -2625 6.34636927 -0.00185898 -0.00187968 -2626 6.34874975 -0.00185452 -0.00187450 -2627 6.35113023 -0.00185006 -0.00186934 -2628 6.35351070 -0.00184562 -0.00186419 -2629 6.35589118 -0.00184118 -0.00185906 -2630 6.35827165 -0.00183677 -0.00185394 -2631 6.36065213 -0.00183236 -0.00184884 -2632 6.36303261 -0.00182796 -0.00184376 -2633 6.36541308 -0.00182358 -0.00183869 -2634 6.36779356 -0.00181921 -0.00183364 -2635 6.37017403 -0.00181485 -0.00182860 -2636 6.37255451 -0.00181050 -0.00182358 -2637 6.37493499 -0.00180617 -0.00181858 -2638 6.37731546 -0.00180185 -0.00181359 -2639 6.37969594 -0.00179753 -0.00180861 -2640 6.38207642 -0.00179323 -0.00180365 -2641 6.38445689 -0.00178895 -0.00179871 -2642 6.38683737 -0.00178467 -0.00179378 -2643 6.38921784 -0.00178041 -0.00178886 -2644 6.39159832 -0.00177615 -0.00178396 -2645 6.39397880 -0.00177191 -0.00177908 -2646 6.39635927 -0.00176768 -0.00177421 -2647 6.39873975 -0.00176347 -0.00176936 -2648 6.40112022 -0.00175926 -0.00176452 -2649 6.40350070 -0.00175507 -0.00175969 -2650 6.40588118 -0.00175088 -0.00175488 -2651 6.40826165 -0.00174671 -0.00175009 -2652 6.41064213 -0.00174255 -0.00174531 -2653 6.41302260 -0.00173840 -0.00174054 -2654 6.41540308 -0.00173426 -0.00173579 -2655 6.41778356 -0.00173014 -0.00173106 -2656 6.42016403 -0.00172602 -0.00172634 -2657 6.42254451 -0.00172192 -0.00172163 -2658 6.42492498 -0.00171783 -0.00171694 -2659 6.42730546 -0.00171374 -0.00171226 -2660 6.42968594 -0.00170967 -0.00170759 -2661 6.43206641 -0.00170561 -0.00170294 -2662 6.43444689 -0.00170157 -0.00169831 -2663 6.43682737 -0.00169753 -0.00169369 -2664 6.43920784 -0.00169350 -0.00168908 -2665 6.44158832 -0.00168949 -0.00168448 -2666 6.44396879 -0.00168548 -0.00167990 -2667 6.44634927 -0.00168149 -0.00167534 -2668 6.44872975 -0.00167751 -0.00167079 -2669 6.45111022 -0.00167353 -0.00166625 -2670 6.45349070 -0.00166957 -0.00166173 -2671 6.45587117 -0.00166562 -0.00165722 -2672 6.45825165 -0.00166168 -0.00165272 -2673 6.46063213 -0.00165775 -0.00164824 -2674 6.46301260 -0.00165384 -0.00164377 -2675 6.46539308 -0.00164993 -0.00163931 -2676 6.46777355 -0.00164603 -0.00163487 -2677 6.47015403 -0.00164214 -0.00163044 -2678 6.47253451 -0.00163827 -0.00162603 -2679 6.47491498 -0.00163440 -0.00162163 -2680 6.47729546 -0.00163055 -0.00161724 -2681 6.47967594 -0.00162670 -0.00161286 -2682 6.48205641 -0.00162287 -0.00160850 -2683 6.48443689 -0.00161905 -0.00160416 -2684 6.48681736 -0.00161523 -0.00159982 -2685 6.48919784 -0.00161143 -0.00159550 -2686 6.49157832 -0.00160764 -0.00159119 -2687 6.49395879 -0.00160385 -0.00158689 -2688 6.49633927 -0.00160008 -0.00158261 -2689 6.49871974 -0.00159632 -0.00157834 -2690 6.50110022 -0.00159257 -0.00157409 -2691 6.50348070 -0.00158882 -0.00156984 -2692 6.50586117 -0.00158509 -0.00156561 -2693 6.50824165 -0.00158137 -0.00156139 -2694 6.51062212 -0.00157766 -0.00155719 -2695 6.51300260 -0.00157396 -0.00155299 -2696 6.51538308 -0.00157027 -0.00154881 -2697 6.51776355 -0.00156658 -0.00154465 -2698 6.52014403 -0.00156291 -0.00154049 -2699 6.52252450 -0.00155925 -0.00153635 -2700 6.52490498 -0.00155560 -0.00153222 -2701 6.52728546 -0.00155195 -0.00152810 -2702 6.52966593 -0.00154832 -0.00152400 -2703 6.53204641 -0.00154470 -0.00151991 -2704 6.53442689 -0.00154109 -0.00151583 -2705 6.53680736 -0.00153748 -0.00151176 -2706 6.53918784 -0.00153389 -0.00150770 -2707 6.54156831 -0.00153030 -0.00150366 -2708 6.54394879 -0.00152673 -0.00149963 -2709 6.54632927 -0.00152316 -0.00149561 -2710 6.54870974 -0.00151961 -0.00149160 -2711 6.55109022 -0.00151606 -0.00148761 -2712 6.55347069 -0.00151253 -0.00148362 -2713 6.55585117 -0.00150900 -0.00147965 -2714 6.55823165 -0.00150548 -0.00147570 -2715 6.56061212 -0.00150197 -0.00147175 -2716 6.56299260 -0.00149847 -0.00146781 -2717 6.56537307 -0.00149499 -0.00146389 -2718 6.56775355 -0.00149151 -0.00145998 -2719 6.57013403 -0.00148803 -0.00145608 -2720 6.57251450 -0.00148457 -0.00145219 -2721 6.57489498 -0.00148112 -0.00144831 -2722 6.57727546 -0.00147768 -0.00144445 -2723 6.57965593 -0.00147424 -0.00144060 -2724 6.58203641 -0.00147082 -0.00143675 -2725 6.58441688 -0.00146740 -0.00143292 -2726 6.58679736 -0.00146400 -0.00142911 -2727 6.58917784 -0.00146060 -0.00142530 -2728 6.59155831 -0.00145721 -0.00142150 -2729 6.59393879 -0.00145383 -0.00141772 -2730 6.59631926 -0.00145046 -0.00141395 -2731 6.59869974 -0.00144710 -0.00141018 -2732 6.60108022 -0.00144375 -0.00140643 -2733 6.60346069 -0.00144040 -0.00140269 -2734 6.60584117 -0.00143707 -0.00139897 -2735 6.60822164 -0.00143374 -0.00139525 -2736 6.61060212 -0.00143043 -0.00139154 -2737 6.61298260 -0.00142712 -0.00138785 -2738 6.61536307 -0.00142382 -0.00138416 -2739 6.61774355 -0.00142053 -0.00138049 -2740 6.62012402 -0.00141725 -0.00137683 -2741 6.62250450 -0.00141397 -0.00137318 -2742 6.62488498 -0.00141071 -0.00136954 -2743 6.62726545 -0.00140745 -0.00136591 -2744 6.62964593 -0.00140421 -0.00136229 -2745 6.63202641 -0.00140097 -0.00135868 -2746 6.63440688 -0.00139774 -0.00135509 -2747 6.63678736 -0.00139452 -0.00135150 -2748 6.63916783 -0.00139130 -0.00134792 -2749 6.64154831 -0.00138810 -0.00134436 -2750 6.64392879 -0.00138490 -0.00134080 -2751 6.64630926 -0.00138171 -0.00133726 -2752 6.64868974 -0.00137854 -0.00133373 -2753 6.65107021 -0.00137537 -0.00133021 -2754 6.65345069 -0.00137220 -0.00132669 -2755 6.65583117 -0.00136905 -0.00132319 -2756 6.65821164 -0.00136590 -0.00131970 -2757 6.66059212 -0.00136277 -0.00131622 -2758 6.66297259 -0.00135964 -0.00131275 -2759 6.66535307 -0.00135652 -0.00130929 -2760 6.66773355 -0.00135340 -0.00130584 -2761 6.67011402 -0.00135030 -0.00130240 -2762 6.67249450 -0.00134720 -0.00129897 -2763 6.67487497 -0.00134411 -0.00129555 -2764 6.67725545 -0.00134103 -0.00129214 -2765 6.67963593 -0.00133796 -0.00128874 -2766 6.68201640 -0.00133490 -0.00128535 -2767 6.68439688 -0.00133184 -0.00128197 -2768 6.68677736 -0.00132880 -0.00127860 -2769 6.68915783 -0.00132576 -0.00127524 -2770 6.69153831 -0.00132272 -0.00127189 -2771 6.69391878 -0.00131970 -0.00126855 -2772 6.69629926 -0.00131668 -0.00126522 -2773 6.69867974 -0.00131368 -0.00126190 -2774 6.70106021 -0.00131068 -0.00125859 -2775 6.70344069 -0.00130768 -0.00125529 -2776 6.70582116 -0.00130470 -0.00125200 -2777 6.70820164 -0.00130172 -0.00124872 -2778 6.71058212 -0.00129876 -0.00124545 -2779 6.71296259 -0.00129579 -0.00124219 -2780 6.71534307 -0.00129284 -0.00123894 -2781 6.71772354 -0.00128990 -0.00123569 -2782 6.72010402 -0.00128696 -0.00123246 -2783 6.72248450 -0.00128403 -0.00122924 -2784 6.72486497 -0.00128111 -0.00122602 -2785 6.72724545 -0.00127819 -0.00122282 -2786 6.72962593 -0.00127528 -0.00121962 -2787 6.73200640 -0.00127238 -0.00121644 -2788 6.73438688 -0.00126949 -0.00121326 -2789 6.73676735 -0.00126661 -0.00121010 -2790 6.73914783 -0.00126373 -0.00120694 -2791 6.74152831 -0.00126086 -0.00120379 -2792 6.74390878 -0.00125800 -0.00120065 -2793 6.74628926 -0.00125515 -0.00119752 -2794 6.74866973 -0.00125230 -0.00119440 -2795 6.75105021 -0.00124946 -0.00119129 -2796 6.75343069 -0.00124663 -0.00118819 -2797 6.75581116 -0.00124380 -0.00118509 -2798 6.75819164 -0.00124098 -0.00118201 -2799 6.76057211 -0.00123817 -0.00117893 -2800 6.76295259 -0.00123537 -0.00117587 -2801 6.76533307 -0.00123258 -0.00117281 -2802 6.76771354 -0.00122979 -0.00116976 -2803 6.77009402 -0.00122701 -0.00116672 -2804 6.77247449 -0.00122423 -0.00116369 -2805 6.77485497 -0.00122147 -0.00116067 -2806 6.77723545 -0.00121871 -0.00115766 -2807 6.77961592 -0.00121596 -0.00115465 -2808 6.78199640 -0.00121321 -0.00115166 -2809 6.78437688 -0.00121047 -0.00114867 -2810 6.78675735 -0.00120774 -0.00114570 -2811 6.78913783 -0.00120502 -0.00114273 -2812 6.79151830 -0.00120230 -0.00113977 -2813 6.79389878 -0.00119959 -0.00113681 -2814 6.79627926 -0.00119689 -0.00113387 -2815 6.79865973 -0.00119419 -0.00113094 -2816 6.80104021 -0.00119150 -0.00112801 -2817 6.80342068 -0.00118882 -0.00112509 -2818 6.80580116 -0.00118615 -0.00112218 -2819 6.80818164 -0.00118348 -0.00111928 -2820 6.81056211 -0.00118082 -0.00111639 -2821 6.81294259 -0.00117816 -0.00111351 -2822 6.81532306 -0.00117552 -0.00111063 -2823 6.81770354 -0.00117288 -0.00110776 -2824 6.82008402 -0.00117024 -0.00110491 -2825 6.82246449 -0.00116762 -0.00110206 -2826 6.82484497 -0.00116500 -0.00109921 -2827 6.82722545 -0.00116238 -0.00109638 -2828 6.82960592 -0.00115978 -0.00109355 -2829 6.83198640 -0.00115718 -0.00109074 -2830 6.83436687 -0.00115458 -0.00108793 -2831 6.83674735 -0.00115200 -0.00108513 -2832 6.83912783 -0.00114942 -0.00108233 -2833 6.84150830 -0.00114684 -0.00107955 -2834 6.84388878 -0.00114428 -0.00107677 -2835 6.84626925 -0.00114172 -0.00107400 -2836 6.84864973 -0.00113916 -0.00107124 -2837 6.85103021 -0.00113662 -0.00106849 -2838 6.85341068 -0.00113408 -0.00106575 -2839 6.85579116 -0.00113154 -0.00106301 -2840 6.85817163 -0.00112902 -0.00106028 -2841 6.86055211 -0.00112650 -0.00105756 -2842 6.86293259 -0.00112398 -0.00105485 -2843 6.86531306 -0.00112147 -0.00105214 -2844 6.86769354 -0.00111897 -0.00104944 -2845 6.87007401 -0.00111648 -0.00104675 -2846 6.87245449 -0.00111399 -0.00104407 -2847 6.87483497 -0.00111151 -0.00104140 -2848 6.87721544 -0.00110903 -0.00103873 -2849 6.87959592 -0.00110656 -0.00103607 -2850 6.88197640 -0.00110410 -0.00103342 -2851 6.88435687 -0.00110164 -0.00103078 -2852 6.88673735 -0.00109919 -0.00102814 -2853 6.88911782 -0.00109675 -0.00102551 -2854 6.89149830 -0.00109431 -0.00102289 -2855 6.89387878 -0.00109188 -0.00102028 -2856 6.89625925 -0.00108945 -0.00101767 -2857 6.89863973 -0.00108703 -0.00101507 -2858 6.90102020 -0.00108462 -0.00101248 -2859 6.90340068 -0.00108221 -0.00100990 -2860 6.90578116 -0.00107981 -0.00100732 -2861 6.90816163 -0.00107742 -0.00100476 -2862 6.91054211 -0.00107503 -0.00100220 -2863 6.91292258 -0.00107264 -0.00099964 -2864 6.91530306 -0.00107027 -0.00099710 -2865 6.91768354 -0.00106790 -0.00099456 -2866 6.92006401 -0.00106553 -0.00099202 -2867 6.92244449 -0.00106317 -0.00098950 -2868 6.92482496 -0.00106082 -0.00098698 -2869 6.92720544 -0.00105847 -0.00098447 -2870 6.92958592 -0.00105613 -0.00098197 -2871 6.93196639 -0.00105380 -0.00097947 -2872 6.93434687 -0.00105147 -0.00097699 -2873 6.93672735 -0.00104915 -0.00097450 -2874 6.93910782 -0.00104683 -0.00097203 -2875 6.94148830 -0.00104452 -0.00096956 -2876 6.94386877 -0.00104222 -0.00096710 -2877 6.94624925 -0.00103992 -0.00096465 -2878 6.94862973 -0.00103762 -0.00096220 -2879 6.95101020 -0.00103534 -0.00095976 -2880 6.95339068 -0.00103305 -0.00095733 -2881 6.95577115 -0.00103078 -0.00095491 -2882 6.95815163 -0.00102851 -0.00095249 -2883 6.96053211 -0.00102624 -0.00095008 -2884 6.96291258 -0.00102398 -0.00094767 -2885 6.96529306 -0.00102173 -0.00094527 -2886 6.96767353 -0.00101948 -0.00094288 -2887 6.97005401 -0.00101724 -0.00094050 -2888 6.97243449 -0.00101501 -0.00093812 -2889 6.97481496 -0.00101278 -0.00093575 -2890 6.97719544 -0.00101055 -0.00093339 -2891 6.97957592 -0.00100833 -0.00093103 -2892 6.98195639 -0.00100612 -0.00092868 -2893 6.98433687 -0.00100391 -0.00092634 -2894 6.98671734 -0.00100171 -0.00092400 -2895 6.98909782 -0.00099951 -0.00092167 -2896 6.99147830 -0.00099732 -0.00091935 -2897 6.99385877 -0.00099513 -0.00091703 -2898 6.99623925 -0.00099295 -0.00091472 -2899 6.99861972 -0.00099078 -0.00091241 -2900 7.00100020 -0.00098861 -0.00091012 -2901 7.00338068 -0.00098645 -0.00090783 -2902 7.00576115 -0.00098429 -0.00090554 -2903 7.00814163 -0.00098213 -0.00090326 -2904 7.01052210 -0.00097999 -0.00090099 -2905 7.01290258 -0.00097785 -0.00089873 -2906 7.01528306 -0.00097571 -0.00089647 -2907 7.01766353 -0.00097358 -0.00089422 -2908 7.02004401 -0.00097145 -0.00089197 -2909 7.02242448 -0.00096933 -0.00088973 -2910 7.02480496 -0.00096722 -0.00088750 -2911 7.02718544 -0.00096511 -0.00088527 -2912 7.02956591 -0.00096300 -0.00088305 -2913 7.03194639 -0.00096090 -0.00088084 -2914 7.03432687 -0.00095881 -0.00087863 -2915 7.03670734 -0.00095672 -0.00087643 -2916 7.03908782 -0.00095463 -0.00087423 -2917 7.04146829 -0.00095256 -0.00087204 -2918 7.04384877 -0.00095048 -0.00086986 -2919 7.04622925 -0.00094841 -0.00086768 -2920 7.04860972 -0.00094635 -0.00086551 -2921 7.05099020 -0.00094429 -0.00086335 -2922 7.05337067 -0.00094224 -0.00086119 -2923 7.05575115 -0.00094019 -0.00085903 -2924 7.05813163 -0.00093815 -0.00085689 -2925 7.06051210 -0.00093611 -0.00085475 -2926 7.06289258 -0.00093408 -0.00085261 -2927 7.06527305 -0.00093205 -0.00085048 -2928 7.06765353 -0.00093003 -0.00084836 -2929 7.07003401 -0.00092802 -0.00084625 -2930 7.07241448 -0.00092600 -0.00084414 -2931 7.07479496 -0.00092400 -0.00084203 -2932 7.07717544 -0.00092200 -0.00083993 -2933 7.07955591 -0.00092000 -0.00083784 -2934 7.08193639 -0.00091801 -0.00083575 -2935 7.08431686 -0.00091602 -0.00083367 -2936 7.08669734 -0.00091404 -0.00083160 -2937 7.08907782 -0.00091206 -0.00082953 -2938 7.09145829 -0.00091009 -0.00082746 -2939 7.09383877 -0.00090812 -0.00082541 -2940 7.09621924 -0.00090616 -0.00082335 -2941 7.09859972 -0.00090420 -0.00082131 -2942 7.10098020 -0.00090225 -0.00081927 -2943 7.10336067 -0.00090030 -0.00081723 -2944 7.10574115 -0.00089836 -0.00081520 -2945 7.10812162 -0.00089642 -0.00081318 -2946 7.11050210 -0.00089449 -0.00081116 -2947 7.11288258 -0.00089256 -0.00080915 -2948 7.11526305 -0.00089063 -0.00080714 -2949 7.11764353 -0.00088871 -0.00080514 -2950 7.12002400 -0.00088680 -0.00080315 -2951 7.12240448 -0.00088489 -0.00080116 -2952 7.12478496 -0.00088299 -0.00079917 -2953 7.12716543 -0.00088109 -0.00079720 -2954 7.12954591 -0.00087919 -0.00079522 -2955 7.13192639 -0.00087730 -0.00079325 -2956 7.13430686 -0.00087541 -0.00079129 -2957 7.13668734 -0.00087353 -0.00078934 -2958 7.13906781 -0.00087166 -0.00078738 -2959 7.14144829 -0.00086978 -0.00078544 -2960 7.14382877 -0.00086792 -0.00078350 -2961 7.14620924 -0.00086605 -0.00078156 -2962 7.14858972 -0.00086420 -0.00077963 -2963 7.15097019 -0.00086234 -0.00077771 -2964 7.15335067 -0.00086049 -0.00077579 -2965 7.15573115 -0.00085865 -0.00077388 -2966 7.15811162 -0.00085681 -0.00077197 -2967 7.16049210 -0.00085497 -0.00077007 -2968 7.16287257 -0.00085314 -0.00076817 -2969 7.16525305 -0.00085132 -0.00076628 -2970 7.16763353 -0.00084949 -0.00076439 -2971 7.17001400 -0.00084768 -0.00076251 -2972 7.17239448 -0.00084586 -0.00076063 -2973 7.17477495 -0.00084405 -0.00075876 -2974 7.17715543 -0.00084225 -0.00075690 -2975 7.17953591 -0.00084045 -0.00075503 -2976 7.18191638 -0.00083866 -0.00075318 -2977 7.18429686 -0.00083687 -0.00075133 -2978 7.18667734 -0.00083508 -0.00074948 -2979 7.18905781 -0.00083330 -0.00074764 -2980 7.19143829 -0.00083152 -0.00074581 -2981 7.19381876 -0.00082975 -0.00074398 -2982 7.19619924 -0.00082798 -0.00074215 -2983 7.19857972 -0.00082621 -0.00074033 -2984 7.20096019 -0.00082445 -0.00073852 -2985 7.20334067 -0.00082270 -0.00073671 -2986 7.20572114 -0.00082095 -0.00073490 -2987 7.20810162 -0.00081920 -0.00073310 -2988 7.21048210 -0.00081746 -0.00073131 -2989 7.21286257 -0.00081572 -0.00072952 -2990 7.21524305 -0.00081398 -0.00072773 -2991 7.21762352 -0.00081225 -0.00072595 -2992 7.22000400 -0.00081053 -0.00072418 -2993 7.22238448 -0.00080880 -0.00072241 -2994 7.22476495 -0.00080709 -0.00072064 -2995 7.22714543 -0.00080537 -0.00071888 -2996 7.22952591 -0.00080366 -0.00071712 -2997 7.23190638 -0.00080196 -0.00071537 -2998 7.23428686 -0.00080026 -0.00071363 -2999 7.23666733 -0.00079856 -0.00071188 -3000 7.23904781 -0.00079687 -0.00071015 -3001 7.24142829 -0.00079518 -0.00070842 -3002 7.24380876 -0.00079350 -0.00070669 -3003 7.24618924 -0.00079182 -0.00070497 -3004 7.24856971 -0.00079014 -0.00070325 -3005 7.25095019 -0.00078847 -0.00070154 -3006 7.25333067 -0.00078680 -0.00069983 -3007 7.25571114 -0.00078514 -0.00069813 -3008 7.25809162 -0.00078348 -0.00069643 -3009 7.26047209 -0.00078182 -0.00069473 -3010 7.26285257 -0.00078017 -0.00069304 -3011 7.26523305 -0.00077852 -0.00069136 -3012 7.26761352 -0.00077688 -0.00068968 -3013 7.26999400 -0.00077524 -0.00068800 -3014 7.27237447 -0.00077360 -0.00068633 -3015 7.27475495 -0.00077197 -0.00068467 -3016 7.27713543 -0.00077034 -0.00068300 -3017 7.27951590 -0.00076872 -0.00068135 -3018 7.28189638 -0.00076710 -0.00067969 -3019 7.28427686 -0.00076548 -0.00067805 -3020 7.28665733 -0.00076387 -0.00067640 -3021 7.28903781 -0.00076226 -0.00067476 -3022 7.29141828 -0.00076066 -0.00067313 -3023 7.29379876 -0.00075906 -0.00067150 -3024 7.29617924 -0.00075746 -0.00066987 -3025 7.29855971 -0.00075587 -0.00066825 -3026 7.30094019 -0.00075428 -0.00066663 -3027 7.30332066 -0.00075269 -0.00066502 -3028 7.30570114 -0.00075111 -0.00066341 -3029 7.30808162 -0.00074954 -0.00066181 -3030 7.31046209 -0.00074796 -0.00066021 -3031 7.31284257 -0.00074639 -0.00065862 -3032 7.31522304 -0.00074483 -0.00065702 -3033 7.31760352 -0.00074326 -0.00065544 -3034 7.31998400 -0.00074171 -0.00065386 -3035 7.32236447 -0.00074015 -0.00065228 -3036 7.32474495 -0.00073860 -0.00065071 -3037 7.32712543 -0.00073705 -0.00064914 -3038 7.32950590 -0.00073551 -0.00064757 -3039 7.33188638 -0.00073397 -0.00064601 -3040 7.33426685 -0.00073243 -0.00064445 -3041 7.33664733 -0.00073090 -0.00064290 -3042 7.33902781 -0.00072937 -0.00064135 -3043 7.34140828 -0.00072785 -0.00063981 -3044 7.34378876 -0.00072633 -0.00063827 -3045 7.34616923 -0.00072481 -0.00063674 -3046 7.34854971 -0.00072330 -0.00063521 -3047 7.35093019 -0.00072179 -0.00063368 -3048 7.35331066 -0.00072028 -0.00063216 -3049 7.35569114 -0.00071878 -0.00063064 -3050 7.35807161 -0.00071728 -0.00062912 -3051 7.36045209 -0.00071578 -0.00062761 -3052 7.36283257 -0.00071429 -0.00062611 -3053 7.36521304 -0.00071280 -0.00062460 -3054 7.36759352 -0.00071131 -0.00062311 -3055 7.36997399 -0.00070983 -0.00062161 -3056 7.37235447 -0.00070835 -0.00062012 -3057 7.37473495 -0.00070688 -0.00061864 -3058 7.37711542 -0.00070541 -0.00061715 -3059 7.37949590 -0.00070394 -0.00061567 -3060 7.38187638 -0.00070248 -0.00061420 -3061 7.38425685 -0.00070102 -0.00061273 -3062 7.38663733 -0.00069956 -0.00061126 -3063 7.38901780 -0.00069811 -0.00060980 -3064 7.39139828 -0.00069666 -0.00060834 -3065 7.39377876 -0.00069521 -0.00060689 -3066 7.39615923 -0.00069377 -0.00060544 -3067 7.39853971 -0.00069233 -0.00060399 -3068 7.40092018 -0.00069089 -0.00060255 -3069 7.40330066 -0.00068946 -0.00060111 -3070 7.40568114 -0.00068803 -0.00059968 -3071 7.40806161 -0.00068661 -0.00059825 -3072 7.41044209 -0.00068518 -0.00059682 -3073 7.41282256 -0.00068376 -0.00059540 -3074 7.41520304 -0.00068235 -0.00059398 -3075 7.41758352 -0.00068094 -0.00059256 -3076 7.41996399 -0.00067953 -0.00059115 -3077 7.42234447 -0.00067812 -0.00058974 -3078 7.42472494 -0.00067672 -0.00058834 -3079 7.42710542 -0.00067532 -0.00058694 -3080 7.42948590 -0.00067392 -0.00058554 -3081 7.43186637 -0.00067253 -0.00058415 -3082 7.43424685 -0.00067114 -0.00058276 -3083 7.43662733 -0.00066976 -0.00058137 -3084 7.43900780 -0.00066838 -0.00057999 -3085 7.44138828 -0.00066700 -0.00057861 -3086 7.44376875 -0.00066562 -0.00057724 -3087 7.44614923 -0.00066425 -0.00057587 -3088 7.44852971 -0.00066288 -0.00057450 -3089 7.45091018 -0.00066151 -0.00057314 -3090 7.45329066 -0.00066015 -0.00057178 -3091 7.45567113 -0.00065879 -0.00057042 -3092 7.45805161 -0.00065744 -0.00056907 -3093 7.46043209 -0.00065608 -0.00056772 -3094 7.46281256 -0.00065473 -0.00056638 -3095 7.46519304 -0.00065339 -0.00056504 -3096 7.46757351 -0.00065204 -0.00056370 -3097 7.46995399 -0.00065070 -0.00056236 -3098 7.47233447 -0.00064936 -0.00056103 -3099 7.47471494 -0.00064803 -0.00055971 -3100 7.47709542 -0.00064670 -0.00055838 -3101 7.47947590 -0.00064537 -0.00055706 -3102 7.48185637 -0.00064405 -0.00055575 -3103 7.48423685 -0.00064273 -0.00055443 -3104 7.48661732 -0.00064141 -0.00055312 -3105 7.48899780 -0.00064009 -0.00055182 -3106 7.49137828 -0.00063878 -0.00055051 -3107 7.49375875 -0.00063747 -0.00054922 -3108 7.49613923 -0.00063617 -0.00054792 -3109 7.49851970 -0.00063486 -0.00054663 -3110 7.50090018 -0.00063356 -0.00054534 -3111 7.50328066 -0.00063227 -0.00054405 -3112 7.50566113 -0.00063097 -0.00054277 -3113 7.50804161 -0.00062968 -0.00054149 -3114 7.51042208 -0.00062840 -0.00054022 -3115 7.51280256 -0.00062711 -0.00053895 -3116 7.51518304 -0.00062583 -0.00053768 -3117 7.51756351 -0.00062455 -0.00053641 -3118 7.51994399 -0.00062328 -0.00053515 -3119 7.52232446 -0.00062200 -0.00053389 -3120 7.52470494 -0.00062073 -0.00053264 -3121 7.52708542 -0.00061947 -0.00053139 -3122 7.52946589 -0.00061820 -0.00053014 -3123 7.53184637 -0.00061694 -0.00052889 -3124 7.53422685 -0.00061569 -0.00052765 -3125 7.53660732 -0.00061443 -0.00052641 -3126 7.53898780 -0.00061318 -0.00052518 -3127 7.54136827 -0.00061193 -0.00052395 -3128 7.54374875 -0.00061069 -0.00052272 -3129 7.54612923 -0.00060944 -0.00052149 -3130 7.54850970 -0.00060820 -0.00052027 -3131 7.55089018 -0.00060697 -0.00051905 -3132 7.55327065 -0.00060573 -0.00051784 -3133 7.55565113 -0.00060450 -0.00051662 -3134 7.55803161 -0.00060327 -0.00051541 -3135 7.56041208 -0.00060205 -0.00051421 -3136 7.56279256 -0.00060082 -0.00051301 -3137 7.56517303 -0.00059960 -0.00051181 -3138 7.56755351 -0.00059839 -0.00051061 -3139 7.56993399 -0.00059717 -0.00050942 -3140 7.57231446 -0.00059596 -0.00050823 -3141 7.57469494 -0.00059475 -0.00050704 -3142 7.57707542 -0.00059355 -0.00050586 -3143 7.57945589 -0.00059234 -0.00050468 -3144 7.58183637 -0.00059114 -0.00050350 -3145 7.58421684 -0.00058995 -0.00050232 -3146 7.58659732 -0.00058875 -0.00050115 -3147 7.58897780 -0.00058756 -0.00049998 -3148 7.59135827 -0.00058637 -0.00049882 -3149 7.59373875 -0.00058519 -0.00049766 -3150 7.59611922 -0.00058400 -0.00049650 -3151 7.59849970 -0.00058282 -0.00049534 -3152 7.60088018 -0.00058165 -0.00049419 -3153 7.60326065 -0.00058047 -0.00049304 -3154 7.60564113 -0.00057930 -0.00049189 -3155 7.60802160 -0.00057813 -0.00049075 -3156 7.61040208 -0.00057696 -0.00048961 -3157 7.61278256 -0.00057580 -0.00048847 -3158 7.61516303 -0.00057464 -0.00048733 -3159 7.61754351 -0.00057348 -0.00048620 -3160 7.61992398 -0.00057232 -0.00048507 -3161 7.62230446 -0.00057117 -0.00048395 -3162 7.62468494 -0.00057002 -0.00048282 -3163 7.62706541 -0.00056887 -0.00048170 -3164 7.62944589 -0.00056772 -0.00048059 -3165 7.63182637 -0.00056658 -0.00047947 -3166 7.63420684 -0.00056544 -0.00047836 -3167 7.63658732 -0.00056430 -0.00047725 -3168 7.63896779 -0.00056317 -0.00047615 -3169 7.64134827 -0.00056204 -0.00047504 -3170 7.64372875 -0.00056091 -0.00047394 -3171 7.64610922 -0.00055978 -0.00047285 -3172 7.64848970 -0.00055866 -0.00047175 -3173 7.65087017 -0.00055753 -0.00047066 -3174 7.65325065 -0.00055642 -0.00046957 -3175 7.65563113 -0.00055530 -0.00046849 -3176 7.65801160 -0.00055418 -0.00046740 -3177 7.66039208 -0.00055307 -0.00046633 -3178 7.66277255 -0.00055196 -0.00046525 -3179 7.66515303 -0.00055086 -0.00046417 -3180 7.66753351 -0.00054975 -0.00046310 -3181 7.66991398 -0.00054865 -0.00046203 -3182 7.67229446 -0.00054755 -0.00046097 -3183 7.67467493 -0.00054646 -0.00045991 -3184 7.67705541 -0.00054537 -0.00045884 -3185 7.67943589 -0.00054427 -0.00045779 -3186 7.68181636 -0.00054319 -0.00045673 -3187 7.68419684 -0.00054210 -0.00045568 -3188 7.68657732 -0.00054102 -0.00045463 -3189 7.68895779 -0.00053994 -0.00045358 -3190 7.69133827 -0.00053886 -0.00045254 -3191 7.69371874 -0.00053778 -0.00045150 -3192 7.69609922 -0.00053671 -0.00045046 -3193 7.69847970 -0.00053564 -0.00044943 -3194 7.70086017 -0.00053457 -0.00044839 -3195 7.70324065 -0.00053350 -0.00044736 -3196 7.70562112 -0.00053244 -0.00044633 -3197 7.70800160 -0.00053138 -0.00044531 -3198 7.71038208 -0.00053032 -0.00044429 -3199 7.71276255 -0.00052926 -0.00044327 -3200 7.71514303 -0.00052821 -0.00044225 -3201 7.71752350 -0.00052716 -0.00044124 -3202 7.71990398 -0.00052611 -0.00044022 -3203 7.72228446 -0.00052506 -0.00043922 -3204 7.72466493 -0.00052402 -0.00043821 -3205 7.72704541 -0.00052297 -0.00043721 -3206 7.72942589 -0.00052193 -0.00043620 -3207 7.73180636 -0.00052090 -0.00043521 -3208 7.73418684 -0.00051986 -0.00043421 -3209 7.73656731 -0.00051883 -0.00043322 -3210 7.73894779 -0.00051780 -0.00043222 -3211 7.74132827 -0.00051677 -0.00043124 -3212 7.74370874 -0.00051575 -0.00043025 -3213 7.74608922 -0.00051472 -0.00042927 -3214 7.74846969 -0.00051370 -0.00042829 -3215 7.75085017 -0.00051268 -0.00042731 -3216 7.75323065 -0.00051167 -0.00042633 -3217 7.75561112 -0.00051065 -0.00042536 -3218 7.75799160 -0.00050964 -0.00042439 -3219 7.76037207 -0.00050863 -0.00042342 -3220 7.76275255 -0.00050763 -0.00042245 -3221 7.76513303 -0.00050662 -0.00042149 -3222 7.76751350 -0.00050562 -0.00042053 -3223 7.76989398 -0.00050462 -0.00041957 -3224 7.77227445 -0.00050362 -0.00041862 -3225 7.77465493 -0.00050263 -0.00041766 -3226 7.77703541 -0.00050163 -0.00041671 -3227 7.77941588 -0.00050064 -0.00041576 -3228 7.78179636 -0.00049965 -0.00041482 -3229 7.78417684 -0.00049867 -0.00041387 -3230 7.78655731 -0.00049768 -0.00041293 -3231 7.78893779 -0.00049670 -0.00041199 -3232 7.79131826 -0.00049572 -0.00041106 -3233 7.79369874 -0.00049475 -0.00041012 -3234 7.79607922 -0.00049377 -0.00040919 -3235 7.79845969 -0.00049280 -0.00040826 -3236 7.80084017 -0.00049183 -0.00040734 -3237 7.80322064 -0.00049086 -0.00040641 -3238 7.80560112 -0.00048989 -0.00040549 -3239 7.80798160 -0.00048893 -0.00040457 -3240 7.81036207 -0.00048797 -0.00040365 -3241 7.81274255 -0.00048701 -0.00040274 -3242 7.81512302 -0.00048605 -0.00040183 -3243 7.81750350 -0.00048509 -0.00040092 -3244 7.81988398 -0.00048414 -0.00040001 -3245 7.82226445 -0.00048319 -0.00039910 -3246 7.82464493 -0.00048224 -0.00039820 -3247 7.82702541 -0.00048129 -0.00039730 -3248 7.82940588 -0.00048035 -0.00039640 -3249 7.83178636 -0.00047941 -0.00039550 -3250 7.83416683 -0.00047846 -0.00039461 -3251 7.83654731 -0.00047753 -0.00039372 -3252 7.83892779 -0.00047659 -0.00039283 -3253 7.84130826 -0.00047566 -0.00039194 -3254 7.84368874 -0.00047472 -0.00039106 -3255 7.84606921 -0.00047379 -0.00039017 -3256 7.84844969 -0.00047287 -0.00038929 -3257 7.85083017 -0.00047194 -0.00038841 -3258 7.85321064 -0.00047102 -0.00038754 -3259 7.85559112 -0.00047010 -0.00038667 -3260 7.85797159 -0.00046918 -0.00038579 -3261 7.86035207 -0.00046826 -0.00038492 -3262 7.86273255 -0.00046734 -0.00038406 -3263 7.86511302 -0.00046643 -0.00038319 -3264 7.86749350 -0.00046552 -0.00038233 -3265 7.86987397 -0.00046461 -0.00038147 -3266 7.87225445 -0.00046370 -0.00038061 -3267 7.87463493 -0.00046280 -0.00037976 -3268 7.87701540 -0.00046190 -0.00037890 -3269 7.87939588 -0.00046099 -0.00037805 -3270 7.88177636 -0.00046010 -0.00037720 -3271 7.88415683 -0.00045920 -0.00037635 -3272 7.88653731 -0.00045830 -0.00037551 -3273 7.88891778 -0.00045741 -0.00037466 -3274 7.89129826 -0.00045652 -0.00037382 -3275 7.89367874 -0.00045563 -0.00037298 -3276 7.89605921 -0.00045474 -0.00037215 -3277 7.89843969 -0.00045386 -0.00037131 -3278 7.90082016 -0.00045298 -0.00037048 -3279 7.90320064 -0.00045210 -0.00036965 -3280 7.90558112 -0.00045122 -0.00036882 -3281 7.90796159 -0.00045034 -0.00036800 -3282 7.91034207 -0.00044946 -0.00036717 -3283 7.91272254 -0.00044859 -0.00036635 -3284 7.91510302 -0.00044772 -0.00036553 -3285 7.91748350 -0.00044685 -0.00036471 -3286 7.91986397 -0.00044598 -0.00036390 -3287 7.92224445 -0.00044512 -0.00036308 -3288 7.92462492 -0.00044426 -0.00036227 -3289 7.92700540 -0.00044339 -0.00036146 -3290 7.92938588 -0.00044253 -0.00036065 -3291 7.93176635 -0.00044168 -0.00035985 -3292 7.93414683 -0.00044082 -0.00035904 -3293 7.93652731 -0.00043997 -0.00035824 -3294 7.93890778 -0.00043912 -0.00035744 -3295 7.94128826 -0.00043827 -0.00035665 -3296 7.94366873 -0.00043742 -0.00035585 -3297 7.94604921 -0.00043657 -0.00035506 -3298 7.94842969 -0.00043573 -0.00035427 -3299 7.95081016 -0.00043488 -0.00035348 -3300 7.95319064 -0.00043404 -0.00035269 -3301 7.95557111 -0.00043321 -0.00035190 -3302 7.95795159 -0.00043237 -0.00035112 -3303 7.96033207 -0.00043153 -0.00035034 -3304 7.96271254 -0.00043070 -0.00034956 -3305 7.96509302 -0.00042987 -0.00034878 -3306 7.96747349 -0.00042904 -0.00034801 -3307 7.96985397 -0.00042821 -0.00034723 -3308 7.97223445 -0.00042739 -0.00034646 -3309 7.97461492 -0.00042656 -0.00034569 -3310 7.97699540 -0.00042574 -0.00034492 -3311 7.97937588 -0.00042492 -0.00034416 -3312 7.98175635 -0.00042410 -0.00034339 -3313 7.98413683 -0.00042329 -0.00034263 -3314 7.98651730 -0.00042247 -0.00034187 -3315 7.98889778 -0.00042166 -0.00034111 -3316 7.99127826 -0.00042085 -0.00034036 -3317 7.99365873 -0.00042004 -0.00033960 -3318 7.99603921 -0.00041923 -0.00033885 -3319 7.99841968 -0.00041843 -0.00033810 -3320 8.00080016 -0.00041762 -0.00033735 -3321 8.00318064 -0.00041682 -0.00033660 -3322 8.00556111 -0.00041602 -0.00033586 -3323 8.00794159 -0.00041522 -0.00033512 -3324 8.01032206 -0.00041442 -0.00033437 -3325 8.01270254 -0.00041363 -0.00033364 -3326 8.01508302 -0.00041283 -0.00033290 -3327 8.01746349 -0.00041204 -0.00033216 -3328 8.01984397 -0.00041125 -0.00033143 -3329 8.02222444 -0.00041047 -0.00033070 -3330 8.02460492 -0.00040968 -0.00032997 -3331 8.02698540 -0.00040889 -0.00032924 -3332 8.02936587 -0.00040811 -0.00032851 -3333 8.03174635 -0.00040733 -0.00032779 -3334 8.03412683 -0.00040655 -0.00032706 -3335 8.03650730 -0.00040577 -0.00032634 -3336 8.03888778 -0.00040500 -0.00032562 -3337 8.04126825 -0.00040422 -0.00032490 -3338 8.04364873 -0.00040345 -0.00032419 -3339 8.04602921 -0.00040268 -0.00032347 -3340 8.04840968 -0.00040191 -0.00032276 -3341 8.05079016 -0.00040114 -0.00032205 -3342 8.05317063 -0.00040038 -0.00032134 -3343 8.05555111 -0.00039961 -0.00032064 -3344 8.05793159 -0.00039885 -0.00031993 -3345 8.06031206 -0.00039809 -0.00031923 -3346 8.06269254 -0.00039733 -0.00031853 -3347 8.06507301 -0.00039657 -0.00031783 -3348 8.06745349 -0.00039582 -0.00031713 -3349 8.06983397 -0.00039506 -0.00031643 -3350 8.07221444 -0.00039431 -0.00031574 -3351 8.07459492 -0.00039356 -0.00031504 -3352 8.07697540 -0.00039281 -0.00031435 -3353 8.07935587 -0.00039206 -0.00031366 -3354 8.08173635 -0.00039132 -0.00031298 -3355 8.08411682 -0.00039057 -0.00031229 -3356 8.08649730 -0.00038983 -0.00031160 -3357 8.08887778 -0.00038909 -0.00031092 -3358 8.09125825 -0.00038835 -0.00031024 -3359 8.09363873 -0.00038761 -0.00030956 -3360 8.09601920 -0.00038688 -0.00030888 -3361 8.09839968 -0.00038614 -0.00030821 -3362 8.10078016 -0.00038541 -0.00030753 -3363 8.10316063 -0.00038468 -0.00030686 -3364 8.10554111 -0.00038395 -0.00030619 -3365 8.10792158 -0.00038322 -0.00030552 -3366 8.11030206 -0.00038249 -0.00030485 -3367 8.11268254 -0.00038177 -0.00030419 -3368 8.11506301 -0.00038105 -0.00030352 -3369 8.11744349 -0.00038032 -0.00030286 -3370 8.11982396 -0.00037960 -0.00030220 -3371 8.12220444 -0.00037889 -0.00030154 -3372 8.12458492 -0.00037817 -0.00030088 -3373 8.12696539 -0.00037745 -0.00030022 -3374 8.12934587 -0.00037674 -0.00029957 -3375 8.13172635 -0.00037603 -0.00029892 -3376 8.13410682 -0.00037532 -0.00029827 -3377 8.13648730 -0.00037461 -0.00029762 -3378 8.13886777 -0.00037390 -0.00029697 -3379 8.14124825 -0.00037319 -0.00029632 -3380 8.14362873 -0.00037249 -0.00029568 -3381 8.14600920 -0.00037178 -0.00029503 -3382 8.14838968 -0.00037108 -0.00029439 -3383 8.15077015 -0.00037038 -0.00029375 -3384 8.15315063 -0.00036968 -0.00029311 -3385 8.15553111 -0.00036899 -0.00029247 -3386 8.15791158 -0.00036829 -0.00029184 -3387 8.16029206 -0.00036760 -0.00029121 -3388 8.16267253 -0.00036691 -0.00029057 -3389 8.16505301 -0.00036622 -0.00028994 -3390 8.16743349 -0.00036553 -0.00028931 -3391 8.16981396 -0.00036484 -0.00028869 -3392 8.17219444 -0.00036415 -0.00028806 -3393 8.17457491 -0.00036347 -0.00028743 -3394 8.17695539 -0.00036278 -0.00028681 -3395 8.17933587 -0.00036210 -0.00028619 -3396 8.18171634 -0.00036142 -0.00028557 -3397 8.18409682 -0.00036074 -0.00028495 -3398 8.18647730 -0.00036006 -0.00028433 -3399 8.18885777 -0.00035939 -0.00028372 -3400 8.19123825 -0.00035871 -0.00028310 -3401 8.19361872 -0.00035804 -0.00028249 -3402 8.19599920 -0.00035737 -0.00028188 -3403 8.19837968 -0.00035670 -0.00028127 -3404 8.20076015 -0.00035603 -0.00028066 -3405 8.20314063 -0.00035536 -0.00028006 -3406 8.20552110 -0.00035470 -0.00027945 -3407 8.20790158 -0.00035403 -0.00027885 -3408 8.21028206 -0.00035337 -0.00027825 -3409 8.21266253 -0.00035271 -0.00027764 -3410 8.21504301 -0.00035205 -0.00027705 -3411 8.21742348 -0.00035139 -0.00027645 -3412 8.21980396 -0.00035073 -0.00027585 -3413 8.22218444 -0.00035007 -0.00027526 -3414 8.22456491 -0.00034942 -0.00027466 -3415 8.22694539 -0.00034877 -0.00027407 -3416 8.22932587 -0.00034811 -0.00027348 -3417 8.23170634 -0.00034746 -0.00027289 -3418 8.23408682 -0.00034682 -0.00027230 -3419 8.23646729 -0.00034617 -0.00027172 -3420 8.23884777 -0.00034552 -0.00027113 -3421 8.24122825 -0.00034488 -0.00027055 -3422 8.24360872 -0.00034423 -0.00026997 -3423 8.24598920 -0.00034359 -0.00026939 -3424 8.24836967 -0.00034295 -0.00026881 -3425 8.25075015 -0.00034231 -0.00026823 -3426 8.25313063 -0.00034167 -0.00026765 -3427 8.25551110 -0.00034104 -0.00026708 -3428 8.25789158 -0.00034040 -0.00026651 -3429 8.26027205 -0.00033977 -0.00026593 -3430 8.26265253 -0.00033914 -0.00026536 -3431 8.26503301 -0.00033851 -0.00026479 -3432 8.26741348 -0.00033788 -0.00026423 -3433 8.26979396 -0.00033725 -0.00026366 -3434 8.27217443 -0.00033662 -0.00026309 -3435 8.27455491 -0.00033599 -0.00026253 -3436 8.27693539 -0.00033537 -0.00026197 -3437 8.27931586 -0.00033475 -0.00026141 -3438 8.28169634 -0.00033413 -0.00026085 -3439 8.28407682 -0.00033351 -0.00026029 -3440 8.28645729 -0.00033289 -0.00025973 -3441 8.28883777 -0.00033227 -0.00025918 -3442 8.29121824 -0.00033165 -0.00025862 -3443 8.29359872 -0.00033104 -0.00025807 -3444 8.29597920 -0.00033042 -0.00025752 -3445 8.29835967 -0.00032981 -0.00025697 -3446 8.30074015 -0.00032920 -0.00025642 -3447 8.30312062 -0.00032859 -0.00025587 -3448 8.30550110 -0.00032798 -0.00025532 -3449 8.30788158 -0.00032738 -0.00025478 -3450 8.31026205 -0.00032677 -0.00025424 -3451 8.31264253 -0.00032616 -0.00025369 -3452 8.31502300 -0.00032556 -0.00025315 -3453 8.31740348 -0.00032496 -0.00025261 -3454 8.31978396 -0.00032436 -0.00025207 -3455 8.32216443 -0.00032376 -0.00025154 -3456 8.32454491 -0.00032316 -0.00025100 -3457 8.32692539 -0.00032256 -0.00025047 -3458 8.32930586 -0.00032197 -0.00024993 -3459 8.33168634 -0.00032137 -0.00024940 -3460 8.33406681 -0.00032078 -0.00024887 -3461 8.33644729 -0.00032019 -0.00024834 -3462 8.33882777 -0.00031960 -0.00024781 -3463 8.34120824 -0.00031901 -0.00024729 -3464 8.34358872 -0.00031842 -0.00024676 -3465 8.34596919 -0.00031784 -0.00024624 -3466 8.34834967 -0.00031725 -0.00024571 -3467 8.35073015 -0.00031667 -0.00024519 -3468 8.35311062 -0.00031608 -0.00024467 -3469 8.35549110 -0.00031550 -0.00024415 -3470 8.35787157 -0.00031492 -0.00024363 -3471 8.36025205 -0.00031434 -0.00024312 -3472 8.36263253 -0.00031376 -0.00024260 -3473 8.36501300 -0.00031319 -0.00024209 -3474 8.36739348 -0.00031261 -0.00024157 -3475 8.36977395 -0.00031204 -0.00024106 -3476 8.37215443 -0.00031146 -0.00024055 -3477 8.37453491 -0.00031089 -0.00024004 -3478 8.37691538 -0.00031032 -0.00023953 -3479 8.37929586 -0.00030975 -0.00023903 -3480 8.38167634 -0.00030918 -0.00023852 -3481 8.38405681 -0.00030861 -0.00023802 -3482 8.38643729 -0.00030805 -0.00023751 -3483 8.38881776 -0.00030748 -0.00023701 -3484 8.39119824 -0.00030692 -0.00023651 -3485 8.39357872 -0.00030636 -0.00023601 -3486 8.39595919 -0.00030580 -0.00023551 -3487 8.39833967 -0.00030524 -0.00023501 -3488 8.40072014 -0.00030468 -0.00023452 -3489 8.40310062 -0.00030412 -0.00023402 -3490 8.40548110 -0.00030356 -0.00023353 -3491 8.40786157 -0.00030301 -0.00023304 -3492 8.41024205 -0.00030245 -0.00023254 -3493 8.41262252 -0.00030190 -0.00023205 -3494 8.41500300 -0.00030135 -0.00023157 -3495 8.41738348 -0.00030080 -0.00023108 -3496 8.41976395 -0.00030025 -0.00023059 -3497 8.42214443 -0.00029970 -0.00023010 -3498 8.42452490 -0.00029915 -0.00022962 -3499 8.42690538 -0.00029861 -0.00022914 -3500 8.42928586 -0.00029806 -0.00022865 -3501 8.43166633 -0.00029752 -0.00022817 -3502 8.43404681 -0.00029698 -0.00022769 -3503 8.43642729 -0.00029643 -0.00022722 -3504 8.43880776 -0.00029589 -0.00022674 -3505 8.44118824 -0.00029535 -0.00022626 -3506 8.44356871 -0.00029482 -0.00022579 -3507 8.44594919 -0.00029428 -0.00022531 -3508 8.44832967 -0.00029374 -0.00022484 -3509 8.45071014 -0.00029321 -0.00022437 -3510 8.45309062 -0.00029268 -0.00022390 -3511 8.45547109 -0.00029214 -0.00022343 -3512 8.45785157 -0.00029161 -0.00022296 -3513 8.46023205 -0.00029108 -0.00022249 -3514 8.46261252 -0.00029055 -0.00022202 -3515 8.46499300 -0.00029002 -0.00022156 -3516 8.46737347 -0.00028950 -0.00022109 -3517 8.46975395 -0.00028897 -0.00022063 -3518 8.47213443 -0.00028845 -0.00022017 -3519 8.47451490 -0.00028792 -0.00021971 -3520 8.47689538 -0.00028740 -0.00021925 -3521 8.47927586 -0.00028688 -0.00021879 -3522 8.48165633 -0.00028636 -0.00021833 -3523 8.48403681 -0.00028584 -0.00021788 -3524 8.48641728 -0.00028532 -0.00021742 -3525 8.48879776 -0.00028481 -0.00021697 -3526 8.49117824 -0.00028429 -0.00021651 -3527 8.49355871 -0.00028377 -0.00021606 -3528 8.49593919 -0.00028326 -0.00021561 -3529 8.49831966 -0.00028275 -0.00021516 -3530 8.50070014 -0.00028224 -0.00021471 -3531 8.50308062 -0.00028173 -0.00021426 -3532 8.50546109 -0.00028122 -0.00021382 -3533 8.50784157 -0.00028071 -0.00021337 -3534 8.51022204 -0.00028020 -0.00021292 -3535 8.51260252 -0.00027969 -0.00021248 -3536 8.51498300 -0.00027919 -0.00021204 -3537 8.51736347 -0.00027868 -0.00021160 -3538 8.51974395 -0.00027818 -0.00021116 -3539 8.52212442 -0.00027768 -0.00021072 -3540 8.52450490 -0.00027718 -0.00021028 -3541 8.52688538 -0.00027668 -0.00020984 -3542 8.52926585 -0.00027618 -0.00020940 -3543 8.53164633 -0.00027568 -0.00020897 -3544 8.53402681 -0.00027518 -0.00020853 -3545 8.53640728 -0.00027469 -0.00020810 -3546 8.53878776 -0.00027419 -0.00020767 -3547 8.54116823 -0.00027370 -0.00020724 -3548 8.54354871 -0.00027321 -0.00020681 -3549 8.54592919 -0.00027272 -0.00020638 -3550 8.54830966 -0.00027222 -0.00020595 -3551 8.55069014 -0.00027173 -0.00020552 -3552 8.55307061 -0.00027125 -0.00020510 -3553 8.55545109 -0.00027076 -0.00020467 -3554 8.55783157 -0.00027027 -0.00020425 -3555 8.56021204 -0.00026979 -0.00020382 -3556 8.56259252 -0.00026930 -0.00020340 -3557 8.56497299 -0.00026882 -0.00020298 -3558 8.56735347 -0.00026834 -0.00020256 -3559 8.56973395 -0.00026785 -0.00020214 -3560 8.57211442 -0.00026737 -0.00020172 -3561 8.57449490 -0.00026689 -0.00020130 -3562 8.57687538 -0.00026641 -0.00020089 -3563 8.57925585 -0.00026594 -0.00020047 -3564 8.58163633 -0.00026546 -0.00020006 -3565 8.58401680 -0.00026498 -0.00019964 -3566 8.58639728 -0.00026451 -0.00019923 -3567 8.58877776 -0.00026404 -0.00019882 -3568 8.59115823 -0.00026356 -0.00019841 -3569 8.59353871 -0.00026309 -0.00019800 -3570 8.59591918 -0.00026262 -0.00019759 -3571 8.59829966 -0.00026215 -0.00019718 -3572 8.60068014 -0.00026168 -0.00019678 -3573 8.60306061 -0.00026121 -0.00019637 -3574 8.60544109 -0.00026075 -0.00019596 -3575 8.60782156 -0.00026028 -0.00019556 -3576 8.61020204 -0.00025982 -0.00019516 -3577 8.61258252 -0.00025935 -0.00019476 -3578 8.61496299 -0.00025889 -0.00019435 -3579 8.61734347 -0.00025843 -0.00019395 -3580 8.61972394 -0.00025796 -0.00019356 -3581 8.62210442 -0.00025750 -0.00019316 -3582 8.62448490 -0.00025705 -0.00019276 -3583 8.62686537 -0.00025659 -0.00019236 -3584 8.62924585 -0.00025613 -0.00019197 -3585 8.63162633 -0.00025567 -0.00019157 -3586 8.63400680 -0.00025522 -0.00019118 -3587 8.63638728 -0.00025476 -0.00019079 -3588 8.63876775 -0.00025431 -0.00019039 -3589 8.64114823 -0.00025386 -0.00019000 -3590 8.64352871 -0.00025340 -0.00018961 -3591 8.64590918 -0.00025295 -0.00018922 -3592 8.64828966 -0.00025250 -0.00018884 -3593 8.65067013 -0.00025205 -0.00018845 -3594 8.65305061 -0.00025161 -0.00018806 -3595 8.65543109 -0.00025116 -0.00018768 -3596 8.65781156 -0.00025071 -0.00018729 -3597 8.66019204 -0.00025027 -0.00018691 -3598 8.66257251 -0.00024982 -0.00018653 -3599 8.66495299 -0.00024938 -0.00018614 -3600 8.66733347 -0.00024894 -0.00018576 -3601 8.66971394 -0.00024849 -0.00018538 -3602 8.67209442 -0.00024805 -0.00018500 -3603 8.67447489 -0.00024761 -0.00018462 -3604 8.67685537 -0.00024718 -0.00018425 -3605 8.67923585 -0.00024674 -0.00018387 -3606 8.68161632 -0.00024630 -0.00018349 -3607 8.68399680 -0.00024586 -0.00018312 -3608 8.68637728 -0.00024543 -0.00018274 -3609 8.68875775 -0.00024499 -0.00018237 -3610 8.69113823 -0.00024456 -0.00018200 -3611 8.69351870 -0.00024413 -0.00018163 -3612 8.69589918 -0.00024369 -0.00018126 -3613 8.69827966 -0.00024326 -0.00018089 -3614 8.70066013 -0.00024283 -0.00018052 -3615 8.70304061 -0.00024240 -0.00018015 -3616 8.70542108 -0.00024198 -0.00017978 -3617 8.70780156 -0.00024155 -0.00017942 -3618 8.71018204 -0.00024112 -0.00017905 -3619 8.71256251 -0.00024070 -0.00017869 -3620 8.71494299 -0.00024027 -0.00017832 -3621 8.71732346 -0.00023985 -0.00017796 -3622 8.71970394 -0.00023942 -0.00017760 -3623 8.72208442 -0.00023900 -0.00017724 -3624 8.72446489 -0.00023858 -0.00017688 -3625 8.72684537 -0.00023816 -0.00017652 -3626 8.72922585 -0.00023774 -0.00017616 -3627 8.73160632 -0.00023732 -0.00017580 -3628 8.73398680 -0.00023690 -0.00017544 -3629 8.73636727 -0.00023649 -0.00017508 -3630 8.73874775 -0.00023607 -0.00017473 -3631 8.74112823 -0.00023565 -0.00017437 -3632 8.74350870 -0.00023524 -0.00017402 -3633 8.74588918 -0.00023483 -0.00017367 -3634 8.74826965 -0.00023441 -0.00017332 -3635 8.75065013 -0.00023400 -0.00017296 -3636 8.75303061 -0.00023359 -0.00017261 -3637 8.75541108 -0.00023318 -0.00017226 -3638 8.75779156 -0.00023277 -0.00017191 -3639 8.76017203 -0.00023236 -0.00017157 -3640 8.76255251 -0.00023195 -0.00017122 -3641 8.76493299 -0.00023154 -0.00017087 -3642 8.76731346 -0.00023114 -0.00017053 -3643 8.76969394 -0.00023073 -0.00017018 -3644 8.77207441 -0.00023033 -0.00016984 -3645 8.77445489 -0.00022992 -0.00016949 -3646 8.77683537 -0.00022952 -0.00016915 -3647 8.77921584 -0.00022912 -0.00016881 -3648 8.78159632 -0.00022872 -0.00016847 -3649 8.78397680 -0.00022832 -0.00016813 -3650 8.78635727 -0.00022792 -0.00016779 -3651 8.78873775 -0.00022752 -0.00016745 -3652 8.79111822 -0.00022712 -0.00016711 -3653 8.79349870 -0.00022672 -0.00016677 -3654 8.79587918 -0.00022633 -0.00016644 -3655 8.79825965 -0.00022593 -0.00016610 -3656 8.80064013 -0.00022553 -0.00016577 -3657 8.80302060 -0.00022514 -0.00016543 -3658 8.80540108 -0.00022475 -0.00016510 -3659 8.80778156 -0.00022435 -0.00016476 -3660 8.81016203 -0.00022396 -0.00016443 -3661 8.81254251 -0.00022357 -0.00016410 -3662 8.81492298 -0.00022318 -0.00016377 -3663 8.81730346 -0.00022279 -0.00016344 -3664 8.81968394 -0.00022240 -0.00016311 -3665 8.82206441 -0.00022202 -0.00016278 -3666 8.82444489 -0.00022163 -0.00016246 -3667 8.82682537 -0.00022124 -0.00016213 -3668 8.82920584 -0.00022086 -0.00016180 -3669 8.83158632 -0.00022047 -0.00016148 -3670 8.83396679 -0.00022009 -0.00016115 -3671 8.83634727 -0.00021970 -0.00016083 -3672 8.83872775 -0.00021932 -0.00016051 -3673 8.84110822 -0.00021894 -0.00016019 -3674 8.84348870 -0.00021856 -0.00015986 -3675 8.84586917 -0.00021818 -0.00015954 -3676 8.84824965 -0.00021780 -0.00015922 -3677 8.85063013 -0.00021742 -0.00015890 -3678 8.85301060 -0.00021704 -0.00015859 -3679 8.85539108 -0.00021667 -0.00015827 -3680 8.85777155 -0.00021629 -0.00015795 -3681 8.86015203 -0.00021591 -0.00015763 -3682 8.86253251 -0.00021554 -0.00015732 -3683 8.86491298 -0.00021517 -0.00015700 -3684 8.86729346 -0.00021479 -0.00015669 -3685 8.86967393 -0.00021442 -0.00015638 -3686 8.87205441 -0.00021405 -0.00015606 -3687 8.87443489 -0.00021368 -0.00015575 -3688 8.87681536 -0.00021331 -0.00015544 -3689 8.87919584 -0.00021294 -0.00015513 -3690 8.88157632 -0.00021257 -0.00015482 -3691 8.88395679 -0.00021220 -0.00015451 -3692 8.88633727 -0.00021183 -0.00015420 -3693 8.88871774 -0.00021146 -0.00015389 -3694 8.89109822 -0.00021110 -0.00015359 -3695 8.89347870 -0.00021073 -0.00015328 -3696 8.89585917 -0.00021037 -0.00015297 -3697 8.89823965 -0.00021001 -0.00015267 -3698 8.90062012 -0.00020964 -0.00015236 -3699 8.90300060 -0.00020928 -0.00015206 -3700 8.90538108 -0.00020892 -0.00015176 -3701 8.90776155 -0.00020856 -0.00015145 -3702 8.91014203 -0.00020820 -0.00015115 -3703 8.91252250 -0.00020784 -0.00015085 -3704 8.91490298 -0.00020748 -0.00015055 -3705 8.91728346 -0.00020712 -0.00015025 -3706 8.91966393 -0.00020676 -0.00014995 -3707 8.92204441 -0.00020641 -0.00014965 -3708 8.92442488 -0.00020605 -0.00014936 -3709 8.92680536 -0.00020570 -0.00014906 -3710 8.92918584 -0.00020534 -0.00014876 -3711 8.93156631 -0.00020499 -0.00014847 -3712 8.93394679 -0.00020463 -0.00014817 -3713 8.93632727 -0.00020428 -0.00014788 -3714 8.93870774 -0.00020393 -0.00014758 -3715 8.94108822 -0.00020358 -0.00014729 -3716 8.94346869 -0.00020323 -0.00014700 -3717 8.94584917 -0.00020288 -0.00014671 -3718 8.94822965 -0.00020253 -0.00014642 -3719 8.95061012 -0.00020218 -0.00014613 -3720 8.95299060 -0.00020184 -0.00014584 -3721 8.95537107 -0.00020149 -0.00014555 -3722 8.95775155 -0.00020114 -0.00014526 -3723 8.96013203 -0.00020080 -0.00014497 -3724 8.96251250 -0.00020045 -0.00014468 -3725 8.96489298 -0.00020011 -0.00014440 -3726 8.96727345 -0.00019976 -0.00014411 -3727 8.96965393 -0.00019942 -0.00014383 -3728 8.97203441 -0.00019908 -0.00014354 -3729 8.97441488 -0.00019874 -0.00014326 -3730 8.97679536 -0.00019840 -0.00014297 -3731 8.97917584 -0.00019806 -0.00014269 -3732 8.98155631 -0.00019772 -0.00014241 -3733 8.98393679 -0.00019738 -0.00014213 -3734 8.98631726 -0.00019704 -0.00014185 -3735 8.98869774 -0.00019670 -0.00014157 -3736 8.99107822 -0.00019637 -0.00014129 -3737 8.99345869 -0.00019603 -0.00014101 -3738 8.99583917 -0.00019570 -0.00014073 -3739 8.99821964 -0.00019536 -0.00014045 -3740 9.00060012 -0.00019503 -0.00014017 -3741 9.00298060 -0.00019469 -0.00013990 -3742 9.00536107 -0.00019436 -0.00013962 -3743 9.00774155 -0.00019403 -0.00013935 -3744 9.01012202 -0.00019370 -0.00013907 -3745 9.01250250 -0.00019337 -0.00013880 -3746 9.01488298 -0.00019304 -0.00013853 -3747 9.01726345 -0.00019271 -0.00013825 -3748 9.01964393 -0.00019238 -0.00013798 -3749 9.02202440 -0.00019205 -0.00013771 -3750 9.02440488 -0.00019172 -0.00013744 -3751 9.02678536 -0.00019140 -0.00013717 -3752 9.02916583 -0.00019107 -0.00013690 -3753 9.03154631 -0.00019075 -0.00013663 -3754 9.03392679 -0.00019042 -0.00013636 -3755 9.03630726 -0.00019010 -0.00013609 -3756 9.03868774 -0.00018977 -0.00013583 -3757 9.04106821 -0.00018945 -0.00013556 -3758 9.04344869 -0.00018913 -0.00013529 -3759 9.04582917 -0.00018881 -0.00013503 -3760 9.04820964 -0.00018848 -0.00013476 -3761 9.05059012 -0.00018816 -0.00013450 -3762 9.05297059 -0.00018784 -0.00013423 -3763 9.05535107 -0.00018752 -0.00013397 -3764 9.05773155 -0.00018721 -0.00013371 -3765 9.06011202 -0.00018689 -0.00013345 -3766 9.06249250 -0.00018657 -0.00013318 -3767 9.06487297 -0.00018625 -0.00013292 -3768 9.06725345 -0.00018594 -0.00013266 -3769 9.06963393 -0.00018562 -0.00013240 -3770 9.07201440 -0.00018531 -0.00013214 -3771 9.07439488 -0.00018499 -0.00013189 -3772 9.07677536 -0.00018468 -0.00013163 -3773 9.07915583 -0.00018437 -0.00013137 -3774 9.08153631 -0.00018405 -0.00013111 -3775 9.08391678 -0.00018374 -0.00013086 -3776 9.08629726 -0.00018343 -0.00013060 -3777 9.08867774 -0.00018312 -0.00013035 -3778 9.09105821 -0.00018281 -0.00013009 -3779 9.09343869 -0.00018250 -0.00012984 -3780 9.09581916 -0.00018219 -0.00012958 -3781 9.09819964 -0.00018188 -0.00012933 -3782 9.10058012 -0.00018158 -0.00012908 -3783 9.10296059 -0.00018127 -0.00012883 -3784 9.10534107 -0.00018096 -0.00012858 -3785 9.10772154 -0.00018066 -0.00012833 -3786 9.11010202 -0.00018035 -0.00012808 -3787 9.11248250 -0.00018005 -0.00012783 -3788 9.11486297 -0.00017974 -0.00012758 -3789 9.11724345 -0.00017944 -0.00012733 -3790 9.11962392 -0.00017914 -0.00012708 -3791 9.12200440 -0.00017884 -0.00012683 -3792 9.12438488 -0.00017853 -0.00012659 -3793 9.12676535 -0.00017823 -0.00012634 -3794 9.12914583 -0.00017793 -0.00012609 -3795 9.13152631 -0.00017763 -0.00012585 -3796 9.13390678 -0.00017733 -0.00012560 -3797 9.13628726 -0.00017703 -0.00012536 -3798 9.13866773 -0.00017674 -0.00012512 -3799 9.14104821 -0.00017644 -0.00012487 -3800 9.14342869 -0.00017614 -0.00012463 -3801 9.14580916 -0.00017585 -0.00012439 -3802 9.14818964 -0.00017555 -0.00012415 -3803 9.15057011 -0.00017525 -0.00012391 -3804 9.15295059 -0.00017496 -0.00012367 -3805 9.15533107 -0.00017467 -0.00012343 -3806 9.15771154 -0.00017437 -0.00012319 -3807 9.16009202 -0.00017408 -0.00012295 -3808 9.16247249 -0.00017379 -0.00012271 -3809 9.16485297 -0.00017349 -0.00012247 -3810 9.16723345 -0.00017320 -0.00012224 -3811 9.16961392 -0.00017291 -0.00012200 -3812 9.17199440 -0.00017262 -0.00012176 -3813 9.17437487 -0.00017233 -0.00012153 -3814 9.17675535 -0.00017204 -0.00012129 -3815 9.17913583 -0.00017176 -0.00012106 -3816 9.18151630 -0.00017147 -0.00012082 -3817 9.18389678 -0.00017118 -0.00012059 -3818 9.18627726 -0.00017089 -0.00012036 -3819 9.18865773 -0.00017061 -0.00012012 -3820 9.19103821 -0.00017032 -0.00011989 -3821 9.19341868 -0.00017004 -0.00011966 -3822 9.19579916 -0.00016975 -0.00011943 -3823 9.19817964 -0.00016947 -0.00011920 -3824 9.20056011 -0.00016918 -0.00011897 -3825 9.20294059 -0.00016890 -0.00011874 -3826 9.20532106 -0.00016862 -0.00011851 -3827 9.20770154 -0.00016834 -0.00011828 -3828 9.21008202 -0.00016806 -0.00011805 -3829 9.21246249 -0.00016778 -0.00011783 -3830 9.21484297 -0.00016749 -0.00011760 -3831 9.21722344 -0.00016722 -0.00011737 -3832 9.21960392 -0.00016694 -0.00011715 -3833 9.22198440 -0.00016666 -0.00011692 -3834 9.22436487 -0.00016638 -0.00011670 -3835 9.22674535 -0.00016610 -0.00011647 -3836 9.22912583 -0.00016583 -0.00011625 -3837 9.23150630 -0.00016555 -0.00011602 -3838 9.23388678 -0.00016527 -0.00011580 -3839 9.23626725 -0.00016500 -0.00011558 -3840 9.23864773 -0.00016472 -0.00011535 -3841 9.24102821 -0.00016445 -0.00011513 -3842 9.24340868 -0.00016417 -0.00011491 -3843 9.24578916 -0.00016390 -0.00011469 -3844 9.24816963 -0.00016363 -0.00011447 -3845 9.25055011 -0.00016336 -0.00011425 -3846 9.25293059 -0.00016308 -0.00011403 -3847 9.25531106 -0.00016281 -0.00011381 -3848 9.25769154 -0.00016254 -0.00011359 -3849 9.26007201 -0.00016227 -0.00011338 -3850 9.26245249 -0.00016200 -0.00011316 -3851 9.26483297 -0.00016173 -0.00011294 -3852 9.26721344 -0.00016146 -0.00011273 -3853 9.26959392 -0.00016120 -0.00011251 -3854 9.27197439 -0.00016093 -0.00011229 -3855 9.27435487 -0.00016066 -0.00011208 -3856 9.27673535 -0.00016040 -0.00011187 -3857 9.27911582 -0.00016013 -0.00011165 -3858 9.28149630 -0.00015986 -0.00011144 -3859 9.28387678 -0.00015960 -0.00011122 -3860 9.28625725 -0.00015933 -0.00011101 -3861 9.28863773 -0.00015907 -0.00011080 -3862 9.29101820 -0.00015881 -0.00011059 -3863 9.29339868 -0.00015854 -0.00011038 -3864 9.29577916 -0.00015828 -0.00011017 -3865 9.29815963 -0.00015802 -0.00010996 -3866 9.30054011 -0.00015776 -0.00010975 -3867 9.30292058 -0.00015750 -0.00010954 -3868 9.30530106 -0.00015724 -0.00010933 -3869 9.30768154 -0.00015698 -0.00010912 -3870 9.31006201 -0.00015672 -0.00010891 -3871 9.31244249 -0.00015646 -0.00010870 -3872 9.31482296 -0.00015620 -0.00010849 -3873 9.31720344 -0.00015594 -0.00010829 -3874 9.31958392 -0.00015568 -0.00010808 -3875 9.32196439 -0.00015543 -0.00010788 -3876 9.32434487 -0.00015517 -0.00010767 -3877 9.32672535 -0.00015491 -0.00010747 -3878 9.32910582 -0.00015466 -0.00010726 -3879 9.33148630 -0.00015440 -0.00010706 -3880 9.33386677 -0.00015415 -0.00010685 -3881 9.33624725 -0.00015389 -0.00010665 -3882 9.33862773 -0.00015364 -0.00010645 -3883 9.34100820 -0.00015339 -0.00010624 -3884 9.34338868 -0.00015314 -0.00010604 -3885 9.34576915 -0.00015288 -0.00010584 -3886 9.34814963 -0.00015263 -0.00010564 -3887 9.35053011 -0.00015238 -0.00010544 -3888 9.35291058 -0.00015213 -0.00010524 -3889 9.35529106 -0.00015188 -0.00010504 -3890 9.35767153 -0.00015163 -0.00010484 -3891 9.36005201 -0.00015138 -0.00010464 -3892 9.36243249 -0.00015113 -0.00010444 -3893 9.36481296 -0.00015088 -0.00010424 -3894 9.36719344 -0.00015063 -0.00010405 -3895 9.36957391 -0.00015039 -0.00010385 -3896 9.37195439 -0.00015014 -0.00010365 -3897 9.37433487 -0.00014989 -0.00010346 -3898 9.37671534 -0.00014965 -0.00010326 -3899 9.37909582 -0.00014940 -0.00010306 -3900 9.38147630 -0.00014916 -0.00010287 -3901 9.38385677 -0.00014891 -0.00010267 -3902 9.38623725 -0.00014867 -0.00010248 -3903 9.38861772 -0.00014842 -0.00010229 -3904 9.39099820 -0.00014818 -0.00010209 -3905 9.39337868 -0.00014794 -0.00010190 -3906 9.39575915 -0.00014770 -0.00010171 -3907 9.39813963 -0.00014745 -0.00010152 -3908 9.40052010 -0.00014721 -0.00010132 -3909 9.40290058 -0.00014697 -0.00010113 -3910 9.40528106 -0.00014673 -0.00010094 -3911 9.40766153 -0.00014649 -0.00010075 -3912 9.41004201 -0.00014625 -0.00010056 -3913 9.41242248 -0.00014601 -0.00010037 -3914 9.41480296 -0.00014577 -0.00010018 -3915 9.41718344 -0.00014554 -0.00009999 -3916 9.41956391 -0.00014530 -0.00009980 -3917 9.42194439 -0.00014506 -0.00009962 -3918 9.42432486 -0.00014482 -0.00009943 -3919 9.42670534 -0.00014459 -0.00009924 -3920 9.42908582 -0.00014435 -0.00009905 -3921 9.43146629 -0.00014412 -0.00009887 -3922 9.43384677 -0.00014388 -0.00009868 -3923 9.43622725 -0.00014365 -0.00009850 -3924 9.43860772 -0.00014341 -0.00009831 -3925 9.44098820 -0.00014318 -0.00009813 -3926 9.44336867 -0.00014294 -0.00009794 -3927 9.44574915 -0.00014271 -0.00009776 -3928 9.44812963 -0.00014248 -0.00009757 -3929 9.45051010 -0.00014225 -0.00009739 -3930 9.45289058 -0.00014202 -0.00009721 -3931 9.45527105 -0.00014178 -0.00009702 -3932 9.45765153 -0.00014155 -0.00009684 -3933 9.46003201 -0.00014132 -0.00009666 -3934 9.46241248 -0.00014109 -0.00009648 -3935 9.46479296 -0.00014086 -0.00009630 -3936 9.46717343 -0.00014063 -0.00009612 -3937 9.46955391 -0.00014041 -0.00009594 -3938 9.47193439 -0.00014018 -0.00009576 -3939 9.47431486 -0.00013995 -0.00009558 -3940 9.47669534 -0.00013972 -0.00009540 -3941 9.47907582 -0.00013950 -0.00009522 -3942 9.48145629 -0.00013927 -0.00009504 -3943 9.48383677 -0.00013904 -0.00009486 -3944 9.48621724 -0.00013882 -0.00009468 -3945 9.48859772 -0.00013859 -0.00009451 -3946 9.49097820 -0.00013837 -0.00009433 -3947 9.49335867 -0.00013814 -0.00009415 -3948 9.49573915 -0.00013792 -0.00009398 -3949 9.49811962 -0.00013770 -0.00009380 -3950 9.50050010 -0.00013747 -0.00009363 -3951 9.50288058 -0.00013725 -0.00009345 -3952 9.50526105 -0.00013703 -0.00009328 -3953 9.50764153 -0.00013681 -0.00009310 -3954 9.51002200 -0.00013659 -0.00009293 -3955 9.51240248 -0.00013636 -0.00009276 -3956 9.51478296 -0.00013614 -0.00009258 -3957 9.51716343 -0.00013592 -0.00009241 -3958 9.51954391 -0.00013570 -0.00009224 -3959 9.52192438 -0.00013548 -0.00009207 -3960 9.52430486 -0.00013527 -0.00009189 -3961 9.52668534 -0.00013505 -0.00009172 -3962 9.52906581 -0.00013483 -0.00009155 -3963 9.53144629 -0.00013461 -0.00009138 -3964 9.53382677 -0.00013439 -0.00009121 -3965 9.53620724 -0.00013418 -0.00009104 -3966 9.53858772 -0.00013396 -0.00009087 -3967 9.54096819 -0.00013374 -0.00009070 -3968 9.54334867 -0.00013353 -0.00009053 -3969 9.54572915 -0.00013331 -0.00009036 -3970 9.54810962 -0.00013310 -0.00009020 -3971 9.55049010 -0.00013288 -0.00009003 -3972 9.55287057 -0.00013267 -0.00008986 -3973 9.55525105 -0.00013246 -0.00008969 -3974 9.55763153 -0.00013224 -0.00008953 -3975 9.56001200 -0.00013203 -0.00008936 -3976 9.56239248 -0.00013182 -0.00008920 -3977 9.56477295 -0.00013160 -0.00008903 -3978 9.56715343 -0.00013139 -0.00008886 -3979 9.56953391 -0.00013118 -0.00008870 -3980 9.57191438 -0.00013097 -0.00008853 -3981 9.57429486 -0.00013076 -0.00008837 -3982 9.57667534 -0.00013055 -0.00008821 -3983 9.57905581 -0.00013034 -0.00008804 -3984 9.58143629 -0.00013013 -0.00008788 -3985 9.58381676 -0.00012992 -0.00008772 -3986 9.58619724 -0.00012971 -0.00008755 -3987 9.58857772 -0.00012950 -0.00008739 -3988 9.59095819 -0.00012930 -0.00008723 -3989 9.59333867 -0.00012909 -0.00008707 -3990 9.59571914 -0.00012888 -0.00008691 -3991 9.59809962 -0.00012868 -0.00008675 -3992 9.60048010 -0.00012847 -0.00008659 -3993 9.60286057 -0.00012826 -0.00008643 -3994 9.60524105 -0.00012806 -0.00008627 -3995 9.60762152 -0.00012785 -0.00008611 -3996 9.61000200 -0.00012765 -0.00008595 -3997 9.61238248 -0.00012744 -0.00008579 -3998 9.61476295 -0.00012724 -0.00008563 -3999 9.61714343 -0.00012704 -0.00008547 -4000 9.61952390 -0.00012683 -0.00008531 -4001 9.62190438 -0.00012663 -0.00008516 -4002 9.62428486 -0.00012643 -0.00008500 -4003 9.62666533 -0.00012623 -0.00008484 -4004 9.62904581 -0.00012602 -0.00008469 -4005 9.63142629 -0.00012582 -0.00008453 -4006 9.63380676 -0.00012562 -0.00008437 -4007 9.63618724 -0.00012542 -0.00008422 -4008 9.63856771 -0.00012522 -0.00008406 -4009 9.64094819 -0.00012502 -0.00008391 -4010 9.64332867 -0.00012482 -0.00008375 -4011 9.64570914 -0.00012462 -0.00008360 -4012 9.64808962 -0.00012442 -0.00008345 -4013 9.65047009 -0.00012422 -0.00008329 -4014 9.65285057 -0.00012403 -0.00008314 -4015 9.65523105 -0.00012383 -0.00008299 -4016 9.65761152 -0.00012363 -0.00008283 -4017 9.65999200 -0.00012343 -0.00008268 -4018 9.66237247 -0.00012324 -0.00008253 -4019 9.66475295 -0.00012304 -0.00008238 -4020 9.66713343 -0.00012285 -0.00008223 -4021 9.66951390 -0.00012265 -0.00008207 -4022 9.67189438 -0.00012245 -0.00008192 -4023 9.67427485 -0.00012226 -0.00008177 -4024 9.67665533 -0.00012206 -0.00008162 -4025 9.67903581 -0.00012187 -0.00008147 -4026 9.68141628 -0.00012168 -0.00008132 -4027 9.68379676 -0.00012148 -0.00008117 -4028 9.68617724 -0.00012129 -0.00008103 -4029 9.68855771 -0.00012110 -0.00008088 -4030 9.69093819 -0.00012091 -0.00008073 -4031 9.69331866 -0.00012071 -0.00008058 -4032 9.69569914 -0.00012052 -0.00008043 -4033 9.69807962 -0.00012033 -0.00008029 -4034 9.70046009 -0.00012014 -0.00008014 -4035 9.70284057 -0.00011995 -0.00007999 -4036 9.70522104 -0.00011976 -0.00007985 -4037 9.70760152 -0.00011957 -0.00007970 -4038 9.70998200 -0.00011938 -0.00007955 -4039 9.71236247 -0.00011919 -0.00007941 -4040 9.71474295 -0.00011900 -0.00007926 -4041 9.71712342 -0.00011881 -0.00007912 -4042 9.71950390 -0.00011862 -0.00007897 -4043 9.72188438 -0.00011844 -0.00007883 -4044 9.72426485 -0.00011825 -0.00007869 -4045 9.72664533 -0.00011806 -0.00007854 -4046 9.72902581 -0.00011788 -0.00007840 -4047 9.73140628 -0.00011769 -0.00007826 -4048 9.73378676 -0.00011750 -0.00007811 -4049 9.73616723 -0.00011732 -0.00007797 -4050 9.73854771 -0.00011713 -0.00007783 -4051 9.74092819 -0.00011695 -0.00007769 -4052 9.74330866 -0.00011676 -0.00007754 -4053 9.74568914 -0.00011658 -0.00007740 -4054 9.74806961 -0.00011639 -0.00007726 -4055 9.75045009 -0.00011621 -0.00007712 -4056 9.75283057 -0.00011603 -0.00007698 -4057 9.75521104 -0.00011584 -0.00007684 -4058 9.75759152 -0.00011566 -0.00007670 -4059 9.75997199 -0.00011548 -0.00007656 -4060 9.76235247 -0.00011530 -0.00007642 -4061 9.76473295 -0.00011511 -0.00007628 -4062 9.76711342 -0.00011493 -0.00007614 -4063 9.76949390 -0.00011475 -0.00007601 -4064 9.77187437 -0.00011457 -0.00007587 -4065 9.77425485 -0.00011439 -0.00007573 -4066 9.77663533 -0.00011421 -0.00007559 -4067 9.77901580 -0.00011403 -0.00007545 -4068 9.78139628 -0.00011385 -0.00007532 -4069 9.78377676 -0.00011367 -0.00007518 -4070 9.78615723 -0.00011349 -0.00007504 -4071 9.78853771 -0.00011331 -0.00007491 -4072 9.79091818 -0.00011314 -0.00007477 -4073 9.79329866 -0.00011296 -0.00007464 -4074 9.79567914 -0.00011278 -0.00007450 -4075 9.79805961 -0.00011260 -0.00007437 -4076 9.80044009 -0.00011243 -0.00007423 -4077 9.80282056 -0.00011225 -0.00007410 -4078 9.80520104 -0.00011207 -0.00007396 -4079 9.80758152 -0.00011190 -0.00007383 -4080 9.80996199 -0.00011172 -0.00007369 -4081 9.81234247 -0.00011155 -0.00007356 -4082 9.81472294 -0.00011137 -0.00007343 -4083 9.81710342 -0.00011120 -0.00007329 -4084 9.81948390 -0.00011102 -0.00007316 -4085 9.82186437 -0.00011085 -0.00007303 -4086 9.82424485 -0.00011068 -0.00007290 -4087 9.82662533 -0.00011050 -0.00007277 -4088 9.82900580 -0.00011033 -0.00007263 -4089 9.83138628 -0.00011016 -0.00007250 -4090 9.83376675 -0.00010998 -0.00007237 -4091 9.83614723 -0.00010981 -0.00007224 -4092 9.83852771 -0.00010964 -0.00007211 -4093 9.84090818 -0.00010947 -0.00007198 -4094 9.84328866 -0.00010930 -0.00007185 -4095 9.84566913 -0.00010913 -0.00007172 -4096 9.84804961 -0.00010896 -0.00007159 -4097 9.85043009 -0.00010879 -0.00007146 -4098 9.85281056 -0.00010862 -0.00007133 -4099 9.85519104 -0.00010845 -0.00007121 -4100 9.85757151 -0.00010828 -0.00007108 -4101 9.85995199 -0.00010811 -0.00007095 -4102 9.86233247 -0.00010794 -0.00007082 -4103 9.86471294 -0.00010777 -0.00007069 -4104 9.86709342 -0.00010760 -0.00007057 -4105 9.86947389 -0.00010743 -0.00007044 -4106 9.87185437 -0.00010727 -0.00007031 -4107 9.87423485 -0.00010710 -0.00007019 -4108 9.87661532 -0.00010693 -0.00007006 -4109 9.87899580 -0.00010677 -0.00006993 -4110 9.88137628 -0.00010660 -0.00006981 -4111 9.88375675 -0.00010643 -0.00006968 -4112 9.88613723 -0.00010627 -0.00006956 -4113 9.88851770 -0.00010610 -0.00006943 -4114 9.89089818 -0.00010594 -0.00006931 -4115 9.89327866 -0.00010577 -0.00006918 -4116 9.89565913 -0.00010561 -0.00006906 -4117 9.89803961 -0.00010544 -0.00006893 -4118 9.90042008 -0.00010528 -0.00006881 -4119 9.90280056 -0.00010512 -0.00006869 -4120 9.90518104 -0.00010495 -0.00006856 -4121 9.90756151 -0.00010479 -0.00006844 -4122 9.90994199 -0.00010463 -0.00006832 -4123 9.91232246 -0.00010446 -0.00006820 -4124 9.91470294 -0.00010430 -0.00006807 -4125 9.91708342 -0.00010414 -0.00006795 -4126 9.91946389 -0.00010398 -0.00006783 -4127 9.92184437 -0.00010382 -0.00006771 -4128 9.92422484 -0.00010366 -0.00006759 -4129 9.92660532 -0.00010350 -0.00006747 -4130 9.92898580 -0.00010334 -0.00006735 -4131 9.93136627 -0.00010318 -0.00006723 -4132 9.93374675 -0.00010302 -0.00006711 -4133 9.93612723 -0.00010286 -0.00006699 -4134 9.93850770 -0.00010270 -0.00006687 -4135 9.94088818 -0.00010254 -0.00006675 -4136 9.94326865 -0.00010238 -0.00006663 -4137 9.94564913 -0.00010222 -0.00006651 -4138 9.94802961 -0.00010206 -0.00006639 -4139 9.95041008 -0.00010190 -0.00006627 -4140 9.95279056 -0.00010175 -0.00006615 -4141 9.95517103 -0.00010159 -0.00006603 -4142 9.95755151 -0.00010143 -0.00006592 -4143 9.95993199 -0.00010128 -0.00006580 -4144 9.96231246 -0.00010112 -0.00006568 -4145 9.96469294 -0.00010096 -0.00006556 -4146 9.96707341 -0.00010081 -0.00006545 -4147 9.96945389 -0.00010065 -0.00006533 -4148 9.97183437 -0.00010050 -0.00006521 -4149 9.97421484 -0.00010034 -0.00006510 -4150 9.97659532 -0.00010019 -0.00006498 -4151 9.97897580 -0.00010003 -0.00006487 -4152 9.98135627 -0.00009988 -0.00006475 -4153 9.98373675 -0.00009972 -0.00006464 -4154 9.98611722 -0.00009957 -0.00006452 -4155 9.98849770 -0.00009942 -0.00006441 -4156 9.99087818 -0.00009926 -0.00006429 -4157 9.99325865 -0.00009911 -0.00006418 -4158 9.99563913 -0.00009896 -0.00006406 -4159 9.99801960 -0.00009880 -0.00006395 -4160 10.00040008 -0.00009865 -0.00006384 -4161 10.00278056 -0.00009850 -0.00006372 -4162 10.00516103 -0.00009835 -0.00006361 -4163 10.00754151 -0.00009820 -0.00006350 -4164 10.00992198 -0.00009805 -0.00006338 -4165 10.01230246 -0.00009790 -0.00006327 -4166 10.01468294 -0.00009775 -0.00006316 -4167 10.01706341 -0.00009760 -0.00006305 -4168 10.01944389 -0.00009745 -0.00006294 -4169 10.02182436 -0.00009730 -0.00006282 -4170 10.02420484 -0.00009715 -0.00006271 -4171 10.02658532 -0.00009700 -0.00006260 -4172 10.02896579 -0.00009685 -0.00006249 -4173 10.03134627 -0.00009670 -0.00006238 -4174 10.03372675 -0.00009655 -0.00006227 -4175 10.03610722 -0.00009640 -0.00006216 -4176 10.03848770 -0.00009626 -0.00006205 -4177 10.04086817 -0.00009611 -0.00006194 -4178 10.04324865 -0.00009596 -0.00006183 -4179 10.04562913 -0.00009581 -0.00006172 -4180 10.04800960 -0.00009567 -0.00006161 -4181 10.05039008 -0.00009552 -0.00006150 -4182 10.05277055 -0.00009537 -0.00006139 -4183 10.05515103 -0.00009523 -0.00006128 -4184 10.05753151 -0.00009508 -0.00006118 -4185 10.05991198 -0.00009494 -0.00006107 -4186 10.06229246 -0.00009479 -0.00006096 -4187 10.06467293 -0.00009465 -0.00006085 -4188 10.06705341 -0.00009450 -0.00006075 -4189 10.06943389 -0.00009436 -0.00006064 -4190 10.07181436 -0.00009421 -0.00006053 -4191 10.07419484 -0.00009407 -0.00006042 -4192 10.07657532 -0.00009393 -0.00006032 -4193 10.07895579 -0.00009378 -0.00006021 -4194 10.08133627 -0.00009364 -0.00006011 -4195 10.08371674 -0.00009350 -0.00006000 -4196 10.08609722 -0.00009335 -0.00005989 -4197 10.08847770 -0.00009321 -0.00005979 -4198 10.09085817 -0.00009307 -0.00005968 -4199 10.09323865 -0.00009293 -0.00005958 -4200 10.09561912 -0.00009278 -0.00005947 -4201 10.09799960 -0.00009264 -0.00005937 -4202 10.10038008 -0.00009250 -0.00005926 -4203 10.10276055 -0.00009236 -0.00005916 -4204 10.10514103 -0.00009222 -0.00005906 -4205 10.10752150 -0.00009208 -0.00005895 -4206 10.10990198 -0.00009194 -0.00005885 -4207 10.11228246 -0.00009180 -0.00005875 -4208 10.11466293 -0.00009166 -0.00005864 -4209 10.11704341 -0.00009152 -0.00005854 -4210 10.11942388 -0.00009138 -0.00005844 -4211 10.12180436 -0.00009124 -0.00005833 -4212 10.12418484 -0.00009110 -0.00005823 -4213 10.12656531 -0.00009097 -0.00005813 -4214 10.12894579 -0.00009083 -0.00005803 -4215 10.13132627 -0.00009069 -0.00005793 -4216 10.13370674 -0.00009055 -0.00005782 -4217 10.13608722 -0.00009041 -0.00005772 -4218 10.13846769 -0.00009028 -0.00005762 -4219 10.14084817 -0.00009014 -0.00005752 -4220 10.14322865 -0.00009000 -0.00005742 -4221 10.14560912 -0.00008987 -0.00005732 -4222 10.14798960 -0.00008973 -0.00005722 -4223 10.15037007 -0.00008959 -0.00005712 -4224 10.15275055 -0.00008946 -0.00005702 -4225 10.15513103 -0.00008932 -0.00005692 -4226 10.15751150 -0.00008919 -0.00005682 -4227 10.15989198 -0.00008905 -0.00005672 -4228 10.16227245 -0.00008892 -0.00005662 -4229 10.16465293 -0.00008878 -0.00005652 -4230 10.16703341 -0.00008865 -0.00005642 -4231 10.16941388 -0.00008851 -0.00005632 -4232 10.17179436 -0.00008838 -0.00005623 -4233 10.17417483 -0.00008825 -0.00005613 -4234 10.17655531 -0.00008811 -0.00005603 -4235 10.17893579 -0.00008798 -0.00005593 -4236 10.18131626 -0.00008785 -0.00005583 -4237 10.18369674 -0.00008771 -0.00005574 -4238 10.18607722 -0.00008758 -0.00005564 -4239 10.18845769 -0.00008745 -0.00005554 -4240 10.19083817 -0.00008732 -0.00005545 -4241 10.19321864 -0.00008718 -0.00005535 -4242 10.19559912 -0.00008705 -0.00005525 -4243 10.19797960 -0.00008692 -0.00005516 -4244 10.20036007 -0.00008679 -0.00005506 -4245 10.20274055 -0.00008666 -0.00005496 -4246 10.20512102 -0.00008653 -0.00005487 -4247 10.20750150 -0.00008640 -0.00005477 -4248 10.20988198 -0.00008627 -0.00005468 -4249 10.21226245 -0.00008614 -0.00005458 -4250 10.21464293 -0.00008601 -0.00005449 -4251 10.21702340 -0.00008588 -0.00005439 -4252 10.21940388 -0.00008575 -0.00005430 -4253 10.22178436 -0.00008562 -0.00005420 -4254 10.22416483 -0.00008549 -0.00005411 -4255 10.22654531 -0.00008536 -0.00005402 -4256 10.22892579 -0.00008523 -0.00005392 -4257 10.23130626 -0.00008511 -0.00005383 -4258 10.23368674 -0.00008498 -0.00005373 -4259 10.23606721 -0.00008485 -0.00005364 -4260 10.23844769 -0.00008472 -0.00005355 -4261 10.24082817 -0.00008459 -0.00005346 -4262 10.24320864 -0.00008447 -0.00005336 -4263 10.24558912 -0.00008434 -0.00005327 -4264 10.24796959 -0.00008421 -0.00005318 -4265 10.25035007 -0.00008409 -0.00005309 -4266 10.25273055 -0.00008396 -0.00005299 -4267 10.25511102 -0.00008383 -0.00005290 -4268 10.25749150 -0.00008371 -0.00005281 -4269 10.25987197 -0.00008358 -0.00005272 -4270 10.26225245 -0.00008346 -0.00005263 -4271 10.26463293 -0.00008333 -0.00005254 -4272 10.26701340 -0.00008321 -0.00005245 -4273 10.26939388 -0.00008308 -0.00005235 -4274 10.27177435 -0.00008296 -0.00005226 -4275 10.27415483 -0.00008283 -0.00005217 -4276 10.27653531 -0.00008271 -0.00005208 -4277 10.27891578 -0.00008259 -0.00005199 -4278 10.28129626 -0.00008246 -0.00005190 -4279 10.28367674 -0.00008234 -0.00005181 -4280 10.28605721 -0.00008222 -0.00005172 -4281 10.28843769 -0.00008209 -0.00005163 -4282 10.29081816 -0.00008197 -0.00005155 -4283 10.29319864 -0.00008185 -0.00005146 -4284 10.29557912 -0.00008173 -0.00005137 -4285 10.29795959 -0.00008160 -0.00005128 -4286 10.30034007 -0.00008148 -0.00005119 -4287 10.30272054 -0.00008136 -0.00005110 -4288 10.30510102 -0.00008124 -0.00005101 -4289 10.30748150 -0.00008112 -0.00005093 -4290 10.30986197 -0.00008100 -0.00005084 -4291 10.31224245 -0.00008087 -0.00005075 -4292 10.31462292 -0.00008075 -0.00005066 -4293 10.31700340 -0.00008063 -0.00005058 -4294 10.31938388 -0.00008051 -0.00005049 -4295 10.32176435 -0.00008039 -0.00005040 -4296 10.32414483 -0.00008027 -0.00005032 -4297 10.32652531 -0.00008015 -0.00005023 -4298 10.32890578 -0.00008003 -0.00005014 -4299 10.33128626 -0.00007991 -0.00005006 -4300 10.33366673 -0.00007980 -0.00004997 -4301 10.33604721 -0.00007968 -0.00004988 -4302 10.33842769 -0.00007956 -0.00004980 -4303 10.34080816 -0.00007944 -0.00004971 -4304 10.34318864 -0.00007932 -0.00004963 -4305 10.34556911 -0.00007920 -0.00004954 -4306 10.34794959 -0.00007909 -0.00004946 -4307 10.35033007 -0.00007897 -0.00004937 -4308 10.35271054 -0.00007885 -0.00004929 -4309 10.35509102 -0.00007873 -0.00004920 -4310 10.35747149 -0.00007862 -0.00004912 -4311 10.35985197 -0.00007850 -0.00004903 -4312 10.36223245 -0.00007838 -0.00004895 -4313 10.36461292 -0.00007827 -0.00004887 -4314 10.36699340 -0.00007815 -0.00004878 -4315 10.36937387 -0.00007803 -0.00004870 -4316 10.37175435 -0.00007792 -0.00004862 -4317 10.37413483 -0.00007780 -0.00004853 -4318 10.37651530 -0.00007769 -0.00004845 -4319 10.37889578 -0.00007757 -0.00004837 -4320 10.38127626 -0.00007746 -0.00004828 -4321 10.38365673 -0.00007734 -0.00004820 -4322 10.38603721 -0.00007723 -0.00004812 -4323 10.38841768 -0.00007711 -0.00004804 -4324 10.39079816 -0.00007700 -0.00004795 -4325 10.39317864 -0.00007688 -0.00004787 -4326 10.39555911 -0.00007677 -0.00004779 -4327 10.39793959 -0.00007666 -0.00004771 -4328 10.40032006 -0.00007654 -0.00004763 -4329 10.40270054 -0.00007643 -0.00004755 -4330 10.40508102 -0.00007632 -0.00004746 -4331 10.40746149 -0.00007620 -0.00004738 -4332 10.40984197 -0.00007609 -0.00004730 -4333 10.41222244 -0.00007598 -0.00004722 -4334 10.41460292 -0.00007587 -0.00004714 -4335 10.41698340 -0.00007575 -0.00004706 -4336 10.41936387 -0.00007564 -0.00004698 -4337 10.42174435 -0.00007553 -0.00004690 -4338 10.42412482 -0.00007542 -0.00004682 -4339 10.42650530 -0.00007531 -0.00004674 -4340 10.42888578 -0.00007520 -0.00004666 -4341 10.43126625 -0.00007509 -0.00004658 -4342 10.43364673 -0.00007498 -0.00004650 -4343 10.43602721 -0.00007486 -0.00004642 -4344 10.43840768 -0.00007475 -0.00004634 -4345 10.44078816 -0.00007464 -0.00004626 -4346 10.44316863 -0.00007453 -0.00004619 -4347 10.44554911 -0.00007442 -0.00004611 -4348 10.44792959 -0.00007431 -0.00004603 -4349 10.45031006 -0.00007421 -0.00004595 -4350 10.45269054 -0.00007410 -0.00004587 -4351 10.45507101 -0.00007399 -0.00004579 -4352 10.45745149 -0.00007388 -0.00004572 -4353 10.45983197 -0.00007377 -0.00004564 -4354 10.46221244 -0.00007366 -0.00004556 -4355 10.46459292 -0.00007355 -0.00004548 -4356 10.46697339 -0.00007344 -0.00004541 -4357 10.46935387 -0.00007334 -0.00004533 -4358 10.47173435 -0.00007323 -0.00004525 -4359 10.47411482 -0.00007312 -0.00004518 -4360 10.47649530 -0.00007301 -0.00004510 -4361 10.47887578 -0.00007291 -0.00004502 -4362 10.48125625 -0.00007280 -0.00004495 -4363 10.48363673 -0.00007269 -0.00004487 -4364 10.48601720 -0.00007258 -0.00004479 -4365 10.48839768 -0.00007248 -0.00004472 -4366 10.49077816 -0.00007237 -0.00004464 -4367 10.49315863 -0.00007227 -0.00004457 -4368 10.49553911 -0.00007216 -0.00004449 -4369 10.49791958 -0.00007205 -0.00004442 -4370 10.50030006 -0.00007195 -0.00004434 -4371 10.50268054 -0.00007184 -0.00004427 -4372 10.50506101 -0.00007174 -0.00004419 -4373 10.50744149 -0.00007163 -0.00004412 -4374 10.50982196 -0.00007153 -0.00004404 -4375 10.51220244 -0.00007142 -0.00004397 -4376 10.51458292 -0.00007132 -0.00004389 -4377 10.51696339 -0.00007121 -0.00004382 -4378 10.51934387 -0.00007111 -0.00004375 -4379 10.52172434 -0.00007101 -0.00004367 -4380 10.52410482 -0.00007090 -0.00004360 -4381 10.52648530 -0.00007080 -0.00004352 -4382 10.52886577 -0.00007069 -0.00004345 -4383 10.53124625 -0.00007059 -0.00004338 -4384 10.53362673 -0.00007049 -0.00004330 -4385 10.53600720 -0.00007039 -0.00004323 -4386 10.53838768 -0.00007028 -0.00004316 -4387 10.54076815 -0.00007018 -0.00004309 -4388 10.54314863 -0.00007008 -0.00004301 -4389 10.54552911 -0.00006997 -0.00004294 -4390 10.54790958 -0.00006987 -0.00004287 -4391 10.55029006 -0.00006977 -0.00004280 -4392 10.55267053 -0.00006967 -0.00004272 -4393 10.55505101 -0.00006957 -0.00004265 -4394 10.55743149 -0.00006947 -0.00004258 -4395 10.55981196 -0.00006936 -0.00004251 -4396 10.56219244 -0.00006926 -0.00004244 -4397 10.56457291 -0.00006916 -0.00004237 -4398 10.56695339 -0.00006906 -0.00004229 -4399 10.56933387 -0.00006896 -0.00004222 -4400 10.57171434 -0.00006886 -0.00004215 -4401 10.57409482 -0.00006876 -0.00004208 -4402 10.57647530 -0.00006866 -0.00004201 -4403 10.57885577 -0.00006856 -0.00004194 -4404 10.58123625 -0.00006846 -0.00004187 -4405 10.58361672 -0.00006836 -0.00004180 -4406 10.58599720 -0.00006826 -0.00004173 -4407 10.58837768 -0.00006816 -0.00004166 -4408 10.59075815 -0.00006806 -0.00004159 -4409 10.59313863 -0.00006796 -0.00004152 -4410 10.59551910 -0.00006787 -0.00004145 -4411 10.59789958 -0.00006777 -0.00004138 -4412 10.60028006 -0.00006767 -0.00004131 -4413 10.60266053 -0.00006757 -0.00004124 -4414 10.60504101 -0.00006747 -0.00004117 -4415 10.60742148 -0.00006737 -0.00004110 -4416 10.60980196 -0.00006728 -0.00004103 -4417 10.61218244 -0.00006718 -0.00004097 -4418 10.61456291 -0.00006708 -0.00004090 -4419 10.61694339 -0.00006698 -0.00004083 -4420 10.61932386 -0.00006689 -0.00004076 -4421 10.62170434 -0.00006679 -0.00004069 -4422 10.62408482 -0.00006669 -0.00004062 -4423 10.62646529 -0.00006660 -0.00004056 -4424 10.62884577 -0.00006650 -0.00004049 -4425 10.63122625 -0.00006640 -0.00004042 -4426 10.63360672 -0.00006631 -0.00004035 -4427 10.63598720 -0.00006621 -0.00004029 -4428 10.63836767 -0.00006612 -0.00004022 -4429 10.64074815 -0.00006602 -0.00004015 -4430 10.64312863 -0.00006593 -0.00004008 -4431 10.64550910 -0.00006583 -0.00004002 -4432 10.64788958 -0.00006573 -0.00003995 -4433 10.65027005 -0.00006564 -0.00003988 -4434 10.65265053 -0.00006554 -0.00003982 -4435 10.65503101 -0.00006545 -0.00003975 -4436 10.65741148 -0.00006536 -0.00003968 -4437 10.65979196 -0.00006526 -0.00003962 -4438 10.66217243 -0.00006517 -0.00003955 -4439 10.66455291 -0.00006507 -0.00003949 -4440 10.66693339 -0.00006498 -0.00003942 -4441 10.66931386 -0.00006488 -0.00003936 -4442 10.67169434 -0.00006479 -0.00003929 -4443 10.67407481 -0.00006470 -0.00003922 -4444 10.67645529 -0.00006460 -0.00003916 -4445 10.67883577 -0.00006451 -0.00003909 -4446 10.68121624 -0.00006442 -0.00003903 -4447 10.68359672 -0.00006433 -0.00003896 -4448 10.68597720 -0.00006423 -0.00003890 -4449 10.68835767 -0.00006414 -0.00003883 -4450 10.69073815 -0.00006405 -0.00003877 -4451 10.69311862 -0.00006396 -0.00003871 -4452 10.69549910 -0.00006386 -0.00003864 -4453 10.69787958 -0.00006377 -0.00003858 -4454 10.70026005 -0.00006368 -0.00003851 -4455 10.70264053 -0.00006359 -0.00003845 -4456 10.70502100 -0.00006350 -0.00003838 -4457 10.70740148 -0.00006341 -0.00003832 -4458 10.70978196 -0.00006331 -0.00003826 -4459 10.71216243 -0.00006322 -0.00003819 -4460 10.71454291 -0.00006313 -0.00003813 -4461 10.71692338 -0.00006304 -0.00003807 -4462 10.71930386 -0.00006295 -0.00003800 -4463 10.72168434 -0.00006286 -0.00003794 -4464 10.72406481 -0.00006277 -0.00003788 -4465 10.72644529 -0.00006268 -0.00003782 -4466 10.72882577 -0.00006259 -0.00003775 -4467 10.73120624 -0.00006250 -0.00003769 -4468 10.73358672 -0.00006241 -0.00003763 -4469 10.73596719 -0.00006232 -0.00003757 -4470 10.73834767 -0.00006223 -0.00003750 -4471 10.74072815 -0.00006214 -0.00003744 -4472 10.74310862 -0.00006205 -0.00003738 -4473 10.74548910 -0.00006197 -0.00003732 -4474 10.74786957 -0.00006188 -0.00003726 -4475 10.75025005 -0.00006179 -0.00003719 -4476 10.75263053 -0.00006170 -0.00003713 -4477 10.75501100 -0.00006161 -0.00003707 -4478 10.75739148 -0.00006152 -0.00003701 -4479 10.75977195 -0.00006144 -0.00003695 -4480 10.76215243 -0.00006135 -0.00003689 -4481 10.76453291 -0.00006126 -0.00003683 -4482 10.76691338 -0.00006117 -0.00003677 -4483 10.76929386 -0.00006108 -0.00003671 -4484 10.77167433 -0.00006100 -0.00003665 -4485 10.77405481 -0.00006091 -0.00003658 -4486 10.77643529 -0.00006082 -0.00003652 -4487 10.77881576 -0.00006074 -0.00003646 -4488 10.78119624 -0.00006065 -0.00003640 -4489 10.78357672 -0.00006056 -0.00003634 -4490 10.78595719 -0.00006048 -0.00003628 -4491 10.78833767 -0.00006039 -0.00003622 -4492 10.79071814 -0.00006030 -0.00003616 -4493 10.79309862 -0.00006022 -0.00003611 -4494 10.79547910 -0.00006013 -0.00003605 -4495 10.79785957 -0.00006005 -0.00003599 -4496 10.80024005 -0.00005996 -0.00003593 -4497 10.80262052 -0.00005988 -0.00003587 -4498 10.80500100 -0.00005979 -0.00003581 -4499 10.80738148 -0.00005970 -0.00003575 -4500 10.80976195 -0.00005962 -0.00003569 -4501 10.81214243 -0.00005953 -0.00003563 -4502 10.81452290 -0.00005945 -0.00003557 -4503 10.81690338 -0.00005937 -0.00003552 -4504 10.81928386 -0.00005928 -0.00003546 -4505 10.82166433 -0.00005920 -0.00003540 -4506 10.82404481 -0.00005911 -0.00003534 -4507 10.82642529 -0.00005903 -0.00003528 -4508 10.82880576 -0.00005894 -0.00003523 -4509 10.83118624 -0.00005886 -0.00003517 -4510 10.83356671 -0.00005878 -0.00003511 -4511 10.83594719 -0.00005869 -0.00003505 -4512 10.83832767 -0.00005861 -0.00003499 -4513 10.84070814 -0.00005853 -0.00003494 -4514 10.84308862 -0.00005844 -0.00003488 -4515 10.84546909 -0.00005836 -0.00003482 -4516 10.84784957 -0.00005828 -0.00003477 -4517 10.85023005 -0.00005820 -0.00003471 -4518 10.85261052 -0.00005811 -0.00003465 -4519 10.85499100 -0.00005803 -0.00003460 -4520 10.85737147 -0.00005795 -0.00003454 -4521 10.85975195 -0.00005787 -0.00003448 -4522 10.86213243 -0.00005778 -0.00003443 -4523 10.86451290 -0.00005770 -0.00003437 -4524 10.86689338 -0.00005762 -0.00003431 -4525 10.86927385 -0.00005754 -0.00003426 -4526 10.87165433 -0.00005746 -0.00003420 -4527 10.87403481 -0.00005738 -0.00003415 -4528 10.87641528 -0.00005729 -0.00003409 -4529 10.87879576 -0.00005721 -0.00003403 -4530 10.88117624 -0.00005713 -0.00003398 -4531 10.88355671 -0.00005705 -0.00003392 -4532 10.88593719 -0.00005697 -0.00003387 -4533 10.88831766 -0.00005689 -0.00003381 -4534 10.89069814 -0.00005681 -0.00003376 -4535 10.89307862 -0.00005673 -0.00003370 -4536 10.89545909 -0.00005665 -0.00003365 -4537 10.89783957 -0.00005657 -0.00003359 -4538 10.90022004 -0.00005649 -0.00003354 -4539 10.90260052 -0.00005641 -0.00003348 -4540 10.90498100 -0.00005633 -0.00003343 -4541 10.90736147 -0.00005625 -0.00003337 -4542 10.90974195 -0.00005617 -0.00003332 -4543 10.91212242 -0.00005609 -0.00003326 -4544 10.91450290 -0.00005601 -0.00003321 -4545 10.91688338 -0.00005593 -0.00003316 -4546 10.91926385 -0.00005586 -0.00003310 -4547 10.92164433 -0.00005578 -0.00003305 -4548 10.92402480 -0.00005570 -0.00003300 -4549 10.92640528 -0.00005562 -0.00003294 -4550 10.92878576 -0.00005554 -0.00003289 -4551 10.93116623 -0.00005546 -0.00003283 -4552 10.93354671 -0.00005538 -0.00003278 -4553 10.93592719 -0.00005531 -0.00003273 -4554 10.93830766 -0.00005523 -0.00003267 -4555 10.94068814 -0.00005515 -0.00003262 -4556 10.94306861 -0.00005507 -0.00003257 -4557 10.94544909 -0.00005500 -0.00003252 -4558 10.94782957 -0.00005492 -0.00003246 -4559 10.95021004 -0.00005484 -0.00003241 -4560 10.95259052 -0.00005476 -0.00003236 -4561 10.95497099 -0.00005469 -0.00003230 -4562 10.95735147 -0.00005461 -0.00003225 -4563 10.95973195 -0.00005453 -0.00003220 -4564 10.96211242 -0.00005446 -0.00003215 -4565 10.96449290 -0.00005438 -0.00003210 -4566 10.96687337 -0.00005430 -0.00003204 -4567 10.96925385 -0.00005423 -0.00003199 -4568 10.97163433 -0.00005415 -0.00003194 -4569 10.97401480 -0.00005408 -0.00003189 -4570 10.97639528 -0.00005400 -0.00003184 -4571 10.97877576 -0.00005392 -0.00003179 -4572 10.98115623 -0.00005385 -0.00003173 -4573 10.98353671 -0.00005377 -0.00003168 -4574 10.98591718 -0.00005370 -0.00003163 -4575 10.98829766 -0.00005362 -0.00003158 -4576 10.99067814 -0.00005355 -0.00003153 -4577 10.99305861 -0.00005347 -0.00003148 -4578 10.99543909 -0.00005340 -0.00003143 -4579 10.99781956 -0.00005332 -0.00003138 -4580 11.00020004 -0.00005325 -0.00003133 -4581 11.00258052 -0.00005317 -0.00003128 -4582 11.00496099 -0.00005310 -0.00003122 -4583 11.00734147 -0.00005303 -0.00003117 -4584 11.00972194 -0.00005295 -0.00003112 -4585 11.01210242 -0.00005288 -0.00003107 -4586 11.01448290 -0.00005280 -0.00003102 -4587 11.01686337 -0.00005273 -0.00003097 -4588 11.01924385 -0.00005266 -0.00003092 -4589 11.02162432 -0.00005258 -0.00003087 -4590 11.02400480 -0.00005251 -0.00003082 -4591 11.02638528 -0.00005244 -0.00003077 -4592 11.02876575 -0.00005236 -0.00003072 -4593 11.03114623 -0.00005229 -0.00003067 -4594 11.03352671 -0.00005222 -0.00003063 -4595 11.03590718 -0.00005214 -0.00003058 -4596 11.03828766 -0.00005207 -0.00003053 -4597 11.04066813 -0.00005200 -0.00003048 -4598 11.04304861 -0.00005193 -0.00003043 -4599 11.04542909 -0.00005185 -0.00003038 -4600 11.04780956 -0.00005178 -0.00003033 -4601 11.05019004 -0.00005171 -0.00003028 -4602 11.05257051 -0.00005164 -0.00003023 -4603 11.05495099 -0.00005156 -0.00003018 -4604 11.05733147 -0.00005149 -0.00003014 -4605 11.05971194 -0.00005142 -0.00003009 -4606 11.06209242 -0.00005135 -0.00003004 -4607 11.06447289 -0.00005128 -0.00002999 -4608 11.06685337 -0.00005121 -0.00002994 -4609 11.06923385 -0.00005114 -0.00002990 -4610 11.07161432 -0.00005106 -0.00002985 -4611 11.07399480 -0.00005099 -0.00002980 -4612 11.07637528 -0.00005092 -0.00002975 -4613 11.07875575 -0.00005085 -0.00002970 -4614 11.08113623 -0.00005078 -0.00002966 -4615 11.08351670 -0.00005071 -0.00002961 -4616 11.08589718 -0.00005064 -0.00002956 -4617 11.08827766 -0.00005057 -0.00002951 -4618 11.09065813 -0.00005050 -0.00002947 -4619 11.09303861 -0.00005043 -0.00002942 -4620 11.09541908 -0.00005036 -0.00002937 -4621 11.09779956 -0.00005029 -0.00002932 -4622 11.10018004 -0.00005022 -0.00002928 -4623 11.10256051 -0.00005015 -0.00002923 -4624 11.10494099 -0.00005008 -0.00002918 -4625 11.10732146 -0.00005001 -0.00002914 -4626 11.10970194 -0.00004994 -0.00002909 -4627 11.11208242 -0.00004987 -0.00002904 -4628 11.11446289 -0.00004980 -0.00002900 -4629 11.11684337 -0.00004974 -0.00002895 -4630 11.11922384 -0.00004967 -0.00002891 -4631 11.12160432 -0.00004960 -0.00002886 -4632 11.12398480 -0.00004953 -0.00002881 -4633 11.12636527 -0.00004946 -0.00002877 -4634 11.12874575 -0.00004939 -0.00002872 -4635 11.13112623 -0.00004932 -0.00002868 -4636 11.13350670 -0.00004926 -0.00002863 -4637 11.13588718 -0.00004919 -0.00002858 -4638 11.13826765 -0.00004912 -0.00002854 -4639 11.14064813 -0.00004905 -0.00002849 -4640 11.14302861 -0.00004898 -0.00002845 -4641 11.14540908 -0.00004892 -0.00002840 -4642 11.14778956 -0.00004885 -0.00002836 -4643 11.15017003 -0.00004878 -0.00002831 -4644 11.15255051 -0.00004871 -0.00002827 -4645 11.15493099 -0.00004865 -0.00002822 -4646 11.15731146 -0.00004858 -0.00002818 -4647 11.15969194 -0.00004851 -0.00002813 -4648 11.16207241 -0.00004845 -0.00002809 -4649 11.16445289 -0.00004838 -0.00002804 -4650 11.16683337 -0.00004831 -0.00002800 -4651 11.16921384 -0.00004825 -0.00002795 -4652 11.17159432 -0.00004818 -0.00002791 -4653 11.17397479 -0.00004811 -0.00002786 -4654 11.17635527 -0.00004805 -0.00002782 -4655 11.17873575 -0.00004798 -0.00002778 -4656 11.18111622 -0.00004791 -0.00002773 -4657 11.18349670 -0.00004785 -0.00002769 -4658 11.18587718 -0.00004778 -0.00002764 -4659 11.18825765 -0.00004772 -0.00002760 -4660 11.19063813 -0.00004765 -0.00002756 -4661 11.19301860 -0.00004759 -0.00002751 -4662 11.19539908 -0.00004752 -0.00002747 -4663 11.19777956 -0.00004745 -0.00002742 -4664 11.20016003 -0.00004739 -0.00002738 -4665 11.20254051 -0.00004732 -0.00002734 -4666 11.20492098 -0.00004726 -0.00002729 -4667 11.20730146 -0.00004719 -0.00002725 -4668 11.20968194 -0.00004713 -0.00002721 -4669 11.21206241 -0.00004706 -0.00002716 -4670 11.21444289 -0.00004700 -0.00002712 -4671 11.21682336 -0.00004694 -0.00002708 -4672 11.21920384 -0.00004687 -0.00002704 -4673 11.22158432 -0.00004681 -0.00002699 -4674 11.22396479 -0.00004674 -0.00002695 -4675 11.22634527 -0.00004668 -0.00002691 -4676 11.22872575 -0.00004661 -0.00002686 -4677 11.23110622 -0.00004655 -0.00002682 -4678 11.23348670 -0.00004649 -0.00002678 -4679 11.23586717 -0.00004642 -0.00002674 -4680 11.23824765 -0.00004636 -0.00002669 -4681 11.24062813 -0.00004630 -0.00002665 -4682 11.24300860 -0.00004623 -0.00002661 -4683 11.24538908 -0.00004617 -0.00002657 -4684 11.24776955 -0.00004611 -0.00002653 -4685 11.25015003 -0.00004604 -0.00002648 -4686 11.25253051 -0.00004598 -0.00002644 -4687 11.25491098 -0.00004592 -0.00002640 -4688 11.25729146 -0.00004585 -0.00002636 -4689 11.25967193 -0.00004579 -0.00002632 -4690 11.26205241 -0.00004573 -0.00002628 -4691 11.26443289 -0.00004567 -0.00002623 -4692 11.26681336 -0.00004560 -0.00002619 -4693 11.26919384 -0.00004554 -0.00002615 -4694 11.27157431 -0.00004548 -0.00002611 -4695 11.27395479 -0.00004542 -0.00002607 -4696 11.27633527 -0.00004536 -0.00002603 -4697 11.27871574 -0.00004529 -0.00002599 -4698 11.28109622 -0.00004523 -0.00002595 -4699 11.28347670 -0.00004517 -0.00002591 -4700 11.28585717 -0.00004511 -0.00002586 -4701 11.28823765 -0.00004505 -0.00002582 -4702 11.29061812 -0.00004499 -0.00002578 -4703 11.29299860 -0.00004492 -0.00002574 -4704 11.29537908 -0.00004486 -0.00002570 -4705 11.29775955 -0.00004480 -0.00002566 -4706 11.30014003 -0.00004474 -0.00002562 -4707 11.30252050 -0.00004468 -0.00002558 -4708 11.30490098 -0.00004462 -0.00002554 -4709 11.30728146 -0.00004456 -0.00002550 -4710 11.30966193 -0.00004450 -0.00002546 -4711 11.31204241 -0.00004444 -0.00002542 -4712 11.31442288 -0.00004438 -0.00002538 -4713 11.31680336 -0.00004432 -0.00002534 -4714 11.31918384 -0.00004426 -0.00002530 -4715 11.32156431 -0.00004420 -0.00002526 -4716 11.32394479 -0.00004414 -0.00002522 -4717 11.32632527 -0.00004408 -0.00002518 -4718 11.32870574 -0.00004402 -0.00002514 -4719 11.33108622 -0.00004396 -0.00002510 -4720 11.33346669 -0.00004390 -0.00002506 -4721 11.33584717 -0.00004384 -0.00002502 -4722 11.33822765 -0.00004378 -0.00002499 -4723 11.34060812 -0.00004372 -0.00002495 -4724 11.34298860 -0.00004366 -0.00002491 -4725 11.34536907 -0.00004360 -0.00002487 -4726 11.34774955 -0.00004354 -0.00002483 -4727 11.35013003 -0.00004348 -0.00002479 -4728 11.35251050 -0.00004342 -0.00002475 -4729 11.35489098 -0.00004336 -0.00002471 -4730 11.35727145 -0.00004330 -0.00002467 -4731 11.35965193 -0.00004325 -0.00002464 -4732 11.36203241 -0.00004319 -0.00002460 -4733 11.36441288 -0.00004313 -0.00002456 -4734 11.36679336 -0.00004307 -0.00002452 -4735 11.36917383 -0.00004301 -0.00002448 -4736 11.37155431 -0.00004295 -0.00002444 -4737 11.37393479 -0.00004290 -0.00002441 -4738 11.37631526 -0.00004284 -0.00002437 -4739 11.37869574 -0.00004278 -0.00002433 -4740 11.38107622 -0.00004272 -0.00002429 -4741 11.38345669 -0.00004266 -0.00002425 -4742 11.38583717 -0.00004261 -0.00002422 -4743 11.38821764 -0.00004255 -0.00002418 -4744 11.39059812 -0.00004249 -0.00002414 -4745 11.39297860 -0.00004243 -0.00002410 -4746 11.39535907 -0.00004238 -0.00002406 -4747 11.39773955 -0.00004232 -0.00002403 -4748 11.40012002 -0.00004226 -0.00002399 -4749 11.40250050 -0.00004220 -0.00002395 -4750 11.40488098 -0.00004215 -0.00002391 -4751 11.40726145 -0.00004209 -0.00002388 -4752 11.40964193 -0.00004203 -0.00002384 -4753 11.41202240 -0.00004198 -0.00002380 -4754 11.41440288 -0.00004192 -0.00002377 -4755 11.41678336 -0.00004186 -0.00002373 -4756 11.41916383 -0.00004181 -0.00002369 -4757 11.42154431 -0.00004175 -0.00002366 -4758 11.42392478 -0.00004169 -0.00002362 -4759 11.42630526 -0.00004164 -0.00002358 -4760 11.42868574 -0.00004158 -0.00002355 -4761 11.43106621 -0.00004153 -0.00002351 -4762 11.43344669 -0.00004147 -0.00002347 -4763 11.43582717 -0.00004141 -0.00002344 -4764 11.43820764 -0.00004136 -0.00002340 -4765 11.44058812 -0.00004130 -0.00002336 -4766 11.44296859 -0.00004125 -0.00002333 -4767 11.44534907 -0.00004119 -0.00002329 -4768 11.44772955 -0.00004114 -0.00002325 -4769 11.45011002 -0.00004108 -0.00002322 -4770 11.45249050 -0.00004103 -0.00002318 -4771 11.45487097 -0.00004097 -0.00002315 -4772 11.45725145 -0.00004092 -0.00002311 -4773 11.45963193 -0.00004086 -0.00002307 -4774 11.46201240 -0.00004081 -0.00002304 -4775 11.46439288 -0.00004075 -0.00002300 -4776 11.46677335 -0.00004070 -0.00002297 -4777 11.46915383 -0.00004064 -0.00002293 -4778 11.47153431 -0.00004059 -0.00002290 -4779 11.47391478 -0.00004053 -0.00002286 -4780 11.47629526 -0.00004048 -0.00002283 -4781 11.47867574 -0.00004042 -0.00002279 -4782 11.48105621 -0.00004037 -0.00002275 -4783 11.48343669 -0.00004032 -0.00002272 -4784 11.48581716 -0.00004026 -0.00002268 -4785 11.48819764 -0.00004021 -0.00002265 -4786 11.49057812 -0.00004015 -0.00002261 -4787 11.49295859 -0.00004010 -0.00002258 -4788 11.49533907 -0.00004005 -0.00002254 -4789 11.49771954 -0.00003999 -0.00002251 -4790 11.50010002 -0.00003994 -0.00002247 -4791 11.50248050 -0.00003989 -0.00002244 -4792 11.50486097 -0.00003983 -0.00002241 -4793 11.50724145 -0.00003978 -0.00002237 -4794 11.50962192 -0.00003973 -0.00002234 -4795 11.51200240 -0.00003967 -0.00002230 -4796 11.51438288 -0.00003962 -0.00002227 -4797 11.51676335 -0.00003957 -0.00002223 -4798 11.51914383 -0.00003951 -0.00002220 -4799 11.52152430 -0.00003946 -0.00002216 -4800 11.52390478 -0.00003941 -0.00002213 -4801 11.52628526 -0.00003936 -0.00002210 -4802 11.52866573 -0.00003930 -0.00002206 -4803 11.53104621 -0.00003925 -0.00002203 -4804 11.53342669 -0.00003920 -0.00002199 -4805 11.53580716 -0.00003915 -0.00002196 -4806 11.53818764 -0.00003909 -0.00002193 -4807 11.54056811 -0.00003904 -0.00002189 -4808 11.54294859 -0.00003899 -0.00002186 -4809 11.54532907 -0.00003894 -0.00002182 -4810 11.54770954 -0.00003889 -0.00002179 -4811 11.55009002 -0.00003883 -0.00002176 -4812 11.55247049 -0.00003878 -0.00002172 -4813 11.55485097 -0.00003873 -0.00002169 -4814 11.55723145 -0.00003868 -0.00002166 -4815 11.55961192 -0.00003863 -0.00002162 -4816 11.56199240 -0.00003858 -0.00002159 -4817 11.56437287 -0.00003852 -0.00002156 -4818 11.56675335 -0.00003847 -0.00002152 -4819 11.56913383 -0.00003842 -0.00002149 -4820 11.57151430 -0.00003837 -0.00002146 -4821 11.57389478 -0.00003832 -0.00002143 -4822 11.57627526 -0.00003827 -0.00002139 -4823 11.57865573 -0.00003822 -0.00002136 -4824 11.58103621 -0.00003817 -0.00002133 -4825 11.58341668 -0.00003812 -0.00002129 -4826 11.58579716 -0.00003807 -0.00002126 -4827 11.58817764 -0.00003802 -0.00002123 -4828 11.59055811 -0.00003797 -0.00002120 -4829 11.59293859 -0.00003791 -0.00002116 -4830 11.59531906 -0.00003786 -0.00002113 -4831 11.59769954 -0.00003781 -0.00002110 -4832 11.60008002 -0.00003776 -0.00002107 -4833 11.60246049 -0.00003771 -0.00002103 -4834 11.60484097 -0.00003766 -0.00002100 -4835 11.60722144 -0.00003761 -0.00002097 -4836 11.60960192 -0.00003756 -0.00002094 -4837 11.61198240 -0.00003751 -0.00002091 -4838 11.61436287 -0.00003746 -0.00002087 -4839 11.61674335 -0.00003741 -0.00002084 -4840 11.61912382 -0.00003737 -0.00002081 -4841 11.62150430 -0.00003732 -0.00002078 -4842 11.62388478 -0.00003727 -0.00002075 -4843 11.62626525 -0.00003722 -0.00002071 -4844 11.62864573 -0.00003717 -0.00002068 -4845 11.63102621 -0.00003712 -0.00002065 -4846 11.63340668 -0.00003707 -0.00002062 -4847 11.63578716 -0.00003702 -0.00002059 -4848 11.63816763 -0.00003697 -0.00002056 -4849 11.64054811 -0.00003692 -0.00002053 -4850 11.64292859 -0.00003687 -0.00002049 -4851 11.64530906 -0.00003682 -0.00002046 -4852 11.64768954 -0.00003678 -0.00002043 -4853 11.65007001 -0.00003673 -0.00002040 -4854 11.65245049 -0.00003668 -0.00002037 -4855 11.65483097 -0.00003663 -0.00002034 -4856 11.65721144 -0.00003658 -0.00002031 -4857 11.65959192 -0.00003653 -0.00002028 -4858 11.66197239 -0.00003649 -0.00002025 -4859 11.66435287 -0.00003644 -0.00002021 -4860 11.66673335 -0.00003639 -0.00002018 -4861 11.66911382 -0.00003634 -0.00002015 -4862 11.67149430 -0.00003629 -0.00002012 -4863 11.67387477 -0.00003625 -0.00002009 -4864 11.67625525 -0.00003620 -0.00002006 -4865 11.67863573 -0.00003615 -0.00002003 -4866 11.68101620 -0.00003610 -0.00002000 -4867 11.68339668 -0.00003605 -0.00001997 -4868 11.68577716 -0.00003601 -0.00001994 -4869 11.68815763 -0.00003596 -0.00001991 -4870 11.69053811 -0.00003591 -0.00001988 -4871 11.69291858 -0.00003587 -0.00001985 -4872 11.69529906 -0.00003582 -0.00001982 -4873 11.69767954 -0.00003577 -0.00001979 -4874 11.70006001 -0.00003572 -0.00001976 -4875 11.70244049 -0.00003568 -0.00001973 -4876 11.70482096 -0.00003563 -0.00001970 -4877 11.70720144 -0.00003558 -0.00001967 -4878 11.70958192 -0.00003554 -0.00001964 -4879 11.71196239 -0.00003549 -0.00001961 -4880 11.71434287 -0.00003544 -0.00001958 -4881 11.71672334 -0.00003540 -0.00001955 -4882 11.71910382 -0.00003535 -0.00001952 -4883 11.72148430 -0.00003530 -0.00001949 -4884 11.72386477 -0.00003526 -0.00001946 -4885 11.72624525 -0.00003521 -0.00001943 -4886 11.72862573 -0.00003516 -0.00001940 -4887 11.73100620 -0.00003512 -0.00001937 -4888 11.73338668 -0.00003507 -0.00001934 -4889 11.73576715 -0.00003503 -0.00001931 -4890 11.73814763 -0.00003498 -0.00001928 -4891 11.74052811 -0.00003493 -0.00001926 -4892 11.74290858 -0.00003489 -0.00001923 -4893 11.74528906 -0.00003484 -0.00001920 -4894 11.74766953 -0.00003480 -0.00001917 -4895 11.75005001 -0.00003475 -0.00001914 -4896 11.75243049 -0.00003471 -0.00001911 -4897 11.75481096 -0.00003466 -0.00001908 -4898 11.75719144 -0.00003462 -0.00001905 -4899 11.75957191 -0.00003457 -0.00001902 -4900 11.76195239 -0.00003452 -0.00001899 -4901 11.76433287 -0.00003448 -0.00001897 -4902 11.76671334 -0.00003443 -0.00001894 -4903 11.76909382 -0.00003439 -0.00001891 -4904 11.77147429 -0.00003434 -0.00001888 -4905 11.77385477 -0.00003430 -0.00001885 -4906 11.77623525 -0.00003425 -0.00001882 -4907 11.77861572 -0.00003421 -0.00001879 -4908 11.78099620 -0.00003417 -0.00001877 -4909 11.78337668 -0.00003412 -0.00001874 -4910 11.78575715 -0.00003408 -0.00001871 -4911 11.78813763 -0.00003403 -0.00001868 -4912 11.79051810 -0.00003399 -0.00001865 -4913 11.79289858 -0.00003394 -0.00001863 -4914 11.79527906 -0.00003390 -0.00001860 -4915 11.79765953 -0.00003385 -0.00001857 -4916 11.80004001 -0.00003381 -0.00001854 -4917 11.80242048 -0.00003377 -0.00001851 -4918 11.80480096 -0.00003372 -0.00001849 -4919 11.80718144 -0.00003368 -0.00001846 -4920 11.80956191 -0.00003363 -0.00001843 -4921 11.81194239 -0.00003359 -0.00001840 -4922 11.81432286 -0.00003355 -0.00001837 -4923 11.81670334 -0.00003350 -0.00001835 -4924 11.81908382 -0.00003346 -0.00001832 -4925 11.82146429 -0.00003342 -0.00001829 -4926 11.82384477 -0.00003337 -0.00001826 -4927 11.82622525 -0.00003333 -0.00001824 -4928 11.82860572 -0.00003329 -0.00001821 -4929 11.83098620 -0.00003324 -0.00001818 -4930 11.83336667 -0.00003320 -0.00001815 -4931 11.83574715 -0.00003316 -0.00001813 -4932 11.83812763 -0.00003311 -0.00001810 -4933 11.84050810 -0.00003307 -0.00001807 -4934 11.84288858 -0.00003303 -0.00001805 -4935 11.84526905 -0.00003298 -0.00001802 -4936 11.84764953 -0.00003294 -0.00001799 -4937 11.85003001 -0.00003290 -0.00001796 -4938 11.85241048 -0.00003285 -0.00001794 -4939 11.85479096 -0.00003281 -0.00001791 -4940 11.85717143 -0.00003277 -0.00001788 -4941 11.85955191 -0.00003273 -0.00001786 -4942 11.86193239 -0.00003268 -0.00001783 -4943 11.86431286 -0.00003264 -0.00001780 -4944 11.86669334 -0.00003260 -0.00001778 -4945 11.86907381 -0.00003256 -0.00001775 -4946 11.87145429 -0.00003252 -0.00001772 -4947 11.87383477 -0.00003247 -0.00001770 -4948 11.87621524 -0.00003243 -0.00001767 -4949 11.87859572 -0.00003239 -0.00001764 -4950 11.88097620 -0.00003235 -0.00001762 -4951 11.88335667 -0.00003231 -0.00001759 -4952 11.88573715 -0.00003226 -0.00001757 -4953 11.88811762 -0.00003222 -0.00001754 -4954 11.89049810 -0.00003218 -0.00001751 -4955 11.89287858 -0.00003214 -0.00001749 -4956 11.89525905 -0.00003210 -0.00001746 -4957 11.89763953 -0.00003206 -0.00001743 -4958 11.90002000 -0.00003201 -0.00001741 -4959 11.90240048 -0.00003197 -0.00001738 -4960 11.90478096 -0.00003193 -0.00001736 -4961 11.90716143 -0.00003189 -0.00001733 -4962 11.90954191 -0.00003185 -0.00001730 -4963 11.91192238 -0.00003181 -0.00001728 -4964 11.91430286 -0.00003177 -0.00001725 -4965 11.91668334 -0.00003173 -0.00001723 -4966 11.91906381 -0.00003168 -0.00001720 -4967 11.92144429 -0.00003164 -0.00001718 -4968 11.92382476 -0.00003160 -0.00001715 -4969 11.92620524 -0.00003156 -0.00001712 -4970 11.92858572 -0.00003152 -0.00001710 -4971 11.93096619 -0.00003148 -0.00001707 -4972 11.93334667 -0.00003144 -0.00001705 -4973 11.93572715 -0.00003140 -0.00001702 -4974 11.93810762 -0.00003136 -0.00001700 -4975 11.94048810 -0.00003132 -0.00001697 -4976 11.94286857 -0.00003128 -0.00001695 -4977 11.94524905 -0.00003124 -0.00001692 -4978 11.94762953 -0.00003120 -0.00001690 -4979 11.95001000 -0.00003116 -0.00001687 -4980 11.95239048 -0.00003112 -0.00001685 -4981 11.95477095 -0.00003108 -0.00001682 -4982 11.95715143 -0.00003104 -0.00001680 -4983 11.95953191 -0.00003100 -0.00001677 -4984 11.96191238 -0.00003096 -0.00001675 -4985 11.96429286 -0.00003092 -0.00001672 -4986 11.96667333 -0.00003088 -0.00001670 -4987 11.96905381 -0.00003084 -0.00001667 -4988 11.97143429 -0.00003080 -0.00001665 -4989 11.97381476 -0.00003076 -0.00001662 -4990 11.97619524 -0.00003072 -0.00001660 -4991 11.97857572 -0.00003068 -0.00001657 -4992 11.98095619 -0.00003064 -0.00001655 -4993 11.98333667 -0.00003060 -0.00001652 -4994 11.98571714 -0.00003056 -0.00001650 -4995 11.98809762 -0.00003052 -0.00001648 -4996 11.99047810 -0.00003048 -0.00001645 -4997 11.99285857 -0.00003044 -0.00001643 -4998 11.99523905 -0.00003040 -0.00001640 -4999 11.99761952 -0.00003037 -0.00001638 -5000 12.00000000 -0.00003033 -0.00001635 diff --git a/examples/saftvrqmie/hydrogen_deuterium_binary.ipynb b/examples/saftvrqmie/hydrogen_deuterium_binary.ipynb deleted file mode 100644 index 98677664d..000000000 --- a/examples/saftvrqmie/hydrogen_deuterium_binary.ipynb +++ /dev/null @@ -1,365 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "d29be20b-79b2-48a0-a333-c1af140b3287", - "metadata": {}, - "source": [ - "# Surface tension calculations using DFT for Deuterium-Hydrogen mixtures\n", - "Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon and their mixtures ([doi:10.1063/5.0137226](https://doi.org/10.1063/5.0137226))" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "b1e9c899-f524-4913-bed5-cf01cfb7ad35", - "metadata": {}, - "outputs": [], - "source": [ - "from feos import *\n", - "from feos.dft import *\n", - "from feos.saftvrqmie import *\n", - "import matplotlib.pyplot as plt\n", - "import numpy as np\n", - "import pandas as pd\n", - "from scipy.optimize import least_squares\n", - "import si_units as si\n", - "import seaborn as sns\n", - "import tqdm\n", - "import json\n", - "\n", - "sns.set_context('talk')\n", - "sns.set_palette('Dark2')\n", - "sns.set_style('ticks')" - ] - }, - { - "cell_type": "markdown", - "id": "b62a863b-5b13-4b05-aeb7-d62de853b95f", - "metadata": {}, - "source": [ - "# Set up functional" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "3324bf33-e087-4e87-91e9-9db68a0f13b3", - "metadata": {}, - "outputs": [], - "source": [ - "parameters = SaftVRQMieParameters.from_json([\"deuterium\", \"hydrogen\"], \n", - " \"../../parameters/saftvrqmie/hammer2023.json\", \n", - " binary_path=\"../../parameters/saftvrqmie/aasen2020_binary.json\")\n", - "eos = HelmholtzEnergyFunctional.saftvrqmie(parameters)" - ] - }, - { - "cell_type": "markdown", - "id": "1cab6ca7-d418-4012-9625-51aa687a9231", - "metadata": {}, - "source": [ - "## Critcal temperature estimate" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "9dd67350-beaa-44d9-bf0f-aaa08ccc88e3", - "metadata": {}, - "outputs": [], - "source": [ - "cp = State.critical_point(eos, np.array([0.5, 0.5]) * si.MOL, initial_temperature=35*si.KELVIN)" - ] - }, - { - "cell_type": "markdown", - "id": "6dfe40bf-902a-441f-aa53-e398826ab2e5", - "metadata": {}, - "source": [ - "# Load experimental data\n", - "Grigorev and Rudenko.\n", - "*Surface tension of liquid hydrogen isotopes and hydrogen-deuterium solutions.*\n", - "Sov. phys. JETP 1965" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "3896cf04-ccf6-470a-9a0c-299f7267b02c", - "metadata": {}, - "outputs": [], - "source": [ - "data = np.loadtxt(\"./data/hydrogen_deuterium_exp_data.dat\", skiprows=1)" - ] - }, - { - "cell_type": "markdown", - "id": "1f2916a9-0b8f-4eb9-a217-5df15d96ce40", - "metadata": {}, - "source": [ - "# Map isotherms for T=18.88 K and T=20.44 K" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "89f40dee-3f95-416e-a09c-9b39a6f2b48e", - "metadata": {}, - "outputs": [], - "source": [ - "dia_18 = PhaseDiagram.binary_vle(eos, 18.88 * si.KELVIN, npoints=21)\n", - "vle0 = [PhaseEquilibrium.bubble_point(eos, 18.88 * si.KELVIN, np.array([1e-10, 1-1e-10]))]\n", - "vle1 = [PhaseEquilibrium.bubble_point(eos, 18.88 * si.KELVIN, np.array([1- 1e-10, 1e-10]))]\n", - "sft_dia_18 = SurfaceTensionDiagram(vle0 + dia_18.states + vle1, n_grid=1024)" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "f8a36b06-d731-46a1-adac-4873ddb04204", - "metadata": {}, - "outputs": [], - "source": [ - "dia_20 = PhaseDiagram.binary_vle(eos, 20.44 * si.KELVIN, npoints=21)\n", - "vle0 = [PhaseEquilibrium.bubble_point(eos, 20.44 * si.KELVIN, np.array([1e-10, 1-1e-10]))]\n", - "vle1 = [PhaseEquilibrium.bubble_point(eos, 20.44 * si.KELVIN, np.array([1- 1e-10, 1e-10]))]\n", - "sft_dia_20 = SurfaceTensionDiagram(vle0 + dia_20.states + vle1, n_grid=1024)" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "17631d24-f3a7-4b78-a071-197752546e60", - "metadata": {}, - "outputs": [], - "source": [ - "def surftens_mulero2012(fluid, tr):\n", - " \"\"\"\n", - " Calculate pure fluid surface tension using Mulero et al. 2012 correlation (doi:10.1063/1.4768782)\n", - " Args:\n", - " fluid (str): Component name\n", - " tr (np.ndarray): Reduced temperature\n", - " Returns:\n", - " sigma (np.ndarray): Surface tension (mN/m)\n", - " \"\"\"\n", - " ff = open(\"mulero_2012_parameters.json\", \"r\")\n", - " complist = json.load(ff)\n", - " ff.close()\n", - " sigma = np.zeros_like(tr)\n", - " for i in range(len(complist[fluid][\"sigma\"])):\n", - " sigma[:] += complist[fluid][\"sigma\"][i] * \\\n", - " (1-tr[:])**complist[fluid][\"n\"][i]\n", - " return sigma * si.NEWTON / si.METER / (si.MILLI * si.NEWTON/ si.METER)\n", - "s_h2_20 = surftens_mulero2012(\"hydrogen\", np.array([20.44/33.145]))\n", - "s_d2_20 = surftens_mulero2012(\"deuterium\", np.array([20.44/38.34]))\n", - "s_h2_18 = surftens_mulero2012(\"hydrogen\", np.array([18.88/33.145]))\n", - "s_d2_18 = surftens_mulero2012(\"deuterium\", np.array([18.88/38.34]))" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "fd157113-4a5f-4003-bd8a-9c6d0134d0e0", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(9, 6))\n", - "colors = [\"k\",\"g\",\"r\",\"b\",\"grey\",\"orange\",\"cyan\"]\n", - "data_filter = np.isclose(data[:, 1], 20.44, atol=0.2)\n", - "plt.plot(sft_dia_20.liquid.molefracs[:,0]*100, sft_dia_20.surface_tension / (si.MILLI* si.NEWTON / si.METER), label='$T$=20.44 K', color=\"b\")\n", - "plt.plot(data[data_filter, 0], data[data_filter, 2], linestyle=\"None\", marker=\"o\", color=\"b\")\n", - "plt.plot(np.array([0.0]), s_h2_20, linestyle=\"None\", marker=\"*\", color=\"b\")\n", - "plt.plot(np.array([100.0]), s_d2_20, linestyle=\"None\", marker=\"*\", color=\"b\")\n", - "\n", - "data_filter = np.isclose(data[:, 1], 18.88, atol=0.2)\n", - "plt.plot(sft_dia_18.liquid.molefracs[:,0]*100, sft_dia_18.surface_tension / (si.MILLI* si.NEWTON / si.METER), label='$T$=18.88 K', color=\"k\")\n", - "plt.plot(data[data_filter, 0], data[data_filter, 2], linestyle=\"None\", marker=\"o\", color=\"k\")\n", - "plt.plot(np.array([0.0]), s_h2_18, linestyle=\"None\", marker=\"*\", color=\"k\")\n", - "plt.plot(np.array([100.0]), s_d2_18, linestyle=\"None\", marker=\"*\", color=\"k\")\n", - "\n", - "plt.xlabel(r'$x_{\\rm{D}_2}$ (%)')\n", - "plt.ylabel(r'$\\gamma$ (mN/m)')\n", - "leg = plt.legend(loc='best', frameon=False)" - ] - }, - { - "cell_type": "markdown", - "id": "50ae5159-6b75-44f1-830c-2d3061b52ef8", - "metadata": {}, - "source": [ - "# DFT for all experimental data" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "id": "4262b481-6a26-498a-8d36-476440fdab69", - "metadata": {}, - "outputs": [], - "source": [ - "states = []\n", - "for i in range(np.shape(data)[0]):\n", - " T = data[i,1]\n", - " c_D2 = data[i,0]\n", - " surftens_exp = data[i,2]\n", - " x = np.array([c_D2, 100.0-c_D2])/100.0\n", - " vle = PhaseEquilibrium.bubble_point(eos, T * si.KELVIN, x)\n", - " cp = State.critical_point(eos, x * si.MOL, initial_temperature=35.0*si.KELVIN) #, verbosity=Verbosity.Iter)\n", - " states.append([vle, cp, surftens_exp, T])" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "id": "c22daf4d-994e-4da5-a37c-be7424f6731f", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 68/68 [01:03<00:00, 1.08it/s]\n" - ] - } - ], - "source": [ - "sft = []\n", - "for vle, cp, s_exp, T in tqdm.tqdm(states):\n", - " try:\n", - " sft.append({ \n", - " \"dft\": PlanarInterface.from_tanh(vle, 1024, 200 * si.ANGSTROM, cp.temperature).solve().surface_tension / (si.MILLI * si.NEWTON / si.METER),\n", - " \"exp\": s_exp,\n", - " \"temp\": T\n", - " })\n", - " except Exception as e:\n", - " print(e)\n", - " print(vle)" - ] - }, - { - "cell_type": "markdown", - "id": "3bbd7e8a-691c-478c-b7ef-b296a6c6f879", - "metadata": {}, - "source": [ - "# Plot error map" - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "id": "b189bb10-50bf-401b-bd39-c96dcf796efd", - "metadata": {}, - "outputs": [], - "source": [ - "df = pd.DataFrame(sft)" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "id": "8bf21035-95f0-4265-a700-9221c5015d8b", - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "" - ] - }, - "execution_count": 12, - "metadata": {}, - "output_type": "execute_result" - }, - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(9, 6))\n", - "smax = 4\n", - "err_fan = 0.1\n", - "df = pd.DataFrame(sft)\n", - "plt.scatter(df.exp, df.dft, c=df.temp, cmap='Blues', marker=\"o\")\n", - "plt.plot([0, smax], [0, smax], color=\"black\", linestyle=\"dashed\", alpha=1.0, lw=1.5)\n", - "plt.plot([0, smax*(1+err_fan/2)], [0, smax*(1-err_fan/2)], color=\"black\", linestyle=\"dotted\", alpha=0.5, lw=1.5)\n", - "plt.plot([0, smax*(1-err_fan/2)], [0, smax*(1+err_fan/2)], color=\"black\", linestyle=\"dotted\", alpha=0.5, lw=1.5)\n", - "plt.ylabel(r'$\\gamma$ (mN/m)')\n", - "plt.xlabel(r'$\\gamma_{\\rm{Exp.}}$ (mN/m)')\n", - "plt.xlim(1.5, smax)\n", - "plt.ylim(1.5, smax)\n", - "plt.colorbar()" - ] - }, - { - "cell_type": "markdown", - "id": "252f6652-d546-4009-9f48-daf64f20b77f", - "metadata": {}, - "source": [ - "# Calculate mean absolute deviation (MAD)" - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "id": "9fc67b32-541d-4ca3-bfd2-04ba7de892c6", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "MAD=5.4 %\n" - ] - } - ], - "source": [ - "mad = 100*np.sum(np.abs((df.dft-df.exp)/df.exp))/df.exp.shape[0]\n", - "print(f\"MAD={mad:.1f} %\")" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/saftvrqmie/hydrogen_fh1_vs_fh2.ipynb b/examples/saftvrqmie/hydrogen_fh1_vs_fh2.ipynb deleted file mode 100644 index 723b2d72b..000000000 --- a/examples/saftvrqmie/hydrogen_fh1_vs_fh2.ipynb +++ /dev/null @@ -1,186 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "06b263a1-b920-4b97-9bdf-238a87893e92", - "metadata": {}, - "source": [ - "# Surface tension calculations using DFT for Hydrogen\n", - "Comparing Feynman-Hibbs corrections to first and second order" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "7f9082f3-e3e2-421b-b09a-a39160a83183", - "metadata": {}, - "outputs": [], - "source": [ - "from feos import *\n", - "from feos.dft import *\n", - "from feos.saftvrqmie import *\n", - "import matplotlib.pyplot as plt\n", - "import si_units as si\n", - "import numpy as np\n", - "import seaborn as sns\n", - "import json\n", - "\n", - "sns.set_context('talk')\n", - "sns.set_palette('Dark2')\n", - "sns.set_style('ticks')" - ] - }, - { - "cell_type": "markdown", - "id": "0c514e92-9e5b-45a5-98b1-81f83eb4c104", - "metadata": {}, - "source": [ - "# Pure fluid surface tension correlations" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "b334936e-587b-44d0-a92e-6dacd5f08e73", - "metadata": {}, - "outputs": [], - "source": [ - "def surftens_mulero2012(fluid, tr):\n", - " \"\"\"\n", - " Calculate pure fluid surface tension using Mulero 2012 correlation (doi:10.1063/1.4768782)\n", - " Args:\n", - " fluid (str): Component name\n", - " tr (np.ndarray): Reduced temperature\n", - " Returns:\n", - " sigma (np.ndarray): Surface tension (mN/m)\n", - " \"\"\"\n", - " ff = open(\"mulero_2012_parameters.json\", \"r\")\n", - " complist = json.load(ff)\n", - " ff.close()\n", - " sigma = np.zeros_like(tr)\n", - " for i in range(len(complist[fluid][\"sigma\"])):\n", - " sigma[:] += complist[fluid][\"sigma\"][i] * \\\n", - " (1-tr[:])**complist[fluid][\"n\"][i]\n", - " return sigma * si.NEWTON / si.METER / (si.MILLI * si.NEWTON/ si.METER)" - ] - }, - { - "cell_type": "markdown", - "id": "f445dc40-3c4f-417d-a430-ed4b11d9216f", - "metadata": {}, - "source": [ - "# Hydrogen parameters and functional" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "4c8f318f-56e0-4a48-b21b-1ecab6bc10a3", - "metadata": {}, - "outputs": [], - "source": [ - "# Critical and normal boiling point temperature\n", - "Tc = 33.145\n", - "Tnb = 20.369\n", - "# First order Feynman-Hibbs corrections\n", - "parameters_fh1 = SaftVRQMieParameters.from_json([\"hydrogen\"], \"../../parameters/saftvrqmie/aasen2019.json\")\n", - "func_fh1 = HelmholtzEnergyFunctional.saftvrqmie(parameters_fh1)\n", - "state_fh1 = State(func_fh1, temperature=Tnb * si.KELVIN, pressure=20.0 * si.BAR)\n", - "model_fh1_tc = State.critical_point(func_fh1).temperature\n", - "# Second order Feynman-Hibbs corrections\n", - "parameters_fh2 = SaftVRQMieParameters.from_json([\"hydrogen\"], \"../../parameters/saftvrqmie/aasen2019_fh2.json\")\n", - "func_fh2 = HelmholtzEnergyFunctional.saftvrqmie(parameters_fh2)\n", - "state_fh2 = State(func_fh2, temperature=Tnb * si.KELVIN, pressure=20.0 * si.BAR)\n", - "model_fh2_tc = State.critical_point(func_fh2).temperature" - ] - }, - { - "cell_type": "markdown", - "id": "2ee15889-18da-4802-842f-5e042d673ecb", - "metadata": {}, - "source": [ - "# Calculate and plot surface tension" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "c284f4b3-af36-4d50-8391-a7e44148b050", - "metadata": {}, - "outputs": [], - "source": [ - "# First order Feynman-Hibbs corrections\n", - "dia_fh1 = PhaseDiagram.pure(func_fh1, Tnb * si.KELVIN, npoints=50)\n", - "sft_dia_fh1 = SurfaceTensionDiagram(dia_fh1.states, n_grid=1024, l_grid=200 * si.ANGSTROM , critical_temperature=model_fh1_tc)\n", - "surf_tens_fh1 = sft_dia_fh1.surface_tension / (si.MILLI* si.NEWTON / si.METER)\n", - "# Second order Feynman-Hibbs corrections\n", - "dia_fh2 = PhaseDiagram.pure(func_fh2, Tnb * si.KELVIN, npoints=50)\n", - "sft_dia_fh2 = SurfaceTensionDiagram(dia_fh2.states, n_grid=1024, l_grid=200 * si.ANGSTROM , critical_temperature=model_fh2_tc)\n", - "surf_tens_fh2 = sft_dia_fh2.surface_tension / (si.MILLI* si.NEWTON / si.METER)" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "4e69ad65-f86a-432a-8c1b-b6a2378ff9ec", - "metadata": {}, - "outputs": [], - "source": [ - "tr = np.linspace(Tnb/Tc, 1.0, 100)\n", - "s_corr = surftens_mulero2012(\"hydrogen\", tr)" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "0247cea8-f6cd-436f-9e98-7dc14130e5ec", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(1, 1)\n", - "ax.plot(tr * Tc, s_corr, color='tab:red', label=\"Mulero et al. (2012)\", ls=\"--\")\n", - "ax.plot(dia_fh1.liquid.temperature/si.KELVIN, surf_tens_fh1, color='tab:blue', label='FH1-DFT')\n", - "ax.plot(dia_fh2.liquid.temperature/si.KELVIN, surf_tens_fh2, color='tab:green', label='FH2-DFT')\n", - "ax.set_xlim([19.5, 34.0])\n", - "ax.set_ylim([-0.1, 2.2])\n", - "ax.set_xlabel(r'$T$ (K)')\n", - "ax.set_ylabel(r'$\\gamma$ (mN/m)')\n", - "legend = ax.legend(loc='best', frameon=False, fontsize=12, ncol=1)" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/saftvrqmie/hydrogen_helium_binary.ipynb b/examples/saftvrqmie/hydrogen_helium_binary.ipynb deleted file mode 100644 index ba887a53a..000000000 --- a/examples/saftvrqmie/hydrogen_helium_binary.ipynb +++ /dev/null @@ -1,493 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "0b894b1b-ea24-4039-9aea-b034f01c8da2", - "metadata": {}, - "source": [ - "# Surface tension calculations using DFT for Helium-Para-Hydrogen mixtures\n", - "Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon and their mixtures ([doi:10.1063/5.0137226](https://doi.org/10.1063/5.0137226))" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "b1e9c899-f524-4913-bed5-cf01cfb7ad35", - "metadata": {}, - "outputs": [], - "source": [ - "from feos import *\n", - "from feos.dft import *\n", - "from feos.saftvrqmie import *\n", - "import matplotlib.pyplot as plt\n", - "import numpy as np\n", - "import si_units as si\n", - "import pandas as pd\n", - "from scipy.optimize import fsolve\n", - "import seaborn as sns\n", - "import tqdm\n", - "import json\n", - "\n", - "sns.set_context('talk')\n", - "sns.set_palette('Dark2')\n", - "sns.set_style('ticks')" - ] - }, - { - "cell_type": "markdown", - "id": "da9d36a9-3fee-4297-acf4-793c1f36d713", - "metadata": {}, - "source": [ - "# Set up FEOS functional" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "3324bf33-e087-4e87-91e9-9db68a0f13b3", - "metadata": {}, - "outputs": [], - "source": [ - "parameters = SaftVRQMieParameters.from_json([\"helium\", \"para-hydrogen\"], \n", - " \"../../parameters/saftvrqmie/hammer2023.json\",\n", - " binary_path=\"../../parameters/saftvrqmie/aasen2020_binary.json\")\n", - "eos = HelmholtzEnergyFunctional.saftvrqmie(parameters)" - ] - }, - { - "cell_type": "markdown", - "id": "c92b4400-5ba6-4cec-804c-a8b3c78cee2f", - "metadata": {}, - "source": [ - "## Critcal temperature estimate" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "9dd67350-beaa-44d9-bf0f-aaa08ccc88e3", - "metadata": {}, - "outputs": [], - "source": [ - "cp = State.critical_point(eos, np.array([0.5, 0.5]) * si.MOL, initial_temperature=35*si.KELVIN)" - ] - }, - { - "cell_type": "markdown", - "id": "e2e9392c-96a6-40ff-a78c-e5c0efa724a2", - "metadata": {}, - "source": [ - "# Utility functions" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "f68a0bd7-5caa-418b-8dd7-6e62a84259f7", - "metadata": {}, - "outputs": [], - "source": [ - "def density_error(x_he, T, eos, rho_he_spec):\n", - " \"\"\"Evaluate relative error in partial density for helium\"\"\"\n", - " x = np.array([x_he[0]/1000, 1-x_he[0]/1000])\n", - " vle_guess = PhaseEquilibrium.bubble_point(eos, T * si.KELVIN, x)\n", - " rho_he = vle_guess.vapor.partial_density[0] / si.MOL * si.METER**3\n", - " error = (rho_he_spec - rho_he)/rho_he_spec\n", - " return error\n", - "\n", - "def surftens_mulero2012(param, tr):\n", - " \"\"\"\n", - " Calculate pure fluid surface tension A(1-tr)**(B+C*tr+D*tr**2)\n", - " Args:\n", - " param (np.ndarray): \n", - " tr (np.ndarray): Reduced temperature\n", - " Returns:\n", - " sigma (np.ndarray): Surface tension (mN/m)\n", - " \"\"\"\n", - " A = param[0]\n", - " exponent = np.zeros_like(tr)\n", - " exponent[:] = param[1]\n", - " for i in range(2,len(param)):\n", - " exponent += param[i]*tr**(i-1)\n", - " sigma = A*(1-tr)**exponent\n", - " return sigma * si.NEWTON / si.METER / (si.MILLI * si.NEWTON/ si.METER)" - ] - }, - { - "cell_type": "markdown", - "id": "8fcb7e84-6750-4a3c-860f-eb29e0fbf5e9", - "metadata": {}, - "source": [ - "# Load experimental data and set some constants\n", - "Paine and Seidel.\n", - "*Surface energy of liquid hydrogen with adsorbed helium.*\n", - "Phys. Rev. B, 1992." - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "d2def2b2-5ed8-4c6f-aee0-7a8d1b9be033", - "metadata": {}, - "outputs": [], - "source": [ - "data = np.loadtxt(\"./data/hydrogen_helium_exp_data.dat\", skiprows=1)\n", - "mw_he = 4.002602 # g/mol\n", - "Temperatures = np.unique(data[:, 0])\n", - "tc_hydrogen = 32.938" - ] - }, - { - "cell_type": "markdown", - "id": "20a21ba7-3bcc-4e1c-b3c0-a4873c8cdb57", - "metadata": {}, - "source": [ - "# Polynomial $x_{\\rm{He}}(\\rho_{\\rm{He}}) \\times 1000$ along Pxy curve" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "4a6c7463-168a-44d8-868a-f1ba30769203", - "metadata": {}, - "outputs": [], - "source": [ - "polynomialfit = {}\n", - "polynomialfit[\"15\"] = np.poly1d([3.70595985e-13,-2.52616512e-08,1.15152761e-03, 1.49408651e-02])\n", - "polynomialfit[\"17\"] = np.poly1d([4.70776561e-13, -3.14841235e-08, 1.71167557e-03, 1.40996915e-02])\n", - "polynomialfit[\"19\"] = np.poly1d([5.62549441e-13, -3.60963365e-08, 2.41768533e-03, 1.25644080e-02])\n", - "polynomialfit[\"21\"] = np.poly1d([6.20734538e-13, -3.70971572e-08, 3.30504009e-03, 1.23204963e-02])" - ] - }, - { - "cell_type": "markdown", - "id": "e646e23f-e040-4efd-8e18-f59da758485a", - "metadata": {}, - "source": [ - "# Find helium vapor composition, $x_{\\rm{max}}$, given $\\rho_{\\rm{He}} (x_{\\rm{max}})$ = $\\rho_{\\rm{max}}$" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "42b237ea-1fa6-40b7-bdab-93acfc714841", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 4/4 [00:02<00:00, 1.34it/s]\n" - ] - } - ], - "source": [ - "rho_max = 10000.0\n", - "x_max = []\n", - "x_he_fun_of_rho = {}\n", - "for T in tqdm.tqdm(Temperatures):\n", - " x0 = polynomialfit[str(int(T))](rho_max)\n", - " # Solve for rho_he(x) = rho_max\n", - " x = fsolve(density_error, x0, args=(T, eos, rho_max))\n", - " x_max.append(x[0]/1000)" - ] - }, - { - "cell_type": "markdown", - "id": "ccf17cf7-0231-48b7-9547-6aceb65d8ba8", - "metadata": {}, - "source": [ - "# Map isotherms to $x_{\\rm{he}}=x_{\\rm{max}}$" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "3896cf04-ccf6-470a-9a0c-299f7267b02c", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - " 0%| | 0/4 [00:00" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(9, 6))\n", - "colors = [\"k\",\"g\",\"r\",\"b\",\"grey\",\"orange\",\"cyan\"]\n", - "for i, T in enumerate(Temperatures):\n", - " rho = []\n", - " for state in states[i]:\n", - " rho.append(state.vapor.partial_density[0] / si.MOL * si.METER**3)\n", - " plt.plot(np.array(rho)/1000, gamma[i], label=f\"{T:.2f} K\", color=colors[i])\n", - " rho_exp = data[np.isclose(data[:, 0], T, atol=0.001),1] / mw_he * 1e6\n", - " sur_tens_exp = data[np.isclose(data[:, 0], T, atol=0.001),2]\n", - " plt.plot(rho_exp/1000, sur_tens_exp, linestyle=\"None\", marker=\"o\", color=colors[i])\n", - " tr = np.array([T/tc_hydrogen])\n", - " s_corr = surftens_mulero2012([0.00471037, 0.62668507, 0.51110266], tr)\n", - " plt.plot([0.0], s_corr, \"*\", color=colors[i]) \n", - " \n", - "plt.xlabel(r'$\\rho_{\\rm{He}}$ (kmol/m$^3$)')\n", - "plt.ylabel(r'$\\gamma$ (mN/m)')\n", - "leg = plt.legend(loc='best', ncol=2, frameon=False)" - ] - }, - { - "cell_type": "markdown", - "id": "8460f1d9-2cc1-4de4-9340-f77fc2ae55c8", - "metadata": {}, - "source": [ - "# Calculate composition given partial helium density of each experimental point" - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "id": "230ef919-038a-4b94-9bdb-1e3f8376ec83", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 4/4 [00:22<00:00, 5.58s/it]\n" - ] - } - ], - "source": [ - "exp_states = []\n", - "for T in tqdm.tqdm(Temperatures):\n", - " # Loop all experiments on current temperature\n", - " data_T = data[np.isclose(data[:,0],T),1:3]\n", - " for j in range(np.shape(data_T)[0]):\n", - " rho_he_j = data_T[j,0] / mw_he * 1e6\n", - " surftens_exp = data_T[j,1]\n", - " # Interpolate to get initial guess, x0: rho_he(x0) ~= rho_he_j\n", - " x0 = polynomialfit[str(int(T))](rho_he_j)\n", - " # Solve for rho_he(x) = rho_he_j\n", - " x = fsolve(density_error, x0, args=(T, eos, rho_he_j))\n", - " exp_states.append([x[0]/1000, surftens_exp, T])" - ] - }, - { - "cell_type": "markdown", - "id": "b4faefd0-c3ef-4fbf-92da-96fd2d32830e", - "metadata": {}, - "source": [ - "# Calculate state and surface tension for the experimental points" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "id": "d161e32a-ae7d-4627-ad99-071bad4bf29e", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 32/32 [00:02<00:00, 11.77it/s]\n" - ] - } - ], - "source": [ - "states = []\n", - "for x, s_exp, T in tqdm.tqdm(exp_states):\n", - " x_sol = np.array([x, 1-x])\n", - " state = PhaseEquilibrium.bubble_point(eos, T * si.KELVIN, x_sol)\n", - " states.append([state, s_exp, T])" - ] - }, - { - "cell_type": "code", - "execution_count": 13, - "id": "0dd3e0d3-c50c-4509-ae94-ae20e06ff5ef", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 32/32 [00:28<00:00, 1.11it/s]\n" - ] - } - ], - "source": [ - "sft = []\n", - "for state, s_exp, T in tqdm.tqdm(states):\n", - " sft.append({\n", - " \"dft\": PlanarInterface.from_tanh(state, 1024, 200 * si.ANGSTROM, cp.temperature).solve().surface_tension / (si.MILLI * si.NEWTON / si.METER), \n", - " \"exp\": s_exp,\n", - " \"T\": T}\n", - " )" - ] - }, - { - "cell_type": "markdown", - "id": "ff8020ed-c320-4687-b7e5-4c63ba98c5c8", - "metadata": {}, - "source": [ - "# Calculate mean absolute deviation (MAD)" - ] - }, - { - "cell_type": "code", - "execution_count": 14, - "id": "a531f7ac-ba7b-4c40-a851-cdad9dbe972f", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "MAD=8.1 %\n" - ] - } - ], - "source": [ - "df = pd.DataFrame(sft)\n", - "mad = 100*np.sum(np.abs((df.dft-df.exp)/df.exp))/df.exp.shape[0]\n", - "print(f\"MAD={mad:.1f} %\")" - ] - }, - { - "cell_type": "markdown", - "id": "41985130-7141-4ba0-8e10-b8abcc44561c", - "metadata": {}, - "source": [ - "# Plot error map" - ] - }, - { - "cell_type": "code", - "execution_count": 15, - "id": "4f6ae846-8eff-41e8-9b14-d025a0f2c7d5", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(9, 6))\n", - "smax = 3\n", - "err_fan = 0.1\n", - "groups = df.groupby('T')\n", - "for i, res in enumerate(groups):\n", - " name=res[0]\n", - " group=res[1]\n", - " plt.plot(group.exp, group.dft, \"o\", color=colors[i], label=str(name))\n", - "plt.plot([0, smax], [0, smax], color=\"black\", linestyle=\"dashed\", alpha=1.0, lw=1.5)\n", - "plt.plot([0, smax*(1+err_fan/2)], [0, smax*(1-err_fan/2)], color=\"black\", linestyle=\"dotted\", alpha=0.5, lw=1.5)\n", - "plt.plot([0, smax*(1-err_fan/2)], [0, smax*(1+err_fan/2)], color=\"black\", linestyle=\"dotted\", alpha=0.5, lw=1.5)\n", - "plt.ylabel(r'$\\gamma$ (mN/m)')\n", - "plt.xlabel(r'$\\gamma_{\\rm{Exp.}}$ (mN/m)')\n", - "plt.xlim(1, smax)\n", - "plt.ylim(1, smax)\n", - "leg = plt.legend(loc='best', ncol=2, frameon=False)" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/saftvrqmie/hydrogen_neon_binary.ipynb b/examples/saftvrqmie/hydrogen_neon_binary.ipynb deleted file mode 100644 index ba8413b50..000000000 --- a/examples/saftvrqmie/hydrogen_neon_binary.ipynb +++ /dev/null @@ -1,395 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "01dcbd2f-39fb-4d59-a7e7-5b113098ab53", - "metadata": {}, - "source": [ - "# Surface tension calculations using DFT for Hydrogen-Neon mixtures\n", - "Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon and their mixtures ([doi:10.1063/5.0137226](https://doi.org/10.1063/5.0137226))" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "b1e9c899-f524-4913-bed5-cf01cfb7ad35", - "metadata": {}, - "outputs": [], - "source": [ - "from feos import *\n", - "from feos.dft import *\n", - "from feos.saftvrqmie import *\n", - "import matplotlib.pyplot as plt\n", - "import si_units as si\n", - "import numpy as np\n", - "import pandas as pd\n", - "import seaborn as sns\n", - "import tqdm\n", - "import json\n", - "from math import ceil\n", - "\n", - "sns.set_context('talk')\n", - "sns.set_palette('Dark2')\n", - "sns.set_style('ticks')" - ] - }, - { - "cell_type": "markdown", - "id": "550efe70-e836-40e2-ba4a-d773efca8197", - "metadata": {}, - "source": [ - "# Set up functional" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "3324bf33-e087-4e87-91e9-9db68a0f13b3", - "metadata": {}, - "outputs": [], - "source": [ - "parameters = SaftVRQMieParameters.from_json([\"hydrogen\", \"neon\"], \n", - " \"../../parameters/saftvrqmie/hammer2023.json\", \n", - " binary_path=\"../../parameters/saftvrqmie/aasen2020_binary.json\")\n", - "eos = HelmholtzEnergyFunctional.saftvrqmie(parameters)" - ] - }, - { - "cell_type": "markdown", - "id": "c30c7ad9-7894-4023-ac96-1c24e9b410ed", - "metadata": {}, - "source": [ - "# Utility functions" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "23fe77cd-83fb-4fc4-8538-a84a225fa14f", - "metadata": {}, - "outputs": [], - "source": [ - "def surftens_mulero2012(fluid, tr):\n", - " \"\"\"\n", - " Calculate pure fluid surface tension using Mulero et al. 2012 correlation (doi:10.1063/1.4768782)\n", - " Args:\n", - " fluid (str): Component name\n", - " tr (np.ndarray): Reduced temperature\n", - " Returns:\n", - " sigma (np.ndarray): Surface tension (mN/m)\n", - " \"\"\"\n", - " ff = open(\"mulero_2012_parameters.json\", \"r\")\n", - " complist = json.load(ff)\n", - " ff.close()\n", - " sigma = np.zeros_like(tr)\n", - " for i in range(len(complist[fluid][\"sigma\"])):\n", - " sigma[:] += complist[fluid][\"sigma\"][i] * \\\n", - " (1-tr[:])**complist[fluid][\"n\"][i]\n", - " return sigma * si.NEWTON / si.METER / (si.MILLI * si.NEWTON/ si.METER)" - ] - }, - { - "cell_type": "markdown", - "id": "6ab3048d-73da-4480-8463-a24700664a50", - "metadata": {}, - "source": [ - "# Set experimental data and constants" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "42b237ea-1fa6-40b7-bdab-93acfc714841", - "metadata": {}, - "outputs": [], - "source": [ - "# Y. P. Blagoi and V. V. Pashkov\n", - "# Surface tension of normal hydrogen solutions in neon\n", - "# Sov. phys. JETP 28, 3 (1969)\n", - "#\n", - "# (Triple point composition is calculated using SAFT-VRQ Mie EoS)\n", - "neon_h2_data = {}\n", - "#\n", - "neon_h2_data[\"24.59\"] = {\"P\": np.array([1.91, 2.03, 2.52, 2.50]) * 1.01325 * si.BAR,\n", - " \"x_H2\": np.array([1.44, 1.57, 2.16, 2.13]) * 0.01,\n", - " \"sigma\": np.array([4.09, 3.70, 3.30, 3.13]) * si.MILLI * si.NEWTON / si.METER,\n", - " \"x_triple\": np.array([0.03107854, 0.96892146])}\n", - "#\n", - "neon_h2_data[\"26.33\"] = {\"P\": np.array([2.06, 2.49, 3.31, 3.99]) * 1.01325 * si.BAR, \n", - " \"x_H2\": np.array([1.22, 1.71, 2.83, 4.11]) * 0.01,\n", - " \"sigma\": np.array([4.15, 3.63, 2.98, 2.45]) * si.MILLI * si.NEWTON / si.METER,\n", - " \"x_triple\": np.array([0.05122161, 0.94877839])}\n", - "#\n", - "neon_h2_data[\"27.15\"] = {\"P\": np.array([2.49, 3.38, 4.09, 4.93]) * 1.01325 * si.BAR, \n", - " \"x_H2\": np.array([1.58, 2.73, 3.84, 5.88]) * 0.01,\n", - " \"sigma\": np.array([3.75, 3.00, 2.60, 1.83]) * si.MILLI * si.NEWTON / si.METER,\n", - " \"x_triple\": np.array([0.06421055, 0.93578945])}\n", - "#\n", - "neon_h2_data[\"29.00\"] = {\"P\": np.array([2.80, 3.36, 3.77, 4.89, 5.90]) * 1.01325 * si.BAR,\n", - " \"x_H2\": np.array([1.20, 1.94, 2.54, 4.48, 7.38]) * 0.01,\n", - " \"sigma\": np.array([3.51, 3.22, 3.00, 2.37, 1.73]) * si.MILLI * si.NEWTON / si.METER,\n", - " \"x_triple\": np.array([0.10680614, 0.89319386])}\n", - "#\n", - "colors = [\"k\",\"g\",\"r\",\"b\",\"grey\",\"orange\",\"cyan\"]\n", - "tc_neon = 44.49" - ] - }, - { - "cell_type": "markdown", - "id": "300a5e8d-0d5c-4398-9fbc-7dfc9f567586", - "metadata": {}, - "source": [ - "# Calculate state and surface tension for the experimental points" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "76a4766a-2eeb-47ca-9862-53a3b41f4df1", - "metadata": { - "tags": [] - }, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 4/4 [00:01<00:00, 3.02it/s]\n" - ] - } - ], - "source": [ - "states_per_T = []\n", - "for key in tqdm.tqdm(neon_h2_data):\n", - " T = float(key)\n", - " states_T = []\n", - " for iP, P in enumerate(neon_h2_data[key][\"P\"]):\n", - " x_h2 = neon_h2_data[key][\"x_H2\"][iP]\n", - " x = np.array([x_h2, 1.0-x_h2])\n", - " vle = PhaseEquilibrium.bubble_point(eos, T * si.KELVIN, x)\n", - " cp = State.critical_point(eos, x * si.MOL, initial_temperature=40.0*si.KELVIN)\n", - " states_T.append([vle, cp, neon_h2_data[key][\"sigma\"][iP], x_h2, T])\n", - " states_per_T.append(states_T)" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "6e7a30d5-025e-4aee-a12f-b15328e253c3", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 4/4 [00:21<00:00, 5.42s/it]\n" - ] - } - ], - "source": [ - "sft_per_T = []\n", - "sft = []\n", - "for state_T in tqdm.tqdm(states_per_T):\n", - " sft_T = []\n", - " for vle, cp, s_exp, x_h2, T in state_T:\n", - " try:\n", - " sft_T.append({ \n", - " \"dft\": PlanarInterface.from_tanh(vle, 1024, 200 * si.ANGSTROM, cp.temperature).solve().surface_tension / (si.MILLI * si.NEWTON / si.METER),\n", - " \"exp\": s_exp / (si.MILLI * si.NEWTON / si.METER),\n", - " \"x_h2\": x_h2,\n", - " \"T\": T\n", - " })\n", - " sft.append(sft_T[-1])\n", - " except Exception as e:\n", - " print(e)\n", - " print(vle)\n", - " sft_per_T.append(sft_T)" - ] - }, - { - "cell_type": "markdown", - "id": "6279a930-8bf1-45f4-8e30-414fe9238433", - "metadata": {}, - "source": [ - "# Calculate mean absolute deviation (MAD)" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "4262b481-6a26-498a-8d36-476440fdab69", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "MAD=7.5 %\n" - ] - } - ], - "source": [ - "df = pd.DataFrame(sft)\n", - "mad = 100*np.sum(np.abs((df.dft-df.exp)/df.exp))/df.exp.shape[0]\n", - "print(f\"MAD={mad:.1f} %\")" - ] - }, - { - "cell_type": "markdown", - "id": "cf16a581-b859-44a8-a5c7-86e1daf0f2bc", - "metadata": {}, - "source": [ - "# Plot surface tension error" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "bde2f180-b703-4d51-8f7c-c42a2dd7fc46", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(9, 6))\n", - "err_fan = 0.1\n", - "groups = df.groupby('T')\n", - "for i, res in enumerate(groups):\n", - " name=res[0]\n", - " group=res[1]\n", - " plt.plot(group.exp, group.dft, \"o\", color=colors[i], label=str(name))\n", - "plt.plot([0, 5], [0, 5], color=\"black\", linestyle=\"dashed\", alpha=1.0, lw=1.5)\n", - "plt.plot([0, 5*(1+err_fan/2)], [0, 5*(1-err_fan/2)], color=\"black\", linestyle=\"dotted\", alpha=0.5, lw=1.5)\n", - "plt.plot([0, 5*(1-err_fan/2)], [0, 5*(1+err_fan/2)], color=\"black\", linestyle=\"dotted\", alpha=0.5, lw=1.5)\n", - "plt.xlim(1, 5)\n", - "plt.ylim(1, 5)\n", - "plt.ylabel(r'$\\gamma$ (mN/m)')\n", - "plt.xlabel(r'$\\gamma_{\\rm{Exp.}}$ (mN/m)')\n", - "leg = plt.legend(loc='best', ncol=2, frameon=False)" - ] - }, - { - "cell_type": "markdown", - "id": "8b9431c9-0d69-4e3c-808d-0eba7dd233a6", - "metadata": {}, - "source": [ - "# Calculate isotherms from pure fluid to triple point" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "id": "4448eda8-936c-40e1-a48e-304af159cd3b", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "100%|██████████| 4/4 [01:16<00:00, 19.06s/it]\n" - ] - } - ], - "source": [ - "dft_sft_per_T = []\n", - "for key in tqdm.tqdm(neon_h2_data):\n", - " T = float(key)\n", - " x_T = neon_h2_data[key][\"x_triple\"] # Triple point\n", - " dft_sft_T = []\n", - " # Add some safety margin for the numerical differences between Thermopack and FEOS\n", - " x_h2 = np.linspace(1.0e-8, x_T[0]-1.0e-3, ceil(x_T[0]/0.005))\n", - " for x in x_h2:\n", - " z = np.array([x, 1.0-x])\n", - " vle = PhaseEquilibrium.bubble_point(eos, T * si.KELVIN, z)\n", - " cp = State.critical_point(eos, z * si.MOL, initial_temperature=40.0*si.KELVIN)\n", - " try:\n", - " dft_sft_T.append({ \n", - " \"dft\": PlanarInterface.from_tanh(vle, 1024, 200 * si.ANGSTROM, cp.temperature).solve().surface_tension / (si.MILLI * si.NEWTON / si.METER),\n", - " \"x_h2\": x\n", - " })\n", - " except Exception as e:\n", - " print(x)\n", - " print(T)\n", - " print(cp)\n", - " print(e)\n", - " print(vle)\n", - " dft_sft_per_T.append(dft_sft_T)" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "id": "b61fa3f1-6bed-4bc2-883c-9becb76264b5", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(9, 6))\n", - "for i, sft in enumerate(sft_per_T):\n", - " df_T = pd.DataFrame(sft)\n", - " plt.plot(df_T.x_h2, df_T.exp, \"o\", color=colors[i])\n", - "\n", - "labels = []\n", - "for key in neon_h2_data:\n", - " labels.append(\"$T$=\"+key+\" K\")\n", - "\n", - "for i, sft in enumerate(dft_sft_per_T):\n", - " df_T = pd.DataFrame(sft)\n", - " plt.plot(df_T.x_h2, df_T.dft, color=colors[i], label=labels[i])\n", - "\n", - "for i, key in enumerate(neon_h2_data):\n", - " tr = np.array([float(key)/tc_neon])\n", - " s_mulero = surftens_mulero2012(\"neon\", tr)\n", - " plt.plot([0.0], s_mulero, \"*\", color=colors[i])\n", - "\n", - "plt.ylabel(r'$\\gamma$ (mN/m)')\n", - "plt.xlabel(r'$x_{\\rm{H_2}}$')\n", - "leg = plt.legend(loc='best', ncol=2, frameon=False)" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/saftvrqmie/in.binary_deuterium_neon b/examples/saftvrqmie/in.binary_deuterium_neon deleted file mode 100644 index 3fcb699b5..000000000 --- a/examples/saftvrqmie/in.binary_deuterium_neon +++ /dev/null @@ -1,80 +0,0 @@ -units real -atom_style atomic - -# substance -variable substance1 string deuterium -variable substance2 string neon -variable molarweight1 equal 4.028209954364 -variable molarweight2 equal 20.17969806457545 - -# thermodynamic state -variable x1 equal 0.2 -variable initial_density equal 813.43 # kg / m3 @ p = 8 bar -variable t equal 32 -variable natoms equal 4000 -variable n1 equal v_x1*v_natoms -variable n2 equal v_natoms-v_n1 - -variable molarweight_mix equal v_x1*v_molarweight1+(1-v_x1)*v_molarweight2 -variable avogadro equal 6.022*10^23 -variable initial_density_mol equal v_initial_density/v_molarweight_mix*v_avogadro*10^(-27) # N / V -variable unit_cell_volume equal 1/v_initial_density_mol -variable box_length equal v_unit_cell_volume^(1/3)*v_natoms^(1/3) - -variable rc equal 12.0 - -# setting up the simulation box -region simulation_box block 0.0 ${box_length} 0.0 ${box_length} 0.0 ${box_length} -create_box 2 simulation_box -create_atoms 1 random ${n1} 1234 NULL -create_atoms 2 random ${n2} 4321 NULL -mass 1 ${molarweight1} -mass 2 ${molarweight2} - -# pair potentials -pair_style table linear 5000 -pair_coeff 1 1 ${substance1}_${t}K.table FH1_${substance1} ${rc} -pair_coeff 2 2 ${substance2}_${t}K.table FH1_${substance2} ${rc} -pair_coeff 1 2 ${substance1}_${substance2}_${t}K.table FH1_${substance1}_${substance2} ${rc} - -neighbor 0.3 bin -neigh_modify delay 0 every 1 - -# energy minimization -print "Running Minimization" -minimize 1.0e-4 1.0e-6 100 1000 - -# generate temperatures -velocity all create $t 12345 - -# Define output -thermo_style custom step temp pe ke vol density - -print "Running Equilibration" -fix 1 all nvt temp $t $t 500 -run 100000 -reset_timestep 0 - -# RDF -compute gr all rdf 500 1 1 1 2 2 1 2 2 -fix 1111 all ave/time 100 1 100 c_gr[*] & - file ${substance1}_${substance2}_${t}K.rdf & - mode vector ave running overwrite & - title1 "# g(r) for ${substance1} ${substance2} at rho=${initial_density}, t=${t}" & - title2 "i r g11 c11 g12 c12 g21 c21 g22 c22" - -thermo 1000 -fix 1 all nvt temp $t $t 500 -dump trj all atom 1000 ${substance1}_${substance2}_${t}K.lammpstrj -dump_modify trj sort id -dump xtctrj all xtc 1000 ${substance1}_${substance2}_${t}K.xtc -dump_modify xtctrj sort id -print "Running Production" - -run 100000 - - - - - - diff --git a/examples/saftvrqmie/mulero_2012_parameters.json b/examples/saftvrqmie/mulero_2012_parameters.json deleted file mode 100644 index f9bd862de..000000000 --- a/examples/saftvrqmie/mulero_2012_parameters.json +++ /dev/null @@ -1,54 +0,0 @@ -{ - "hydrogen": { - "sigma": [ - -1.4165, - 0.746383, - 0.675625 - ], - "n": [ - 0.63882, - 0.659804, - 0.619149 - ] - }, - "neon": { - "sigma": [ - 0.012254, - 0.02728, - -0.025715 - ], - "n": [ - 1.4136, - 1.4517, - 1.6567 - ] - }, - "para-hydrogen": { - "sigma": [ - 0.005314 - ], - "n": [ - 1.06 - ] - }, - "deuterium": { - "sigma": [ - 0.009376 - ], - "n": [ - 1.258 - ] - }, - "helium": { - "sigma": [ - 0.0004656, - 0.001889, - -0.002006 - ], - "n": [ - 1.04, - 2.468, - 2.661 - ] - } -} diff --git a/examples/saftvrqmie/neon_32K.table b/examples/saftvrqmie/neon_32K.table deleted file mode 100644 index 980222269..000000000 --- a/examples/saftvrqmie/neon_32K.table +++ /dev/null @@ -1,5005 +0,0 @@ -# DATE: YYYY-MM-DD UNITS: real CONTRIBUTOR: YOUR NAME -# FH1 potential for neon at T = 32 K -FH1_neon -N 5000 - -1 0.10000000 155306043023154610176.00000000 23264422075199584731136.00000000 -2 0.10238048 109180029639509065728.00000000 15973568977151702597632.00000000 -3 0.10476095 77379466039583440896.00000000 11063016031874713649152.00000000 -4 0.10714143 55268488968446615552.00000000 7725705181634524872704.00000000 -5 0.10952190 39769571227175911424.00000000 5437984753859369631744.00000000 -6 0.11190238 28820886430146621440.00000000 3856785960851494404096.00000000 -7 0.11428286 21028933964986486784.00000000 2755259691400566931456.00000000 -8 0.11666333 15443974802431326208.00000000 1982071382950523961344.00000000 -9 0.11904381 11413493350655846400.00000000 1435403356774032211968.00000000 -10 0.12142428 8485712898785120256.00000000 1046193305779494977536.00000000 -11 0.12380476 6345518771583579136.00000000 767229518330055491584.00000000 -12 0.12618524 4771551175986120704.00000000 565994614011511504896.00000000 -13 0.12856571 3607244997442145792.00000000 419929967207677362176.00000000 -14 0.13094619 2741133565480334336.00000000 313276808056700207104.00000000 -15 0.13332667 2093354411431037952.00000000 234952769427506429952.00000000 -16 0.13570714 1606338648217888000.00000000 177113854642500796416.00000000 -17 0.13808762 1238343101639094784.00000000 134173603220757970944.00000000 -18 0.14046809 958927691294232832.00000000 102129475517269491712.00000000 -19 0.14284857 745772959555484160.00000000 78097146547874070528.00000000 -20 0.14522905 582426926227060992.00000000 59986468326544900096.00000000 -21 0.14760952 456700462577304064.00000000 46274604898924306432.00000000 -22 0.14999000 359517993965481984.00000000 35846246756093755392.00000000 -23 0.15237047 284089779950020896.00000000 27880417660367597568.00000000 -24 0.15475095 225312607596008224.00000000 21769837751074041856.00000000 -25 0.15713143 179333621540996512.00000000 17063167077079318528.00000000 -26 0.15951190 143231293067256496.00000000 13423419633606027264.00000000 -27 0.16189238 114780936116460032.00000000 10597867853035798528.00000000 -28 0.16427285 92281553150455376.00000000 8396155005750199296.00000000 -29 0.16665333 74427386158837408.00000000 6674300658231251968.00000000 -30 0.16903381 60212208663474112.00000000 5322958152224673792.00000000 -31 0.17141428 48857706503973352.00000000 4258754801526816256.00000000 -32 0.17379476 39759660620859088.00000000 3417877497175747072.00000000 -33 0.17617524 32447342751639348.00000000 2751301255510879744.00000000 -34 0.17855571 26552759206807624.00000000 2221225190230988032.00000000 -35 0.18093619 21787264810143064.00000000 1798399641777815296.00000000 -36 0.18331666 17923714507021158.00000000 1460113780208071680.00000000 -37 0.18569714 14782791874872896.00000000 1188674697384702464.00000000 -38 0.18807762 12222500018236912.00000000 970253683106253568.00000000 -39 0.19045809 10130055527007120.00000000 794007872882692480.00000000 -40 0.19283857 8415615021739664.00000000 651409185320684032.00000000 -41 0.19521904 7007404103594311.00000000 535729868642497472.00000000 -42 0.19759952 5847923149398833.00000000 441646787448162688.00000000 -43 0.19998000 4890982704634792.00000000 364936049798440064.00000000 -44 0.20236047 4099380058305855.00000000 302236599679798336.00000000 -45 0.20474095 3443072936363560.50000000 250866630980388544.00000000 -46 0.20712142 2897739803327105.50000000 208680588402680992.00000000 -47 0.20950190 2443641730231512.50000000 173957452525883648.00000000 -48 0.21188238 2064720182622847.50000000 145313212485823008.00000000 -49 0.21426285 1747879900531500.50000000 121632095578600800.00000000 -50 0.21664333 1482417398996142.25000000 102012385011103712.00000000 -51 0.21902380 1259564348103791.50000000 85723616016125744.00000000 -52 0.22140428 1072121823096055.62500000 72172671618196432.00000000 -53 0.22378476 914166620697334.50000000 60876858353838192.00000000 -54 0.22616523 780814874901897.25000000 51442470985415312.00000000 -55 0.22854571 668031345088177.62500000 43547685025326744.00000000 -56 0.23092619 572475197706402.75000000 36928870273294960.00000000 -57 0.23330666 491375017223696.43750000 31369615348612088.00000000 -58 0.23568714 422427282878762.75000000 26691905833675260.00000000 -59 0.23806761 363713727461776.00000000 22749017355659064.00000000 -60 0.24044809 313633923868580.43750000 19419777501936164.00000000 -61 0.24282857 270850179422827.46875000 16603922834260490.00000000 -62 0.24520904 234242399344135.46875000 14218333986966400.00000000 -63 0.24758952 202871042176931.96875000 12193976399202454.00000000 -64 0.24996999 175946657079131.50000000 10473409330180476.00000000 -65 0.25235047 152804785558286.25000000 9008753515708148.00000000 -66 0.25473095 132885244132744.26562500 7760029750536484.00000000 -67 0.25711142 115714991707050.21875000 6693798070776048.00000000 -68 0.25949190 100893935781497.09375000 5782041033254920.00000000 -69 0.26187237 88083152520160.01562500 5001245600011730.00000000 -70 0.26425285 76995093140359.14062500 4331646926782509.50000000 -71 0.26663333 67385427772601.54687500 3756604387007986.50000000 -72 0.26901380 59046241608835.55468750 3262085800789494.00000000 -73 0.27139428 51800349774833.88281250 2836240367171607.50000000 -74 0.27377475 45496539290685.64843750 2469044443518967.00000000 -75 0.27615523 40005580604752.36718750 2152007255715700.00000000 -76 0.27853571 35216879005868.57031250 1877925998524238.25000000 -77 0.28091618 31035658941099.05859375 1640681708661727.00000000 -78 0.28329666 27380592858896.55468750 1435068853029225.75000000 -79 0.28567714 24181801437330.78906250 1256652842017954.50000000 -80 0.28805761 21379164570263.20312500 1101650709573193.00000000 -81 0.29043809 18920892776120.61328125 966831043044471.25000000 -82 0.29281856 16762317172724.66406250 849429933120682.50000000 -83 0.29519904 14864863158246.68359375 747080276514726.50000000 -84 0.29757952 13195178721166.60546875 657752224996317.00000000 -85 0.29995999 11724393089254.82421875 579702952791786.87500000 -86 0.30234047 10427485396662.79101562 511434225551531.25000000 -87 0.30472094 9282746344038.04687500 451656510384690.06250000 -88 0.30710142 8271318567488.17480469 399258577888024.06250000 -89 0.30948190 7376803715012.67773438 353281721777076.50000000 -90 0.31186237 6584926133048.90429688 312897866268955.81250000 -91 0.31424285 5883244656157.54199219 277390951146652.00000000 -92 0.31662332 5260905323151.66503906 246141083842810.31250000 -93 0.31900380 4708428957236.67871094 218611030501033.21875000 -94 0.32138428 4217528482332.00976562 194334686738293.59375000 -95 0.32376475 3780951632714.76464844 172907226146771.31250000 -96 0.32614523 3392345373292.31689453 153976672410289.90625000 -97 0.32852571 3046138903746.23437500 137236680891462.07812500 -98 0.33090618 2737442588551.97900391 122420349005602.14062500 -99 0.33328666 2461960550639.87744141 109294902737185.01562500 -100 0.33566713 2215915001009.36767578 97657130182813.62500000 -101 0.33804761 1995980659757.72314453 87329452772606.17187500 -102 0.34042809 1799227863923.68188477 78156541451630.68750000 -103 0.34280856 1623073161113.47875977 70002399110196.42187500 -104 0.34518904 1465236360789.26660156 62747842364568.71875000 -105 0.34756951 1323703162145.03662109 56288325763902.39062500 -106 0.34994999 1196692602685.94848633 50532059931100.71093750 -107 0.35233047 1082628678332.40026855 45398382281830.09375000 -108 0.35471094 980115576921.13696289 40816345013084.29687500 -109 0.35709142 887916044754.41540527 36723490182674.42187500 -110 0.35947189 804932472361.28771973 33064786057849.37890625 -111 0.36185237 730190342575.58911133 29791702615606.51953125 -112 0.36423285 662823732831.85681152 26861407230294.85937500 -113 0.36661332 602062605441.99450684 24236064270834.15234375 -114 0.36899380 547221655564.19927979 21882224621677.62109375 -115 0.37137427 497690517478.41351318 19770293098670.76562500 -116 0.37375475 452925156373.92419434 17874063403839.87500000 -117 0.37613523 412440295758.93261719 16170311694614.90820312 -118 0.37851570 375802750349.60418701 14638441069144.30273438 -119 0.38089618 342625551338.48608398 13260170320687.17968750 -120 0.38327666 312562765664.02783203 12019261216402.63085938 -121 0.38565713 285304923632.02014160 10901279331061.47656250 -122 0.38803761 260574980256.18338013 9893384132846.57031250 -123 0.39041808 238124745227.93563843 8984144592228.87500000 -124 0.39279856 217731724699.15594482 8163377079299.22167969 -125 0.39517904 199196325241.79443359 7422002741294.44042969 -126 0.39755951 182339376584.40838623 6751921920076.91015625 -127 0.39993999 166999935147.03149414 6145903487284.20800781 -128 0.40232046 153033335112.64248657 5597487249813.21093750 -129 0.40470094 140309457881.03356934 5100897816273.67187500 -130 0.40708142 128711194330.69908142 4650968521189.46386719 -131 0.40946189 118133077436.94757080 4243074182456.04296875 -132 0.41184237 108480065520.34225464 3873071622655.27148438 -133 0.41422284 99666458781.19815063 3537247019526.31591797 -134 0.41660332 91614933858.29211426 3232269267971.67089844 -135 0.41898380 84255682972.22859192 2955148637828.93798828 -136 0.42136427 77525645809.81153870 2703200100316.33105469 -137 0.42374475 71367823704.47039795 2474010773327.39599609 -138 0.42612523 65730666894.61740112 2265411003131.63476562 -139 0.42850570 60567526718.67230225 2075448658842.31884766 -140 0.43088618 55836165551.45507812 1902366267374.07934570 -141 0.43326665 51498318118.21525574 1744580661506.27832031 -142 0.43564713 47519298554.10837555 1600664852938.55737305 -143 0.43802761 43867648220.96474457 1469331876602.99365234 -144 0.44040808 40514819860.56552124 1349420382614.03100586 -145 0.44278856 37434894163.85257721 1239881778641.27050781 -146 0.44516903 34604325276.78578186 1139768748655.16259766 -147 0.44754951 32001712153.15776825 1048224994334.37854004 -148 0.44992999 29607593008.85408783 964476063293.09533691 -149 0.45231046 27404260436.31195450 887821143997.66467285 -150 0.45469094 25375595007.09938812 817625721065.72106934 -151 0.45707141 23506915428.80210114 753314996811.45654297 -152 0.45945189 21784843533.46550751 694367995623.95886230 -153 0.46183237 20197182561.91131973 640312277219.30920410 -154 0.46421284 18732807374.17487717 590719193147.81726074 -155 0.46659332 17381565363.56724548 545199628300.96502686 -156 0.46897379 16134186982.63829422 503400175667.21600342 -157 0.47135427 14982204905.52698135 464999698335.83990479 -158 0.47373475 13917880954.51014900 429706237833.85668945 -159 0.47611522 12934140010.49296570 397254232382.88708496 -160 0.47849570 12024510209.02202225 367402012649.53009033 -161 0.48087618 11183068796.30412483 339929546096.17449951 -162 0.48325665 10404393084.68842316 314636404172.20349121 -163 0.48563713 9683516005.01710510 291339929365.57446289 -164 0.48801760 9015885804.95611000 269873581602.86752319 -165 0.49039808 8397329488.58553314 250085445678.55511475 -166 0.49277856 7824019633.77254105 231836883343.22912598 -167 0.49515903 7292444260.71441746 215001315413.95223999 -168 0.49753951 6799379458.01136589 199463120812.58245850 -169 0.49991998 6341864502.13171864 185116640811.52249146 -170 0.50230046 5917179232.54871178 171865277990.20236206 -171 0.50468094 5522823468.49110126 159620680496.55569458 -172 0.50706141 5156498274.46031189 148302003180.87377930 -173 0.50944189 4816088900.68729401 137835238037.84133911 -174 0.51182236 4499649241.76776886 128152607167.99584961 -175 0.51420284 4205387672.03560638 119192012162.66239929 -176 0.51658332 3931654129.99406910 110896534435.68713379 -177 0.51896379 3676928336.49062490 103213981579.17486572 -178 0.52134427 3439809042.43841076 96096475316.04789734 -179 0.52372474 3219004211.88870764 89500077065.99560547 -180 0.52610522 3013322055.25944567 83384447538.87232971 -181 0.52848570 2821662835.62899446 77712537125.83740234 -182 0.53086617 2643011378.30600595 72450304177.98446655 -183 0.53324665 2476430220.46628380 67566458548.78199768 -184 0.53562713 2321053343.58188391 63032228033.89037323 -185 0.53800760 2176080436.72069073 58821145572.91830444 -186 0.54038808 2040771643.62691545 54908855285.24204254 -187 0.54276855 1914442750.85614896 51272935598.58308411 -188 0.54514903 1796460778.18036032 47892737896.82670593 -189 0.54752951 1686239936.04131556 44749239264.54823303 -190 0.54990998 1583237918.05242825 41824908041.61634064 -191 0.55229046 1486952499.46378374 39103581023.65106201 -192 0.55467093 1396918415.14274549 36570351254.39828491 -193 0.55705141 1312704493.01123285 34211465455.51012039 -194 0.55943189 1233911021.04426455 32014230228.88265610 -195 0.56181236 1160167327.89528060 29966926247.60897446 -196 0.56419284 1091129558.99137735 28058729724.63241577 -197 0.56657331 1026478631.55418670 26279640514.14085388 -198 0.56895379 965918353.46530366 24620416260.32967377 -199 0.57133427 909173692.22336888 23072512062.01908875 -200 0.57371474 855989181.44633675 21628025170.31851959 -201 0.57609522 806127453.46836984 20279644280.58938980 -202 0.57847570 759367887.57705593 19020603019.83705902 -203 0.58085617 715505364.34236991 17844637266.76673126 -204 0.58323665 674349117.31286049 16745945974.44522285 -205 0.58561712 635721674.10437560 15719155195.14832687 -206 0.58799760 599457879.58922434 14759285033.83989525 -207 0.59037808 565403994.51546586 13861719281.09869576 -208 0.59275855 533416863.45238507 13022177498.41680908 -209 0.59513903 503363146.47455758 12236689348.86233711 -210 0.59751950 475118609.46757203 11501570984.31985283 -211 0.59989998 448567468.36792397 10813403317.07641411 -212 0.60228046 423601783.04138499 10169012018.56317902 -213 0.60466093 400120896.86177742 9565449101.73710060 -214 0.60704141 378030918.37871170 8999975956.02532578 -215 0.60942188 357244241.76119304 8470047715.06995773 -216 0.61180236 337679102.97661275 7973298847.80903435 -217 0.61418284 319259168.91392058 7507529872.80736256 -218 0.61656331 301913156.88767338 7070695104.29108238 -219 0.61894379 285574482.16820151 6660891346.12284851 -220 0.62132426 270180931.37392300 6276347457.04731274 -221 0.62370474 255674359.73655826 5915414717.00581837 -222 0.62608522 242000410.40997598 5576557930.21920204 -223 0.62846569 229108254.13994241 5258347206.12154579 -224 0.63084617 216950347.74638376 4959450364.14292240 -225 0.63322665 205482209.99288189 4678625912.82689190 -226 0.63560712 194662213.53105095 4414716557.86856461 -227 0.63798760 184451391.71100876 4166643197.40502024 -228 0.64036807 174813259.14422238 3933399366.31477690 -229 0.64274855 165713644.99226174 3714046094.41466904 -230 0.64512903 157120538.03510591 3507707146.30673504 -231 0.64750950 149003942.64625767 3313564613.24946308 -232 0.64988998 141335744.86953872 3130854829.82687378 -233 0.65227045 134089587.85460506 2958864590.38631916 -234 0.65465093 127240755.96536040 2796927642.22806835 -235 0.65703141 120766066.92802103 2644421434.37406111 -236 0.65941188 114643771.43394454 2500764102.43333578 -237 0.66179236 108853459.65683237 2365411671.63119888 -238 0.66417283 103375974.18489981 2237855461.49078798 -239 0.66655331 98193328.90632999 2117619676.95951128 -240 0.66893379 93288633.42109150 2004259171.96985316 -241 0.67131426 88646022.58421576 1897357372.52252340 -242 0.67369474 84250590.81515710 1796524347.38910174 -243 0.67607522 80088330.83507203 1701395015.45818806 -244 0.67845569 76146076.51895000 1611627479.60066557 -245 0.68083617 72411449.57269046 1526901477.71274018 -246 0.68321664 68872809.76658328 1446916942.31512833 -247 0.68559712 65519208.47638027 1371392660.74895978 -248 0.68797760 62340345.30135018 1300065028.61794209 -249 0.69035807 59326527.54553801 1232686889.68703818 -250 0.69273855 56468632.36398441 1169026455.96386194 -251 0.69511902 53758071.39002629 1108866302.16427183 -252 0.69749950 51186757.67307058 1052002429.20124805 -253 0.69987998 48747074.76851124 998243391.73952127 -254 0.70226045 46431847.83281297 947409485.23009527 -255 0.70464093 44234316.58728420 899331988.18140411 -256 0.70702140 42148110.02378646 853852455.73993146 -257 0.70940188 40167222.73462086 810822060.94452310 -258 0.71178236 38285992.75716550 770100980.28763473 -259 0.71416283 36499080.83154953 731557820.46491027 -260 0.71654331 34801450.97679995 695069083.42368925 -261 0.71892378 33188352.29751929 660518667.03266609 -262 0.72130426 31655301.93928948 627797398.89033687 -263 0.72368474 30198069.11669101 596802600.97053730 -264 0.72606521 28812660.14310217 567437682.97024918 -265 0.72844569 27495304.39634135 539611762.37919319 -266 0.73082617 26242441.15875489 513239309.43336481 -267 0.73320664 25050707.27457129 488239815.24668783 -268 0.73558712 23916925.57125544 464537481.53705251 -269 0.73796759 22838093.99522909 442060930.47597343 -270 0.74034807 21811375.41570051 420742933.29573375 -271 0.74272855 20834088.05348045 400520156.38470215 -272 0.74510902 19903696.49457584 381332923.69122285 -273 0.74748950 19017803.25105938 363124994.33953512 -274 0.74986997 18174140.83423195 345843354.43820590 -275 0.75225045 17370564.30743452 329438022.13288218 -276 0.75463093 16605044.28804489 313861865.02135682 -277 0.75701140 15875660.37021901 299070429.11024708 -278 0.75939188 15180594.94182232 285021778.54951346 -279 0.76177235 14518127.37075180 271676345.43382478 -280 0.76415283 13886628.53748099 258996789.00874904 -281 0.76653331 13284555.69218361 246947863.66523334 -282 0.76891378 12710447.61620625 235496295.14804053 -283 0.77129426 12162920.06898233 224610664.44301954 -284 0.77367473 11640661.50270763 214261298.84448725 -285 0.77605521 11142429.02824582 204420169.73784113 -286 0.77843569 10667044.61680025 195060796.66396171 -287 0.78081616 10213391.52288485 186158157.26117402 -288 0.78319664 9780410.91505700 177688602.70772293 -289 0.78557712 9367098.70174190 169629778.31296962 -290 0.78795759 8972502.54028747 161960548.92903221 -291 0.79033807 8595719.01814345 154660928.87644196 -292 0.79271854 8235890.99576366 147712016.09774664 -293 0.79509902 7892205.10148880 141095930.27192992 -294 0.79747950 7563889.36928091 134795754.64013875 -295 0.79985997 7250211.01075590 128795481.30964045 -296 0.80224045 6950474.31349611 123079959.81821631 -297 0.80462092 6664018.65812685 117634848.75545143 -298 0.80700140 6390216.64710859 112446570.25064817 -299 0.80938188 6128472.33863542 107502267.14946893 -300 0.81176235 5878219.57943935 102789762.71294966 -301 0.81414283 5638920.43068317 98297522.68327102 -302 0.81652330 5410063.68148335 94014619.57071373 -303 0.81890378 5191163.44493902 89930699.02557357 -304 0.82128426 4981757.83185777 86035948.16754536 -305 0.82366473 4781407.69766165 82321065.75322556 -306 0.82604521 4589695.45823258 78777234.06999029 -307 0.82842569 4406223.97071341 75396092.45160474 -308 0.83080616 4230615.47552199 72169712.31754243 -309 0.83318664 4062510.59606162 69090573.64418949 -310 0.83556711 3901567.39282289 66151542.78188709 -311 0.83794759 3747460.46877015 63345851.53717291 -312 0.84032807 3599880.12309177 60667077.44462607 -313 0.84270854 3458531.55056757 58109125.15744526 -314 0.84508902 3323134.08397042 55666208.89029790 -315 0.84746949 3193420.47707191 53332835.85210834 -316 0.84984997 3069136.22596602 51103790.61030693 -317 0.85223045 2950038.92655934 48974120.33167582 -318 0.85461092 2835897.66620329 46939120.84830391 -319 0.85699140 2726492.44756199 44994323.50032151 -320 0.85937187 2621613.64292152 43135482.71004695 -321 0.86175235 2521061.47725056 41358564.24494436 -322 0.86413283 2424645.53842085 39659734.12938729 -323 0.86651330 2332184.31308824 38035348.16764826 -324 0.86889378 2243504.74682163 36481942.04281229 -325 0.87127425 2158441.82714901 34996221.95844255 -326 0.87365473 2076838.18826573 33575055.79182182 -327 0.87603521 1998543.73622270 32215464.72946784 -328 0.87841568 1923415.29347948 30914615.35737243 -329 0.88079616 1851316.26177103 29669812.18006179 -330 0.88317664 1782116.30229653 28478490.54411504 -331 0.88555711 1715691.03229507 27338209.94322696 -332 0.88793759 1651921.73712587 26246647.68325745 -333 0.89031806 1590695.09702044 25201592.88698239 -334 0.89269854 1531902.92772106 24200940.81945706 -335 0.89507902 1475441.93426389 23242687.51602316 -336 0.89745949 1421213.47720662 22324924.69604483 -337 0.89983997 1369123.35063971 21445834.94644536 -338 0.90222044 1319081.57135689 20603687.16004656 -339 0.90460092 1271002.17859545 19796832.21458270 -340 0.90698140 1224803.04378931 19023698.87908141 -341 0.90936187 1180405.68980876 18282789.93507164 -342 0.91174235 1137735.11918970 17572678.50080294 -343 0.91412282 1096719.65088239 16892004.54733986 -344 0.91650330 1057290.76507574 16239471.59603269 -345 0.91888378 1019382.95567709 15613843.58746793 -346 0.92126425 982933.59005068 15013941.91256526 -347 0.92364473 947882.77563925 14438642.59701999 -348 0.92602521 914173.23311379 13886873.63078808 -349 0.92840568 881750.17571556 13357612.43478226 -350 0.93078616 850561.19447267 12849883.45738916 -351 0.93316663 820556.14899046 12362755.89383345 -352 0.93554711 791687.06353130 11895341.52180735 -353 0.93792759 763908.02811443 11446792.64715180 -354 0.94030806 737175.10438084 11016300.15372364 -355 0.94268854 711446.23598204 10603091.65190939 -356 0.94506901 686681.16326394 10206429.72055442 -357 0.94744949 662841.34202958 9825610.23736680 -358 0.94982997 639889.86617565 9459960.79312761 -359 0.95221044 617791.39400853 9108839.18529769 -360 0.95459092 596512.07805601 8771631.98685326 -361 0.95697139 576019.49820015 8447753.18641165 -362 0.95935187 556282.59796625 8136642.89592391 -363 0.96173235 537271.62381115 7837766.12241462 -364 0.96411282 518958.06726247 7550611.60044098 -365 0.96649330 501314.60976805 7274690.68212380 -366 0.96887377 484315.07012205 7009536.28177402 -367 0.97125425 467934.35434123 6754701.87229900 -368 0.97363473 452148.40787120 6509760.53072508 -369 0.97601520 436934.17000890 6274304.03031570 -370 0.97839568 422269.53043318 6047941.97690004 -371 0.98077616 408133.28774093 5830300.98715492 -372 0.98315663 394505.10989155 5621023.90670278 -373 0.98553711 381365.49646722 5419769.06600282 -374 0.98791758 368695.74266161 5226209.57211987 -375 0.99029806 356477.90491347 5040032.63455684 -376 0.99267854 344694.76810628 4860938.92343286 -377 0.99505901 333329.81425890 4688641.95837952 -378 0.99743949 322367.19263589 4522867.52661368 -379 0.99981996 311791.69120978 4363353.12872582 -380 1.00220044 301588.70941110 4209847.45079981 -381 1.00458092 291744.23210489 4062109.86155189 -382 1.00696139 282244.80473585 3919909.93324554 -383 1.00934187 273077.50958665 3783026.98520307 -384 1.01172234 264229.94309729 3651249.64879624 -385 1.01410282 255690.19419532 3524375.45285603 -386 1.01648330 247446.82358982 3402210.42849617 -387 1.01886377 239488.84398387 3284568.73239719 -388 1.02124425 231805.70116266 3171272.28764633 -389 1.02362472 224387.25591665 3062150.44127531 -390 1.02600520 217223.76676078 2957039.63768180 -391 1.02838568 210305.87341303 2855783.10716165 -392 1.03076615 203624.58099713 2758230.56881884 -393 1.03314663 197171.24493610 2664237.94715682 -394 1.03552711 190937.55650474 2573667.10169036 -395 1.03790758 184915.52901102 2486385.56895061 -396 1.04028806 179097.48457733 2402266.31628743 -397 1.04266853 173476.04149442 2321187.50690308 -398 1.04504901 168044.10212183 2243032.27557995 -399 1.04742949 162794.84130987 2167688.51459171 -400 1.04980996 157721.69531976 2095048.66931278 -401 1.05219044 152818.35121911 2025009.54306538 -402 1.05457091 148078.73673144 1957472.11076610 -403 1.05695139 143497.01051924 1892341.34095574 -404 1.05933187 139067.55288114 1829526.02581692 -405 1.06171234 134784.95684454 1768938.61880328 -406 1.06409282 130644.01963603 1710495.07952265 -407 1.06647329 126639.73451291 1654114.72553432 -408 1.06885377 122767.28293938 1599720.09073708 -409 1.07123425 119022.02709250 1547236.79004043 -410 1.07361472 115399.50268297 1496593.39002661 -411 1.07599520 111895.41207700 1447721.28532516 -412 1.07837568 108505.61770596 1400554.58043531 -413 1.08075615 105226.13575105 1355029.97674431 -414 1.08313663 102053.13009099 1311086.66450199 -415 1.08551710 98982.90650127 1268666.21952361 -416 1.08789758 96011.90709374 1227712.50440353 -417 1.09027806 93136.70498634 1188171.57403339 -418 1.09265853 90353.99919273 1149991.58522776 -419 1.09503901 87660.60972238 1113122.71026993 -420 1.09741948 85053.47288194 1077517.05419956 -421 1.09979996 82529.63676929 1043128.57567210 -422 1.10218044 80086.25695181 1009913.01122820 -423 1.10456091 77720.59232109 977827.80281898 -424 1.10694139 75430.00111639 946832.02844019 -425 1.10932186 73211.93710969 916886.33573542 -426 1.11170234 71063.94594538 887952.87843493 -427 1.11408282 68983.66162799 859995.25550308 -428 1.11646329 66968.80315171 832978.45287317 -429 1.11884377 65017.17126567 806868.78765437 -430 1.12122424 63126.64536909 781633.85470047 -431 1.12360472 61295.18053102 757242.47543578 -432 1.12598520 59520.80462931 733664.64883789 -433 1.12836567 57801.61560369 710871.50448205 -434 1.13074615 56135.77881841 688835.25755611 -435 1.13312663 54521.52452958 667529.16575921 -436 1.13550710 52957.14545301 646927.48800152 -437 1.13788758 51440.99442833 627005.44482591 -438 1.14026805 49971.48217525 607739.18047640 -439 1.14264853 48547.07513835 589105.72654128 -440 1.14502901 47166.29341651 571082.96710243 -441 1.14740948 45827.70877366 553649.60532527 -442 1.14978996 44529.94272731 536785.13142696 -443 1.15217043 43271.66471182 520469.79196294 -444 1.15455091 42051.59031330 504684.56037517 -445 1.15693139 40868.47957306 489411.10874744 -446 1.15931186 39721.13535702 474631.78071587 -447 1.16169234 38608.40178822 460329.56548512 -448 1.16407281 37529.16273993 446488.07290278 -449 1.16645329 36482.34038691 433091.50954689 -450 1.16883377 35466.89381235 420124.65578316 -451 1.17121424 34481.81766843 407572.84375077 -452 1.17359472 33526.14088809 395421.93623728 -453 1.17597520 32598.92544618 383658.30640490 -454 1.17835567 31699.26516781 372268.81833210 -455 1.18073615 30826.28458215 361240.80833625 -456 1.18311662 29979.13781971 350562.06704429 -457 1.18549710 29157.00755156 340220.82217994 -458 1.18787758 28359.10396859 330205.72203753 -459 1.19025805 27584.66379936 320505.81961358 -460 1.19263853 26832.94936501 311110.55736873 -461 1.19501900 26103.24766967 302009.75259361 -462 1.19739948 25394.86952502 293193.58335370 -463 1.19977996 24707.14870766 284652.57498902 -464 1.20216043 24039.44114796 276377.58714563 -465 1.20454091 23391.12414919 268359.80131704 -466 1.20692138 22761.59563572 260590.70887443 -467 1.20930186 22150.27342912 253062.09956555 -468 1.21168234 21556.59455113 245766.05046303 -469 1.21406281 20980.01455242 238694.91534371 -470 1.21644329 20420.00686616 231841.31448125 -471 1.21882376 19876.06218533 225198.12483525 -472 1.22120424 19347.68786300 218758.47062059 -473 1.22358472 18834.40733465 212515.71424164 -474 1.22596519 18335.75956156 206463.44757641 -475 1.22834567 17851.29849459 200595.48359657 -476 1.23072615 17380.59255757 194905.84830961 -477 1.23310662 16923.22414941 189388.77301028 -478 1.23548710 16478.78916437 184038.68682876 -479 1.23786757 16046.89652970 178850.20956365 -480 1.24024805 15627.16776001 173818.14478838 -481 1.24262853 15219.23652774 168937.47322002 -482 1.24500900 14822.74824914 164203.34634008 -483 1.24738948 14437.35968509 159611.08025719 -484 1.24976995 14062.73855630 155156.14980208 -485 1.25215043 13698.56317226 150834.18284551 -486 1.25453091 13344.52207352 146640.95483057 -487 1.25691138 13000.31368668 142572.38351047 -488 1.25929186 12665.64599169 138624.52388413 -489 1.26167233 12340.23620095 134793.56332142 -490 1.26405281 12023.81044990 131075.81687078 -491 1.26643329 11716.10349841 127467.72274206 -492 1.26881376 11416.85844286 123965.83795757 -493 1.27119424 11125.82643832 120566.83416490 -494 1.27357471 10842.76643049 117267.49360516 -495 1.27595519 10567.44489711 114064.70523051 -496 1.27833567 10299.63559839 110955.46096524 -497 1.28071614 10039.11933625 107936.85210490 -498 1.28309662 9785.68372185 105006.06584790 -499 1.28547710 9539.12295135 102160.38195473 -500 1.28785757 9299.23758943 99397.16952969 -501 1.29023805 9065.83436027 96713.88392044 -502 1.29261852 8838.72594587 94108.06373092 -503 1.29499900 8617.73079129 91577.32794322 -504 1.29737948 8402.67291665 89119.37314421 -505 1.29975995 8193.38173557 86731.97085299 -506 1.30214043 7989.69187990 84412.96494523 -507 1.30452090 7791.44303043 82160.26917084 -508 1.30690138 7598.47975346 79971.86476123 -509 1.30928186 7410.65134286 77845.79812297 -510 1.31166233 7227.81166766 75780.17861439 -511 1.31404281 7049.81902469 73773.17640212 -512 1.31642328 6876.53599636 71823.02039451 -513 1.31880376 6707.82931318 69927.99624895 -514 1.32118424 6543.56972097 68086.44445050 -515 1.32356471 6383.63185258 66296.75845897 -516 1.32594519 6227.89410393 64557.38292196 -517 1.32832567 6076.23851418 62866.81195143 -518 1.33070614 5928.55065003 61223.58746132 -519 1.33308662 5784.71949380 59626.29756414 -520 1.33546709 5644.63733533 58073.57502407 -521 1.33784757 5508.19966749 56564.09576475 -522 1.34022805 5375.30508511 55096.57742948 -523 1.34260852 5245.85518740 53669.77799212 -524 1.34498900 5119.75448349 52282.49441664 -525 1.34736947 4996.91030121 50933.56136364 -526 1.34974995 4877.23269882 49621.84994205 -527 1.35213043 4760.63437967 48346.26650439 -528 1.35451090 4647.03060976 47105.75148396 -529 1.35689138 4536.33913790 45899.27827248 -530 1.35927185 4428.48011856 44725.85213662 -531 1.36165233 4323.37603725 43584.50917208 -532 1.36403281 4220.95163836 42474.31529383 -533 1.36641328 4121.13385530 41394.36526118 -534 1.36879376 4023.85174302 40343.78173641 -535 1.37117423 3929.03641261 39321.71437583 -536 1.37355471 3836.62096817 38327.33895195 -537 1.37593519 3746.54044556 37359.85650576 -538 1.37831566 3658.73175333 36418.49252803 -539 1.38069614 3573.13361539 35502.49616854 -540 1.38307662 3489.68651564 34611.13947216 -541 1.38545709 3408.33264434 33743.71664112 -542 1.38783757 3329.01584623 32899.54332208 -543 1.39021804 3251.68157029 32077.95591758 -544 1.39259852 3176.27682113 31278.31092065 -545 1.39497900 3102.75011195 30499.98427193 -546 1.39735947 3031.05141899 29742.37073850 -547 1.39973995 2961.13213740 29004.88331355 -548 1.40212042 2892.94503857 28286.95263627 -549 1.40450090 2826.44422882 27588.02643118 -550 1.40688138 2761.58510933 26907.56896620 -551 1.40926185 2698.32433741 26245.06052886 -552 1.41164233 2636.61978898 25599.99692001 -553 1.41402280 2576.43052221 24971.88896433 -554 1.41640328 2517.71674233 24360.26203711 -555 1.41878376 2460.43976753 23764.65560684 -556 1.42116423 2404.56199597 23184.62279282 -557 1.42354471 2350.04687376 22619.72993746 -558 1.42592519 2296.85886401 22069.55619271 -559 1.42830566 2244.96341678 21533.69312012 -560 1.43068614 2194.32694004 21011.74430401 -561 1.43306661 2144.91677147 20503.32497739 -562 1.43544709 2096.70115118 20008.06166015 -563 1.43782757 2049.64919525 19525.59180905 -564 1.44020804 2003.73087011 19055.56347919 -565 1.44258852 1958.91696769 18597.63499648 -566 1.44496899 1915.17908137 18151.47464083 -567 1.44734947 1872.48958263 17716.76033956 -568 1.44972995 1830.82159846 17293.17937085 -569 1.45211042 1790.14898940 16880.42807672 -570 1.45449090 1750.44632837 16478.21158533 -571 1.45687137 1711.68888002 16086.24354225 -572 1.45925185 1673.85258076 15704.24585039 -573 1.46163233 1636.91401946 15331.94841824 -574 1.46401280 1600.85041863 14969.08891630 -575 1.46639328 1565.63961625 14615.41254125 -576 1.46877375 1531.26004812 14270.67178767 -577 1.47115423 1497.69073076 13934.62622710 -578 1.47353471 1464.91124481 13607.04229409 -579 1.47591518 1432.90171893 13287.69307914 -580 1.47829566 1401.64281425 12976.35812814 -581 1.48067614 1371.11570914 12672.82324824 -582 1.48305661 1341.30208465 12376.88031985 -583 1.48543709 1312.18411014 12088.32711460 -584 1.48781756 1283.74442958 11806.96711901 -585 1.49019804 1255.96614809 11532.60936380 -586 1.49257852 1228.83281895 11265.06825849 -587 1.49495899 1202.32843099 11004.16343122 -588 1.49733947 1176.43739636 10749.71957367 -589 1.49971994 1151.14453865 10501.56629074 -590 1.50210042 1126.43508135 10259.53795497 -591 1.50448090 1102.29463672 10023.47356551 -592 1.50686137 1078.70919489 9793.21661150 -593 1.50924185 1055.66511333 9568.61493969 -594 1.51162232 1033.14910669 9349.52062615 -595 1.51400280 1011.14823681 9135.78985196 -596 1.51638328 989.64990312 8927.28278283 -597 1.51876375 968.64183331 8723.86345235 -598 1.52114423 948.11207423 8525.39964885 -599 1.52352470 928.04898311 8331.76280583 -600 1.52590518 908.44121900 8142.82789565 -601 1.52828566 889.27773443 7958.47332657 -602 1.53066613 870.54776744 7778.58084294 -603 1.53304661 852.24083365 7603.03542838 -604 1.53542709 834.34671874 7431.72521198 -605 1.53780756 816.85547105 7264.54137737 -606 1.54018804 799.75739438 7101.37807453 -607 1.54256851 783.04304107 6942.13233427 -608 1.54494899 766.70320524 6786.70398537 -609 1.54732947 750.72891619 6634.99557417 -610 1.54970994 735.11143208 6486.91228661 -611 1.55209042 719.84223369 6342.36187267 -612 1.55447089 704.91301841 6201.25457302 -613 1.55685137 690.31569443 6063.50304795 -614 1.55923185 676.04237502 5929.02230838 -615 1.56161232 662.08537303 5797.72964899 -616 1.56399280 648.43719555 5669.54458330 -617 1.56637327 635.09053868 5544.38878077 -618 1.56875375 622.03828249 5422.18600573 -619 1.57113423 609.27348607 5302.86205810 -620 1.57351470 596.78938279 5186.34471598 -621 1.57589518 584.57937564 5072.56367984 -622 1.57827566 572.63703274 4961.45051845 -623 1.58065613 560.95608290 4852.93861634 -624 1.58303661 549.53041143 4746.96312290 -625 1.58541708 538.35405594 4643.46090291 -626 1.58779756 527.42120236 4542.37048858 -627 1.59017804 516.72618100 4443.63203297 -628 1.59255851 506.26346272 4347.18726481 -629 1.59493899 496.02765531 4252.97944461 -630 1.59731946 486.01349980 4160.95332214 -631 1.59969994 476.21586704 4071.05509502 -632 1.60208042 466.62975427 3983.23236867 -633 1.60446089 457.25028180 3897.43411730 -634 1.60684137 448.07268983 3813.61064616 -635 1.60922184 439.09233531 3731.71355477 -636 1.61160232 430.30468888 3651.69570131 -637 1.61398280 421.70533197 3573.51116800 -638 1.61636327 413.28995386 3497.11522747 -639 1.61874375 405.05434893 3422.46431018 -640 1.62112422 396.99441395 3349.51597268 -641 1.62350470 389.10614538 3278.22886684 -642 1.62588518 381.38563686 3208.56270999 -643 1.62826565 373.82907667 3140.47825586 -644 1.63064613 366.43274533 3073.93726637 -645 1.63302661 359.19301317 3008.90248430 -646 1.63540708 352.10633812 2945.33760663 -647 1.63778756 345.16926338 2883.20725873 -648 1.64016803 338.37841530 2822.47696921 -649 1.64254851 331.73050121 2763.11314561 -650 1.64492899 325.22230743 2705.08305063 -651 1.64730946 318.85069717 2648.35477913 -652 1.64968994 312.61260865 2592.89723578 -653 1.65207041 306.50505316 2538.68011331 -654 1.65445089 300.52511320 2485.67387138 -655 1.65683137 294.66994074 2433.84971610 -656 1.65921184 288.93675538 2383.17958003 -657 1.66159232 283.32284272 2333.63610283 -658 1.66397279 277.82555265 2285.19261240 -659 1.66635327 272.44229776 2237.82310662 -660 1.66873375 267.17055176 2191.50223550 -661 1.67111422 262.00784794 2146.20528391 -662 1.67349470 256.95177768 2101.90815477 -663 1.67587518 251.99998901 2058.58735269 -664 1.67825565 247.15018520 2016.21996810 -665 1.68063613 242.40012335 1974.78366179 -666 1.68301660 237.74761310 1934.25664991 -667 1.68539708 233.19051527 1894.61768935 -668 1.68777756 228.72674065 1855.84606357 -669 1.69015803 224.35424871 1817.92156876 -670 1.69253851 220.07104643 1780.82450047 -671 1.69491898 215.87518711 1744.53564052 -672 1.69729946 211.76476923 1709.03624431 -673 1.69967994 207.73793534 1674.30802851 -674 1.70206041 203.79287099 1640.33315903 -675 1.70444089 199.92780364 1607.09423935 -676 1.70682136 196.14100166 1574.57429918 -677 1.70920184 192.43077332 1542.75678340 -678 1.71158232 188.79546583 1511.62554134 -679 1.71396279 185.23346435 1481.16481630 -680 1.71634327 181.74319111 1451.35923540 -681 1.71872374 178.32310448 1422.19379974 -682 1.72110422 174.97169810 1393.65387468 -683 1.72348470 171.68750001 1365.72518059 -684 1.72586517 168.46907186 1338.39378366 -685 1.72824565 165.31500805 1311.64608710 -686 1.73062613 162.22393493 1285.46882248 -687 1.73300660 159.19451009 1259.84904139 -688 1.73538708 156.22542155 1234.77410723 -689 1.73776755 153.31538706 1210.23168728 -690 1.74014803 150.46315336 1186.20974500 -691 1.74252851 147.66749551 1162.69653249 -692 1.74490898 144.92721619 1139.68058315 -693 1.74728946 142.24114506 1117.15070460 -694 1.74966993 139.60813808 1095.09597171 -695 1.75205041 137.02707694 1073.50571987 -696 1.75443089 134.49686838 1052.36953841 -697 1.75681136 132.01644365 1031.67726420 -698 1.75919184 129.58475789 1011.41897545 -699 1.76157231 127.20078959 991.58498564 -700 1.76395279 124.86354001 972.16583759 -701 1.76633327 122.57203267 953.15229777 -702 1.76871374 120.32531280 934.53535066 -703 1.77109422 118.12244684 916.30619334 -704 1.77347469 115.96252194 898.45623018 -705 1.77585517 113.84464547 880.97706764 -706 1.77823565 111.76794452 863.86050932 -707 1.78061612 109.73156551 847.09855100 -708 1.78299660 107.73467366 830.68337589 -709 1.78537708 105.77645257 814.60735002 -710 1.78775755 103.85610382 798.86301767 -711 1.79013803 101.97284652 783.44309701 -712 1.79251850 100.12591692 768.34047578 -713 1.79489898 98.31456799 753.54820714 -714 1.79727946 96.53806906 739.05950558 -715 1.79965993 94.79570541 724.86774297 -716 1.80204041 93.08677791 710.96644470 -717 1.80442088 91.41060269 697.34928592 -718 1.80680136 89.76651075 684.01008786 -719 1.80918184 88.15384760 670.94281429 -720 1.81156231 86.57197300 658.14156802 -721 1.81394279 85.02026055 645.60058754 -722 1.81632326 83.49809742 633.31424367 -723 1.81870374 82.00488403 621.27703640 -724 1.82108422 80.54003373 609.48359174 -725 1.82346469 79.10297253 597.92865862 -726 1.82584517 77.69313879 586.60710600 -727 1.82822565 76.30998294 575.51391990 -728 1.83060612 74.95296722 564.64420060 -729 1.83298660 73.62156538 553.99315990 -730 1.83536707 72.31526247 543.55611842 -731 1.83774755 71.03355451 533.32850297 -732 1.84012803 69.77594833 523.30584404 -733 1.84250850 68.54196125 513.48377329 -734 1.84488898 67.33112086 503.85802112 -735 1.84726945 66.14296483 494.42441434 -736 1.84964993 64.97704064 485.17887384 -737 1.85203041 63.83290535 476.11741235 -738 1.85441088 62.71012543 467.23613227 -739 1.85679136 61.60827651 458.53122353 -740 1.85917183 60.52694321 449.99896150 -741 1.86155231 59.46571887 441.63570498 -742 1.86393279 58.42420545 433.43789422 -743 1.86631326 57.40201326 425.40204899 -744 1.86869374 56.39876082 417.52476669 -745 1.87107421 55.41407463 409.80272055 -746 1.87345469 54.44758906 402.23265781 -747 1.87583517 53.49894611 394.81139800 -748 1.87821564 52.56779527 387.53583123 -749 1.88059612 51.65379335 380.40291655 -750 1.88297660 50.75660434 373.40968030 -751 1.88535707 49.87589919 366.55321458 -752 1.88773755 49.01135574 359.83067568 -753 1.89011802 48.16265849 353.23928258 -754 1.89249850 47.32949850 346.77631553 -755 1.89487898 46.51157323 340.43911457 -756 1.89725945 45.70858642 334.22507817 -757 1.89963993 44.92024791 328.13166186 -758 1.90202040 44.14627353 322.15637692 -759 1.90440088 43.38638500 316.29678909 -760 1.90678136 42.64030973 310.55051727 -761 1.90916183 41.90778076 304.91523235 -762 1.91154231 41.18853663 299.38865598 -763 1.91392278 40.48232120 293.96855940 -764 1.91630326 39.78888361 288.65276230 -765 1.91868374 39.10797813 283.43913172 -766 1.92106421 38.43936404 278.32558092 -767 1.92344469 37.78280555 273.31006839 -768 1.92582517 37.13807167 268.39059676 -769 1.92820564 36.50493610 263.56521180 -770 1.93058612 35.88317716 258.83200144 -771 1.93296659 35.27257766 254.18909484 -772 1.93534707 34.67292483 249.63466137 -773 1.93772755 34.08401019 245.16690979 -774 1.94010802 33.50562950 240.78408729 -775 1.94248850 32.93758263 236.48447864 -776 1.94486897 32.37967351 232.26640533 -777 1.94724945 31.83170999 228.12822476 -778 1.94962993 31.29350382 224.06832940 -779 1.95201040 30.76487052 220.08514602 -780 1.95439088 30.24562931 216.17713489 -781 1.95677135 29.73560306 212.34278907 -782 1.95915183 29.23461816 208.58063363 -783 1.96153231 28.74250450 204.88922493 -784 1.96391278 28.25909535 201.26714997 -785 1.96629326 27.78422730 197.71302564 -786 1.96867373 27.31774024 194.22549808 -787 1.97105421 26.85947720 190.80324203 -788 1.97343469 26.40928436 187.44496019 -789 1.97581516 25.96701095 184.14938258 -790 1.97819564 25.53250919 180.91526596 -791 1.98057612 25.10563422 177.74139319 -792 1.98295659 24.68624406 174.62657271 -793 1.98533707 24.27419952 171.56963793 -794 1.98771754 23.86936419 168.56944667 -795 1.99009802 23.47160431 165.62488067 -796 1.99247850 23.08078878 162.73484499 -797 1.99485897 22.69678908 159.89826757 -798 1.99723945 22.31947919 157.11409866 -799 1.99961992 21.94873559 154.38131037 -800 2.00200040 21.58443718 151.69889618 -801 2.00438088 21.22646521 149.06587046 -802 2.00676135 20.87470328 146.48126802 -803 2.00914183 20.52903723 143.94414366 -804 2.01152230 20.18935515 141.45357172 -805 2.01390278 19.85554732 139.00864570 -806 2.01628326 19.52750612 136.60847776 -807 2.01866373 19.20512606 134.25219840 -808 2.02104421 18.88830367 131.93895600 -809 2.02342468 18.57693751 129.66791645 -810 2.02580516 18.27092808 127.43826278 -811 2.02818564 17.97017783 125.24919476 -812 2.03056611 17.67459107 123.09992858 -813 2.03294659 17.38407398 120.98969646 -814 2.03532707 17.09853454 118.91774629 -815 2.03770754 16.81788249 116.88334136 -816 2.04008802 16.54202932 114.88575994 -817 2.04246849 16.27088822 112.92429502 -818 2.04484897 16.00437404 110.99825396 -819 2.04722945 15.74240327 109.10695822 -820 2.04960992 15.48489399 107.24974299 -821 2.05199040 15.23176584 105.42595697 -822 2.05437087 14.98294003 103.63496203 -823 2.05675135 14.73833922 101.87613294 -824 2.05913183 14.49788759 100.14885712 -825 2.06151230 14.26151074 98.45253433 -826 2.06389278 14.02913569 96.78657644 -827 2.06627325 13.80069084 95.15040713 -828 2.06865373 13.57610596 93.54346170 -829 2.07103421 13.35531214 91.96518677 -830 2.07341468 13.13824178 90.41504006 -831 2.07579516 12.92482856 88.89249017 -832 2.07817564 12.71500740 87.39701631 -833 2.08055611 12.50871447 85.92810813 -834 2.08293659 12.30588711 84.48526543 -835 2.08531706 12.10646386 83.06799801 -836 2.08769754 11.91038443 81.67582543 -837 2.09007802 11.71758962 80.30827681 -838 2.09245849 11.52802139 78.96489062 -839 2.09483897 11.34162274 77.64521449 -840 2.09721944 11.15833777 76.34880504 -841 2.09959992 10.97811161 75.07522764 -842 2.10198040 10.80089042 73.82405628 -843 2.10436087 10.62662136 72.59487336 -844 2.10674135 10.45525258 71.38726951 -845 2.10912182 10.28673318 70.20084344 -846 2.11150230 10.12101323 69.03520178 -847 2.11388278 9.95804370 67.88995886 -848 2.11626325 9.79777649 66.76473662 -849 2.11864373 9.64016439 65.65916440 -850 2.12102420 9.48516105 64.57287881 -851 2.12340468 9.33272098 63.50552356 -852 2.12578516 9.18279954 62.45674937 -853 2.12816563 9.03535291 61.42621373 -854 2.13054611 8.89033807 60.41358086 -855 2.13292659 8.74771280 59.41852149 -856 2.13530706 8.60743564 58.44071278 -857 2.13768754 8.46946592 57.47983815 -858 2.14006801 8.33376369 56.53558720 -859 2.14244849 8.20028974 55.60765553 -860 2.14482897 8.06900559 54.69574464 -861 2.14720944 7.93987344 53.79956180 -862 2.14958992 7.81285620 52.91881998 -863 2.15197039 7.68791744 52.05323765 -864 2.15435087 7.56502141 51.20253874 -865 2.15673135 7.44413300 50.36645249 -866 2.15911182 7.32521775 49.54471335 -867 2.16149230 7.20824182 48.73706088 -868 2.16387277 7.09317196 47.94323965 -869 2.16625325 6.97997557 47.16299913 -870 2.16863373 6.86862060 46.39609357 -871 2.17101420 6.75907559 45.64228196 -872 2.17339468 6.65130967 44.90132786 -873 2.17577516 6.54529250 44.17299940 -874 2.17815563 6.44099430 43.45706907 -875 2.18053611 6.33838581 42.75331376 -876 2.18291658 6.23743833 42.06151456 -877 2.18529706 6.13812364 41.38145674 -878 2.18767754 6.04041404 40.71292967 -879 2.19005801 5.94428234 40.05572669 -880 2.19243849 5.84970182 39.40964506 -881 2.19481896 5.75664624 38.77448589 -882 2.19719944 5.66508983 38.15005406 -883 2.19957992 5.57500729 37.53615812 -884 2.20196039 5.48637376 36.93261024 -885 2.20434087 5.39916484 36.33922613 -886 2.20672134 5.31335653 35.75582497 -887 2.20910182 5.22892528 35.18222936 -888 2.21148230 5.14584797 34.61826521 -889 2.21386277 5.06410187 34.06376170 -890 2.21624325 4.98366466 33.51855123 -891 2.21862372 4.90451441 32.98246933 -892 2.22100420 4.82662958 32.45535461 -893 2.22338468 4.74998902 31.93704870 -894 2.22576515 4.67457195 31.42739618 -895 2.22814563 4.60035795 30.92624453 -896 2.23052611 4.52732695 30.43344408 -897 2.23290658 4.45545927 29.94884794 -898 2.23528706 4.38473553 29.47231195 -899 2.23766753 4.31513671 29.00369464 -900 2.24004801 4.24664415 28.54285714 -901 2.24242849 4.17923947 28.08966318 -902 2.24480896 4.11290465 27.64397900 -903 2.24718944 4.04762195 27.20567332 -904 2.24956991 3.98337398 26.77461727 -905 2.25195039 3.92014363 26.35068439 -906 2.25433087 3.85791408 25.93375052 -907 2.25671134 3.79666883 25.52369381 -908 2.25909182 3.73639163 25.12039463 -909 2.26147229 3.67706656 24.72373557 -910 2.26385277 3.61867793 24.33360136 -911 2.26623325 3.56121036 23.94987885 -912 2.26861372 3.50464871 23.57245697 -913 2.27099420 3.44897811 23.20122668 -914 2.27337467 3.39418395 22.83608092 -915 2.27575515 3.34025187 22.47691461 -916 2.27813563 3.28716777 22.12362456 -917 2.28051610 3.23491777 21.77610948 -918 2.28289658 3.18348825 21.43426993 -919 2.28527706 3.13286581 21.09800825 -920 2.28765753 3.08303729 20.76722858 -921 2.29003801 3.03398975 20.44183680 -922 2.29241848 2.98571048 20.12174049 -923 2.29479896 2.93818698 19.80684889 -924 2.29717944 2.89140696 19.49707291 -925 2.29955991 2.84535836 19.19232505 -926 2.30194039 2.80002930 18.89251941 -927 2.30432086 2.75540812 18.59757161 -928 2.30670134 2.71148336 18.30739882 -929 2.30908182 2.66824375 18.02191969 -930 2.31146229 2.62567820 17.74105433 -931 2.31384277 2.58377584 17.46472428 -932 2.31622324 2.54252595 17.19285251 -933 2.31860372 2.50191801 16.92536336 -934 2.32098420 2.46194168 16.66218251 -935 2.32336467 2.42258679 16.40323700 -936 2.32574515 2.38384335 16.14845515 -937 2.32812563 2.34570152 15.89776656 -938 2.33050610 2.30815165 15.65110211 -939 2.33288658 2.27118424 15.40839389 -940 2.33526705 2.23478994 15.16957521 -941 2.33764753 2.19895958 14.93458055 -942 2.34002801 2.16368413 14.70334558 -943 2.34240848 2.12895472 14.47580709 -944 2.34478896 2.09476262 14.25190301 -945 2.34716943 2.06109926 14.03157236 -946 2.34954991 2.02795619 13.81475522 -947 2.35193039 1.99532513 13.60139277 -948 2.35431086 1.96319791 13.39142720 -949 2.35669134 1.93156653 13.18480173 -950 2.35907181 1.90042310 12.98146057 -951 2.36145229 1.86975985 12.78134893 -952 2.36383277 1.83956918 12.58441298 -953 2.36621324 1.80984359 12.39059983 -954 2.36859372 1.78057569 12.19985751 -955 2.37097419 1.75175825 12.01213499 -956 2.37335467 1.72338414 11.82738210 -957 2.37573515 1.69544634 11.64554958 -958 2.37811562 1.66793795 11.46658901 -959 2.38049610 1.64085221 11.29045283 -960 2.38287658 1.61418244 11.11709430 -961 2.38525705 1.58792209 10.94646750 -962 2.38763753 1.56206470 10.77852731 -963 2.39001800 1.53660394 10.61322939 -964 2.39239848 1.51153356 10.45053019 -965 2.39477896 1.48684744 10.29038689 -966 2.39715943 1.46253953 10.13275743 -967 2.39953991 1.43860390 9.97760047 -968 2.40192038 1.41503472 9.82487541 -969 2.40430086 1.39182624 9.67454231 -970 2.40668134 1.36897282 9.52656197 -971 2.40906181 1.34646890 9.38089582 -972 2.41144229 1.32430902 9.23750600 -973 2.41382276 1.30248780 9.09635526 -974 2.41620324 1.28099996 8.95740703 -975 2.41858372 1.25984029 8.82062534 -976 2.42096419 1.23900369 8.68597485 -977 2.42334467 1.21848512 8.55342084 -978 2.42572515 1.19827963 8.42292917 -979 2.42810562 1.17838235 8.29446627 -980 2.43048610 1.15878849 8.16799919 -981 2.43286657 1.13949333 8.04349550 -982 2.43524705 1.12049226 7.92092336 -983 2.43762753 1.10178069 7.80025143 -984 2.44000800 1.08335415 7.68144895 -985 2.44238848 1.06520822 7.56448566 -986 2.44476895 1.04733856 7.44933182 -987 2.44714943 1.02974089 7.33595820 -988 2.44952991 1.01241102 7.22433605 -989 2.45191038 0.99534481 7.11443714 -990 2.45429086 0.97853818 7.00623370 -991 2.45667133 0.96198714 6.89969841 -992 2.45905181 0.94568774 6.79480446 -993 2.46143229 0.92963612 6.69152546 -994 2.46381276 0.91382845 6.58983546 -995 2.46619324 0.89826099 6.48970899 -996 2.46857371 0.88293004 6.39112096 -997 2.47095419 0.86783196 6.29404673 -998 2.47333467 0.85296320 6.19846207 -999 2.47571514 0.83832022 6.10434317 -1000 2.47809562 0.82389957 6.01166660 -1001 2.48047610 0.80969784 5.92040933 -1002 2.48285657 0.79571167 5.83054872 -1003 2.48523705 0.78193778 5.74206252 -1004 2.48761752 0.76837292 5.65492882 -1005 2.48999800 0.75501388 5.56912612 -1006 2.49237848 0.74185753 5.48463324 -1007 2.49475895 0.72890078 5.40142938 -1008 2.49713943 0.71614058 5.31949408 -1009 2.49951990 0.70357393 5.23880722 -1010 2.50190038 0.69119789 5.15934901 -1011 2.50428086 0.67900956 5.08109999 -1012 2.50666133 0.66700608 5.00404104 -1013 2.50904181 0.65518463 4.92815334 -1014 2.51142228 0.64354246 4.85341839 -1015 2.51380276 0.63207684 4.77981800 -1016 2.51618324 0.62078509 4.70733427 -1017 2.51856371 0.60966457 4.63594960 -1018 2.52094419 0.59871269 4.56564669 -1019 2.52332466 0.58792690 4.49640853 -1020 2.52570514 0.57730468 4.42821836 -1021 2.52808562 0.56684355 4.36105974 -1022 2.53046609 0.55654107 4.29491646 -1023 2.53284657 0.54639486 4.22977260 -1024 2.53522705 0.53640255 4.16561251 -1025 2.53760752 0.52656181 4.10242078 -1026 2.53998800 0.51687036 4.04018225 -1027 2.54236847 0.50732595 3.97888202 -1028 2.54474895 0.49792636 3.91850544 -1029 2.54712943 0.48866941 3.85903808 -1030 2.54950990 0.47955296 3.80046577 -1031 2.55189038 0.47057488 3.74277455 -1032 2.55427085 0.46173310 3.68595071 -1033 2.55665133 0.45302557 3.62998074 -1034 2.55903181 0.44445027 3.57485136 -1035 2.56141228 0.43600521 3.52054952 -1036 2.56379276 0.42768845 3.46706236 -1037 2.56617323 0.41949806 3.41437725 -1038 2.56855371 0.41143214 3.36248175 -1039 2.57093419 0.40348883 3.31136363 -1040 2.57331466 0.39566629 3.26101086 -1041 2.57569514 0.38796271 3.21141159 -1042 2.57807562 0.38037632 3.16255418 -1043 2.58045609 0.37290536 3.11442718 -1044 2.58283657 0.36554811 3.06701931 -1045 2.58521704 0.35830287 3.02031947 -1046 2.58759752 0.35116796 2.97431676 -1047 2.58997800 0.34414174 2.92900045 -1048 2.59235847 0.33722260 2.88435997 -1049 2.59473895 0.33040892 2.84038492 -1050 2.59711942 0.32369914 2.79706509 -1051 2.59949990 0.31709171 2.75439041 -1052 2.60188038 0.31058511 2.71235099 -1053 2.60426085 0.30417784 2.67093708 -1054 2.60664133 0.29786842 2.63013910 -1055 2.60902180 0.29165539 2.58994762 -1056 2.61140228 0.28553733 2.55035336 -1057 2.61378276 0.27951282 2.51134719 -1058 2.61616323 0.27358047 2.47292013 -1059 2.61854371 0.26773891 2.43506334 -1060 2.62092418 0.26198680 2.39776811 -1061 2.62330466 0.25632281 2.36102589 -1062 2.62568514 0.25074564 2.32482824 -1063 2.62806561 0.24525399 2.28916689 -1064 2.63044609 0.23984660 2.25403366 -1065 2.63282657 0.23452223 2.21942054 -1066 2.63520704 0.22927964 2.18531961 -1067 2.63758752 0.22411763 2.15172311 -1068 2.63996799 0.21903500 2.11862339 -1069 2.64234847 0.21403058 2.08601290 -1070 2.64472895 0.20910321 2.05388424 -1071 2.64710942 0.20425175 2.02223011 -1072 2.64948990 0.19947510 1.99104333 -1073 2.65187037 0.19477213 1.96031685 -1074 2.65425085 0.19014176 1.93004369 -1075 2.65663133 0.18558293 1.90021702 -1076 2.65901180 0.18109457 1.87083011 -1077 2.66139228 0.17667565 1.84187631 -1078 2.66377275 0.17232515 1.81334910 -1079 2.66615323 0.16804205 1.78524206 -1080 2.66853371 0.16382537 1.75754887 -1081 2.67091418 0.15967412 1.73026329 -1082 2.67329466 0.15558735 1.70337922 -1083 2.67567514 0.15156410 1.67689060 -1084 2.67805561 0.14760344 1.65079151 -1085 2.68043609 0.14370446 1.62507611 -1086 2.68281656 0.13986623 1.59973864 -1087 2.68519704 0.13608788 1.57477344 -1088 2.68757752 0.13236852 1.55017494 -1089 2.68995799 0.12870729 1.52593765 -1090 2.69233847 0.12510332 1.50205617 -1091 2.69471894 0.12155579 1.47852518 -1092 2.69709942 0.11806386 1.45533945 -1093 2.69947990 0.11462672 1.43249383 -1094 2.70186037 0.11124356 1.40998324 -1095 2.70424085 0.10791359 1.38780269 -1096 2.70662132 0.10463604 1.36594726 -1097 2.70900180 0.10141013 1.34441211 -1098 2.71138228 0.09823511 1.32319248 -1099 2.71376275 0.09511023 1.30228367 -1100 2.71614323 0.09203475 1.28168107 -1101 2.71852370 0.08900797 1.26138013 -1102 2.72090418 0.08602915 1.24137637 -1103 2.72328466 0.08309760 1.22166538 -1104 2.72566513 0.08021263 1.20224282 -1105 2.72804561 0.07737355 1.18310442 -1106 2.73042609 0.07457970 1.16424597 -1107 2.73280656 0.07183041 1.14566333 -1108 2.73518704 0.06912504 1.12735242 -1109 2.73756751 0.06646293 1.10930922 -1110 2.73994799 0.06384346 1.09152978 -1111 2.74232847 0.06126600 1.07401020 -1112 2.74470894 0.05872995 1.05674665 -1113 2.74708942 0.05623468 1.03973535 -1114 2.74946989 0.05377962 1.02297258 -1115 2.75185037 0.05136417 1.00645469 -1116 2.75423085 0.04898775 0.99017806 -1117 2.75661132 0.04664979 0.97413915 -1118 2.75899180 0.04434973 0.95833447 -1119 2.76137227 0.04208702 0.94276056 -1120 2.76375275 0.03986111 0.92741404 -1121 2.76613323 0.03767147 0.91229158 -1122 2.76851370 0.03551756 0.89738987 -1123 2.77089418 0.03339886 0.88270569 -1124 2.77327465 0.03131487 0.86823584 -1125 2.77565513 0.02926507 0.85397720 -1126 2.77803561 0.02724896 0.83992665 -1127 2.78041608 0.02526605 0.82608116 -1128 2.78279656 0.02331587 0.81243774 -1129 2.78517704 0.02139792 0.79899341 -1130 2.78755751 0.01951174 0.78574528 -1131 2.78993799 0.01765687 0.77269048 -1132 2.79231846 0.01583285 0.75982619 -1133 2.79469894 0.01403922 0.74714962 -1134 2.79707942 0.01227556 0.73465805 -1135 2.79945989 0.01054141 0.72234877 -1136 2.80184037 0.00883635 0.71021913 -1137 2.80422084 0.00715995 0.69826651 -1138 2.80660132 0.00551180 0.68648834 -1139 2.80898180 0.00389147 0.67488208 -1140 2.81136227 0.00229858 0.66344523 -1141 2.81374275 0.00073271 0.65217533 -1142 2.81612322 -0.00080653 0.64106995 -1143 2.81850370 -0.00231952 0.63012671 -1144 2.82088418 -0.00380666 0.61934324 -1145 2.82326465 -0.00526831 0.60871725 -1146 2.82564513 -0.00670485 0.59824643 -1147 2.82802561 -0.00811665 0.58792855 -1148 2.83040608 -0.00950407 0.57776138 -1149 2.83278656 -0.01086747 0.56774275 -1150 2.83516703 -0.01220719 0.55787051 -1151 2.83754751 -0.01352358 0.54814253 -1152 2.83992799 -0.01481698 0.53855674 -1153 2.84230846 -0.01608773 0.52911108 -1154 2.84468894 -0.01733616 0.51980352 -1155 2.84706941 -0.01856260 0.51063207 -1156 2.84944989 -0.01976736 0.50159477 -1157 2.85183037 -0.02095077 0.49268967 -1158 2.85421084 -0.02211314 0.48391488 -1159 2.85659132 -0.02325477 0.47526852 -1160 2.85897179 -0.02437597 0.46674874 -1161 2.86135227 -0.02547704 0.45835370 -1162 2.86373275 -0.02655827 0.45008162 -1163 2.86611322 -0.02761995 0.44193073 -1164 2.86849370 -0.02866237 0.43389929 -1165 2.87087417 -0.02968582 0.42598557 -1166 2.87325465 -0.03069056 0.41818788 -1167 2.87563513 -0.03167688 0.41050457 -1168 2.87801560 -0.03264504 0.40293397 -1169 2.88039608 -0.03359532 0.39547449 -1170 2.88277656 -0.03452796 0.38812451 -1171 2.88515703 -0.03544324 0.38088248 -1172 2.88753751 -0.03634141 0.37374684 -1173 2.88991798 -0.03722272 0.36671607 -1174 2.89229846 -0.03808741 0.35978867 -1175 2.89467894 -0.03893574 0.35296315 -1176 2.89705941 -0.03976793 0.34623806 -1177 2.89943989 -0.04058424 0.33961195 -1178 2.90182036 -0.04138489 0.33308342 -1179 2.90420084 -0.04217011 0.32665107 -1180 2.90658132 -0.04294013 0.32031351 -1181 2.90896179 -0.04369518 0.31406941 -1182 2.91134227 -0.04443547 0.30791741 -1183 2.91372274 -0.04516123 0.30185621 -1184 2.91610322 -0.04587267 0.29588451 -1185 2.91848370 -0.04656999 0.29000103 -1186 2.92086417 -0.04725342 0.28420452 -1187 2.92324465 -0.04792315 0.27849372 -1188 2.92562513 -0.04857938 0.27286743 -1189 2.92800560 -0.04922232 0.26732443 -1190 2.93038608 -0.04985216 0.26186354 -1191 2.93276655 -0.05046911 0.25648358 -1192 2.93514703 -0.05107333 0.25118341 -1193 2.93752751 -0.05166504 0.24596189 -1194 2.93990798 -0.05224441 0.24081790 -1195 2.94228846 -0.05281162 0.23575033 -1196 2.94466893 -0.05336686 0.23075810 -1197 2.94704941 -0.05391031 0.22584014 -1198 2.94942989 -0.05444214 0.22099538 -1199 2.95181036 -0.05496252 0.21622280 -1200 2.95419084 -0.05547162 0.21152136 -1201 2.95657131 -0.05596961 0.20689006 -1202 2.95895179 -0.05645667 0.20232789 -1203 2.96133227 -0.05693294 0.19783387 -1204 2.96371274 -0.05739860 0.19340705 -1205 2.96609322 -0.05785380 0.18904645 -1206 2.96847369 -0.05829869 0.18475115 -1207 2.97085417 -0.05873344 0.18052022 -1208 2.97323465 -0.05915819 0.17635274 -1209 2.97561512 -0.05957310 0.17224781 -1210 2.97799560 -0.05997830 0.16820455 -1211 2.98037608 -0.06037396 0.16422209 -1212 2.98275655 -0.06076020 0.16029955 -1213 2.98513703 -0.06113718 0.15643610 -1214 2.98751750 -0.06150503 0.15263089 -1215 2.98989798 -0.06186390 0.14888310 -1216 2.99227846 -0.06221390 0.14519191 -1217 2.99465893 -0.06255519 0.14155653 -1218 2.99703941 -0.06288789 0.13797617 -1219 2.99941988 -0.06321213 0.13445004 -1220 3.00180036 -0.06352805 0.13097738 -1221 3.00418084 -0.06383575 0.12755743 -1222 3.00656131 -0.06413538 0.12418945 -1223 3.00894179 -0.06442705 0.12087270 -1224 3.01132226 -0.06471089 0.11760645 -1225 3.01370274 -0.06498701 0.11438999 -1226 3.01608322 -0.06525553 0.11122263 -1227 3.01846369 -0.06551658 0.10810365 -1228 3.02084417 -0.06577025 0.10503239 -1229 3.02322464 -0.06601667 0.10200816 -1230 3.02560512 -0.06625594 0.09903030 -1231 3.02798560 -0.06648818 0.09609815 -1232 3.03036607 -0.06671350 0.09321108 -1233 3.03274655 -0.06693199 0.09036843 -1234 3.03512703 -0.06714377 0.08756959 -1235 3.03750750 -0.06734894 0.08481394 -1236 3.03988798 -0.06754760 0.08210086 -1237 3.04226845 -0.06773985 0.07942975 -1238 3.04464893 -0.06792579 0.07680003 -1239 3.04702941 -0.06810552 0.07421110 -1240 3.04940988 -0.06827914 0.07166239 -1241 3.05179036 -0.06844674 0.06915334 -1242 3.05417083 -0.06860841 0.06668337 -1243 3.05655131 -0.06876424 0.06425195 -1244 3.05893179 -0.06891434 0.06185852 -1245 3.06131226 -0.06905878 0.05950255 -1246 3.06369274 -0.06919766 0.05718352 -1247 3.06607321 -0.06933106 0.05490089 -1248 3.06845369 -0.06945907 0.05265416 -1249 3.07083417 -0.06958177 0.05044281 -1250 3.07321464 -0.06969925 0.04826635 -1251 3.07559512 -0.06981159 0.04612429 -1252 3.07797560 -0.06991887 0.04401614 -1253 3.08035607 -0.07002117 0.04194142 -1254 3.08273655 -0.07011858 0.03989966 -1255 3.08511702 -0.07021116 0.03789040 -1256 3.08749750 -0.07029900 0.03591317 -1257 3.08987798 -0.07038217 0.03396752 -1258 3.09225845 -0.07046074 0.03205300 -1259 3.09463893 -0.07053479 0.03016919 -1260 3.09701940 -0.07060440 0.02831563 -1261 3.09939988 -0.07066963 0.02649191 -1262 3.10178036 -0.07073055 0.02469761 -1263 3.10416083 -0.07078723 0.02293230 -1264 3.10654131 -0.07083975 0.02119558 -1265 3.10892178 -0.07088817 0.01948705 -1266 3.11130226 -0.07093255 0.01780630 -1267 3.11368274 -0.07097296 0.01615295 -1268 3.11606321 -0.07100948 0.01452660 -1269 3.11844369 -0.07104215 0.01292687 -1270 3.12082416 -0.07107104 0.01135339 -1271 3.12320464 -0.07109622 0.00980579 -1272 3.12558512 -0.07111775 0.00828370 -1273 3.12796559 -0.07113568 0.00678676 -1274 3.13034607 -0.07115008 0.00531461 -1275 3.13272655 -0.07116100 0.00386690 -1276 3.13510702 -0.07116851 0.00244329 -1277 3.13748750 -0.07117265 0.00104343 -1278 3.13986797 -0.07117349 -0.00033301 -1279 3.14224845 -0.07117108 -0.00168636 -1280 3.14462893 -0.07116548 -0.00301695 -1281 3.14700940 -0.07115674 -0.00432510 -1282 3.14938988 -0.07114491 -0.00561114 -1283 3.15177035 -0.07113004 -0.00687537 -1284 3.15415083 -0.07111219 -0.00811810 -1285 3.15653131 -0.07109141 -0.00933964 -1286 3.15891178 -0.07106774 -0.01054030 -1287 3.16129226 -0.07104124 -0.01172035 -1288 3.16367273 -0.07101196 -0.01288011 -1289 3.16605321 -0.07097994 -0.01401985 -1290 3.16843369 -0.07094523 -0.01513987 -1291 3.17081416 -0.07090787 -0.01624043 -1292 3.17319464 -0.07086792 -0.01732183 -1293 3.17557512 -0.07082542 -0.01838432 -1294 3.17795559 -0.07078041 -0.01942819 -1295 3.18033607 -0.07073294 -0.02045368 -1296 3.18271654 -0.07068304 -0.02146108 -1297 3.18509702 -0.07063078 -0.02245063 -1298 3.18747750 -0.07057617 -0.02342258 -1299 3.18985797 -0.07051928 -0.02437720 -1300 3.19223845 -0.07046013 -0.02531472 -1301 3.19461892 -0.07039877 -0.02623539 -1302 3.19699940 -0.07033523 -0.02713946 -1303 3.19937988 -0.07026957 -0.02802715 -1304 3.20176035 -0.07020181 -0.02889870 -1305 3.20414083 -0.07013200 -0.02975434 -1306 3.20652130 -0.07006016 -0.03059431 -1307 3.20890178 -0.06998635 -0.03141881 -1308 3.21128226 -0.06991059 -0.03222809 -1309 3.21366273 -0.06983293 -0.03302234 -1310 3.21604321 -0.06975339 -0.03380179 -1311 3.21842368 -0.06967201 -0.03456666 -1312 3.22080416 -0.06958883 -0.03531714 -1313 3.22318464 -0.06950388 -0.03605345 -1314 3.22556511 -0.06941719 -0.03677579 -1315 3.22794559 -0.06932880 -0.03748436 -1316 3.23032607 -0.06923874 -0.03817935 -1317 3.23270654 -0.06914704 -0.03886097 -1318 3.23508702 -0.06905374 -0.03952940 -1319 3.23746749 -0.06895885 -0.04018484 -1320 3.23984797 -0.06886243 -0.04082748 -1321 3.24222845 -0.06876449 -0.04145748 -1322 3.24460892 -0.06866506 -0.04207505 -1323 3.24698940 -0.06856418 -0.04268036 -1324 3.24936987 -0.06846187 -0.04327358 -1325 3.25175035 -0.06835817 -0.04385489 -1326 3.25413083 -0.06825309 -0.04442447 -1327 3.25651130 -0.06814667 -0.04498247 -1328 3.25889178 -0.06803894 -0.04552908 -1329 3.26127225 -0.06792992 -0.04606445 -1330 3.26365273 -0.06781964 -0.04658875 -1331 3.26603321 -0.06770812 -0.04710214 -1332 3.26841368 -0.06759539 -0.04760478 -1333 3.27079416 -0.06748148 -0.04809682 -1334 3.27317463 -0.06736642 -0.04857842 -1335 3.27555511 -0.06725021 -0.04904972 -1336 3.27793559 -0.06713290 -0.04951089 -1337 3.28031606 -0.06701450 -0.04996207 -1338 3.28269654 -0.06689504 -0.05040340 -1339 3.28507702 -0.06677454 -0.05083502 -1340 3.28745749 -0.06665303 -0.05125709 -1341 3.28983797 -0.06653052 -0.05166973 -1342 3.29221844 -0.06640704 -0.05207309 -1343 3.29459892 -0.06628261 -0.05246731 -1344 3.29697940 -0.06615725 -0.05285251 -1345 3.29935987 -0.06603099 -0.05322883 -1346 3.30174035 -0.06590384 -0.05359640 -1347 3.30412082 -0.06577582 -0.05395536 -1348 3.30650130 -0.06564696 -0.05430581 -1349 3.30888178 -0.06551728 -0.05464790 -1350 3.31126225 -0.06538679 -0.05498175 -1351 3.31364273 -0.06525552 -0.05530747 -1352 3.31602320 -0.06512348 -0.05562519 -1353 3.31840368 -0.06499070 -0.05593502 -1354 3.32078416 -0.06485719 -0.05623709 -1355 3.32316463 -0.06472296 -0.05653150 -1356 3.32554511 -0.06458805 -0.05681838 -1357 3.32792559 -0.06445246 -0.05709783 -1358 3.33030606 -0.06431621 -0.05736996 -1359 3.33268654 -0.06417933 -0.05763489 -1360 3.33506701 -0.06404182 -0.05789272 -1361 3.33744749 -0.06390371 -0.05814356 -1362 3.33982797 -0.06376501 -0.05838750 -1363 3.34220844 -0.06362574 -0.05862467 -1364 3.34458892 -0.06348591 -0.05885514 -1365 3.34696939 -0.06334554 -0.05907904 -1366 3.34934987 -0.06320464 -0.05929645 -1367 3.35173035 -0.06306323 -0.05950748 -1368 3.35411082 -0.06292133 -0.05971222 -1369 3.35649130 -0.06277895 -0.05991076 -1370 3.35887177 -0.06263610 -0.06010320 -1371 3.36125225 -0.06249281 -0.06028964 -1372 3.36363273 -0.06234907 -0.06047015 -1373 3.36601320 -0.06220492 -0.06064484 -1374 3.36839368 -0.06206035 -0.06081379 -1375 3.37077415 -0.06191539 -0.06097709 -1376 3.37315463 -0.06177005 -0.06113482 -1377 3.37553511 -0.06162433 -0.06128708 -1378 3.37791558 -0.06147827 -0.06143393 -1379 3.38029606 -0.06133185 -0.06157548 -1380 3.38267654 -0.06118511 -0.06171179 -1381 3.38505701 -0.06103805 -0.06184295 -1382 3.38743749 -0.06089068 -0.06196904 -1383 3.38981796 -0.06074302 -0.06209014 -1384 3.39219844 -0.06059508 -0.06220632 -1385 3.39457892 -0.06044687 -0.06231765 -1386 3.39695939 -0.06029839 -0.06242423 -1387 3.39933987 -0.06014967 -0.06252611 -1388 3.40172034 -0.06000071 -0.06262338 -1389 3.40410082 -0.05985153 -0.06271610 -1390 3.40648130 -0.05970213 -0.06280434 -1391 3.40886177 -0.05955252 -0.06288818 -1392 3.41124225 -0.05940272 -0.06296769 -1393 3.41362272 -0.05925274 -0.06304293 -1394 3.41600320 -0.05910258 -0.06311396 -1395 3.41838368 -0.05895226 -0.06318087 -1396 3.42076415 -0.05880178 -0.06324370 -1397 3.42314463 -0.05865116 -0.06330254 -1398 3.42552511 -0.05850041 -0.06335743 -1399 3.42790558 -0.05834952 -0.06340844 -1400 3.43028606 -0.05819853 -0.06345564 -1401 3.43266653 -0.05804742 -0.06349908 -1402 3.43504701 -0.05789621 -0.06353883 -1403 3.43742749 -0.05774492 -0.06357495 -1404 3.43980796 -0.05759354 -0.06360749 -1405 3.44218844 -0.05744209 -0.06363651 -1406 3.44456891 -0.05729057 -0.06366206 -1407 3.44694939 -0.05713900 -0.06368422 -1408 3.44932987 -0.05698738 -0.06370302 -1409 3.45171034 -0.05683571 -0.06371852 -1410 3.45409082 -0.05668402 -0.06373079 -1411 3.45647129 -0.05653230 -0.06373986 -1412 3.45885177 -0.05638056 -0.06374580 -1413 3.46123225 -0.05622881 -0.06374865 -1414 3.46361272 -0.05607706 -0.06374848 -1415 3.46599320 -0.05592531 -0.06374531 -1416 3.46837367 -0.05577357 -0.06373921 -1417 3.47075415 -0.05562185 -0.06373023 -1418 3.47313463 -0.05547015 -0.06371841 -1419 3.47551510 -0.05531849 -0.06370380 -1420 3.47789558 -0.05516687 -0.06368645 -1421 3.48027606 -0.05501529 -0.06366641 -1422 3.48265653 -0.05486376 -0.06364371 -1423 3.48503701 -0.05471228 -0.06361840 -1424 3.48741748 -0.05456087 -0.06359054 -1425 3.48979796 -0.05440953 -0.06356015 -1426 3.49217844 -0.05425827 -0.06352729 -1427 3.49455891 -0.05410708 -0.06349200 -1428 3.49693939 -0.05395599 -0.06345432 -1429 3.49931986 -0.05380498 -0.06341429 -1430 3.50170034 -0.05365408 -0.06337195 -1431 3.50408082 -0.05350327 -0.06332734 -1432 3.50646129 -0.05335258 -0.06328051 -1433 3.50884177 -0.05320200 -0.06323148 -1434 3.51122224 -0.05305154 -0.06318031 -1435 3.51360272 -0.05290120 -0.06312702 -1436 3.51598320 -0.05275100 -0.06307165 -1437 3.51836367 -0.05260092 -0.06301425 -1438 3.52074415 -0.05245099 -0.06295484 -1439 3.52312462 -0.05230120 -0.06289347 -1440 3.52550510 -0.05215156 -0.06283017 -1441 3.52788558 -0.05200207 -0.06276497 -1442 3.53026605 -0.05185274 -0.06269791 -1443 3.53264653 -0.05170357 -0.06262902 -1444 3.53502701 -0.05155457 -0.06255834 -1445 3.53740748 -0.05140574 -0.06248589 -1446 3.53978796 -0.05125708 -0.06241172 -1447 3.54216843 -0.05110860 -0.06233585 -1448 3.54454891 -0.05096030 -0.06225832 -1449 3.54692939 -0.05081219 -0.06217915 -1450 3.54930986 -0.05066427 -0.06209838 -1451 3.55169034 -0.05051654 -0.06201603 -1452 3.55407081 -0.05036902 -0.06193215 -1453 3.55645129 -0.05022169 -0.06184675 -1454 3.55883177 -0.05007457 -0.06175986 -1455 3.56121224 -0.04992765 -0.06167152 -1456 3.56359272 -0.04978095 -0.06158176 -1457 3.56597319 -0.04963447 -0.06149059 -1458 3.56835367 -0.04948820 -0.06139805 -1459 3.57073415 -0.04934216 -0.06130416 -1460 3.57311462 -0.04919634 -0.06120896 -1461 3.57549510 -0.04905074 -0.06111246 -1462 3.57787558 -0.04890538 -0.06101470 -1463 3.58025605 -0.04876026 -0.06091570 -1464 3.58263653 -0.04861537 -0.06081548 -1465 3.58501700 -0.04847072 -0.06071407 -1466 3.58739748 -0.04832631 -0.06061149 -1467 3.58977796 -0.04818215 -0.06050777 -1468 3.59215843 -0.04803824 -0.06040294 -1469 3.59453891 -0.04789458 -0.06029701 -1470 3.59691938 -0.04775117 -0.06019000 -1471 3.59929986 -0.04760801 -0.06008195 -1472 3.60168034 -0.04746512 -0.05997287 -1473 3.60406081 -0.04732249 -0.05986279 -1474 3.60644129 -0.04718012 -0.05975172 -1475 3.60882176 -0.04703801 -0.05963969 -1476 3.61120224 -0.04689618 -0.05952672 -1477 3.61358272 -0.04675461 -0.05941284 -1478 3.61596319 -0.04661332 -0.05929805 -1479 3.61834367 -0.04647230 -0.05918238 -1480 3.62072414 -0.04633155 -0.05906586 -1481 3.62310462 -0.04619109 -0.05894850 -1482 3.62548510 -0.04605090 -0.05883032 -1483 3.62786557 -0.04591100 -0.05871134 -1484 3.63024605 -0.04577138 -0.05859158 -1485 3.63262653 -0.04563205 -0.05847105 -1486 3.63500700 -0.04549300 -0.05834978 -1487 3.63738748 -0.04535425 -0.05822779 -1488 3.63976795 -0.04521578 -0.05810509 -1489 3.64214843 -0.04507761 -0.05798169 -1490 3.64452891 -0.04493974 -0.05785762 -1491 3.64690938 -0.04480216 -0.05773290 -1492 3.64928986 -0.04466487 -0.05760753 -1493 3.65167033 -0.04452789 -0.05748154 -1494 3.65405081 -0.04439121 -0.05735495 -1495 3.65643129 -0.04425483 -0.05722776 -1496 3.65881176 -0.04411875 -0.05710000 -1497 3.66119224 -0.04398298 -0.05697168 -1498 3.66357271 -0.04384751 -0.05684281 -1499 3.66595319 -0.04371235 -0.05671342 -1500 3.66833367 -0.04357750 -0.05658351 -1501 3.67071414 -0.04344296 -0.05645310 -1502 3.67309462 -0.04330873 -0.05632221 -1503 3.67547510 -0.04317481 -0.05619084 -1504 3.67785557 -0.04304121 -0.05605902 -1505 3.68023605 -0.04290792 -0.05592676 -1506 3.68261652 -0.04277494 -0.05579406 -1507 3.68499700 -0.04264229 -0.05566095 -1508 3.68737748 -0.04250995 -0.05552744 -1509 3.68975795 -0.04237792 -0.05539354 -1510 3.69213843 -0.04224622 -0.05525926 -1511 3.69451890 -0.04211484 -0.05512461 -1512 3.69689938 -0.04198377 -0.05498961 -1513 3.69927986 -0.04185303 -0.05485428 -1514 3.70166033 -0.04172262 -0.05471862 -1515 3.70404081 -0.04159252 -0.05458264 -1516 3.70642128 -0.04146275 -0.05444635 -1517 3.70880176 -0.04133331 -0.05430978 -1518 3.71118224 -0.04120419 -0.05417292 -1519 3.71356271 -0.04107539 -0.05403579 -1520 3.71594319 -0.04094692 -0.05389841 -1521 3.71832366 -0.04081878 -0.05376077 -1522 3.72070414 -0.04069097 -0.05362290 -1523 3.72308462 -0.04056349 -0.05348480 -1524 3.72546509 -0.04043633 -0.05334648 -1525 3.72784557 -0.04030951 -0.05320796 -1526 3.73022605 -0.04018301 -0.05306924 -1527 3.73260652 -0.04005685 -0.05293034 -1528 3.73498700 -0.03993101 -0.05279126 -1529 3.73736747 -0.03980551 -0.05265201 -1530 3.73974795 -0.03968034 -0.05251260 -1531 3.74212843 -0.03955550 -0.05237304 -1532 3.74450890 -0.03943099 -0.05223335 -1533 3.74688938 -0.03930682 -0.05209352 -1534 3.74926985 -0.03918298 -0.05195358 -1535 3.75165033 -0.03905947 -0.05181352 -1536 3.75403081 -0.03893630 -0.05167335 -1537 3.75641128 -0.03881346 -0.05153309 -1538 3.75879176 -0.03869095 -0.05139274 -1539 3.76117223 -0.03856878 -0.05125232 -1540 3.76355271 -0.03844694 -0.05111182 -1541 3.76593319 -0.03832544 -0.05097125 -1542 3.76831366 -0.03820427 -0.05083064 -1543 3.77069414 -0.03808344 -0.05068997 -1544 3.77307461 -0.03796294 -0.05054926 -1545 3.77545509 -0.03784277 -0.05040852 -1546 3.77783557 -0.03772295 -0.05026776 -1547 3.78021604 -0.03760345 -0.05012697 -1548 3.78259652 -0.03748429 -0.04998617 -1549 3.78497700 -0.03736547 -0.04984537 -1550 3.78735747 -0.03724698 -0.04970457 -1551 3.78973795 -0.03712883 -0.04956378 -1552 3.79211842 -0.03701101 -0.04942301 -1553 3.79449890 -0.03689353 -0.04928226 -1554 3.79687938 -0.03677638 -0.04914153 -1555 3.79925985 -0.03665957 -0.04900084 -1556 3.80164033 -0.03654309 -0.04886019 -1557 3.80402080 -0.03642695 -0.04871959 -1558 3.80640128 -0.03631114 -0.04857904 -1559 3.80878176 -0.03619566 -0.04843855 -1560 3.81116223 -0.03608052 -0.04829812 -1561 3.81354271 -0.03596572 -0.04815777 -1562 3.81592318 -0.03585125 -0.04801749 -1563 3.81830366 -0.03573711 -0.04787729 -1564 3.82068414 -0.03562331 -0.04773718 -1565 3.82306461 -0.03550984 -0.04759716 -1566 3.82544509 -0.03539670 -0.04745723 -1567 3.82782557 -0.03528389 -0.04731741 -1568 3.83020604 -0.03517142 -0.04717770 -1569 3.83258652 -0.03505928 -0.04703809 -1570 3.83496699 -0.03494748 -0.04689861 -1571 3.83734747 -0.03483600 -0.04675925 -1572 3.83972795 -0.03472486 -0.04662001 -1573 3.84210842 -0.03461405 -0.04648090 -1574 3.84448890 -0.03450356 -0.04634193 -1575 3.84686937 -0.03439341 -0.04620311 -1576 3.84924985 -0.03428359 -0.04606442 -1577 3.85163033 -0.03417410 -0.04592588 -1578 3.85401080 -0.03406494 -0.04578750 -1579 3.85639128 -0.03395611 -0.04564927 -1580 3.85877175 -0.03384761 -0.04551121 -1581 3.86115223 -0.03373943 -0.04537331 -1582 3.86353271 -0.03363159 -0.04523557 -1583 3.86591318 -0.03352407 -0.04509802 -1584 3.86829366 -0.03341688 -0.04496063 -1585 3.87067413 -0.03331001 -0.04482343 -1586 3.87305461 -0.03320348 -0.04468641 -1587 3.87543509 -0.03309726 -0.04454958 -1588 3.87781556 -0.03299138 -0.04441294 -1589 3.88019604 -0.03288582 -0.04427650 -1590 3.88257652 -0.03278058 -0.04414025 -1591 3.88495699 -0.03267567 -0.04400420 -1592 3.88733747 -0.03257108 -0.04386836 -1593 3.88971794 -0.03246681 -0.04373273 -1594 3.89209842 -0.03236287 -0.04359730 -1595 3.89447890 -0.03225925 -0.04346209 -1596 3.89685937 -0.03215595 -0.04332710 -1597 3.89923985 -0.03205297 -0.04319232 -1598 3.90162032 -0.03195031 -0.04305777 -1599 3.90400080 -0.03184797 -0.04292344 -1600 3.90638128 -0.03174595 -0.04278934 -1601 3.90876175 -0.03164425 -0.04265547 -1602 3.91114223 -0.03154287 -0.04252184 -1603 3.91352270 -0.03144181 -0.04238844 -1604 3.91590318 -0.03134106 -0.04225528 -1605 3.91828366 -0.03124063 -0.04212235 -1606 3.92066413 -0.03114052 -0.04198968 -1607 3.92304461 -0.03104072 -0.04185724 -1608 3.92542509 -0.03094124 -0.04172506 -1609 3.92780556 -0.03084207 -0.04159313 -1610 3.93018604 -0.03074322 -0.04146144 -1611 3.93256651 -0.03064467 -0.04133002 -1612 3.93494699 -0.03054645 -0.04119885 -1613 3.93732747 -0.03044853 -0.04106794 -1614 3.93970794 -0.03035092 -0.04093729 -1615 3.94208842 -0.03025363 -0.04080690 -1616 3.94446889 -0.03015664 -0.04067678 -1617 3.94684937 -0.03005997 -0.04054692 -1618 3.94922985 -0.02996360 -0.04041733 -1619 3.95161032 -0.02986754 -0.04028801 -1620 3.95399080 -0.02977179 -0.04015897 -1621 3.95637127 -0.02967635 -0.04003020 -1622 3.95875175 -0.02958121 -0.03990170 -1623 3.96113223 -0.02948638 -0.03977348 -1624 3.96351270 -0.02939185 -0.03964554 -1625 3.96589318 -0.02929763 -0.03951788 -1626 3.96827365 -0.02920371 -0.03939051 -1627 3.97065413 -0.02911009 -0.03926341 -1628 3.97303461 -0.02901677 -0.03913660 -1629 3.97541508 -0.02892376 -0.03901008 -1630 3.97779556 -0.02883105 -0.03888384 -1631 3.98017604 -0.02873864 -0.03875790 -1632 3.98255651 -0.02864652 -0.03863224 -1633 3.98493699 -0.02855471 -0.03850688 -1634 3.98731746 -0.02846319 -0.03838180 -1635 3.98969794 -0.02837198 -0.03825703 -1636 3.99207842 -0.02828105 -0.03813254 -1637 3.99445889 -0.02819043 -0.03800836 -1638 3.99683937 -0.02810010 -0.03788447 -1639 3.99921984 -0.02801006 -0.03776087 -1640 4.00160032 -0.02792032 -0.03763758 -1641 4.00398080 -0.02783087 -0.03751459 -1642 4.00636127 -0.02774172 -0.03739190 -1643 4.00874175 -0.02765285 -0.03726951 -1644 4.01112222 -0.02756428 -0.03714743 -1645 4.01350270 -0.02747599 -0.03702565 -1646 4.01588318 -0.02738800 -0.03690417 -1647 4.01826365 -0.02730029 -0.03678300 -1648 4.02064413 -0.02721288 -0.03666214 -1649 4.02302460 -0.02712575 -0.03654158 -1650 4.02540508 -0.02703890 -0.03642134 -1651 4.02778556 -0.02695235 -0.03630140 -1652 4.03016603 -0.02686607 -0.03618177 -1653 4.03254651 -0.02678009 -0.03606245 -1654 4.03492699 -0.02669438 -0.03594344 -1655 4.03730746 -0.02660896 -0.03582474 -1656 4.03968794 -0.02652382 -0.03570636 -1657 4.04206841 -0.02643896 -0.03558829 -1658 4.04444889 -0.02635439 -0.03547053 -1659 4.04682937 -0.02627009 -0.03535308 -1660 4.04920984 -0.02618607 -0.03523595 -1661 4.05159032 -0.02610233 -0.03511913 -1662 4.05397079 -0.02601887 -0.03500263 -1663 4.05635127 -0.02593569 -0.03488644 -1664 4.05873175 -0.02585278 -0.03477057 -1665 4.06111222 -0.02577015 -0.03465502 -1666 4.06349270 -0.02568779 -0.03453978 -1667 4.06587317 -0.02560570 -0.03442486 -1668 4.06825365 -0.02552389 -0.03431025 -1669 4.07063413 -0.02544235 -0.03419597 -1670 4.07301460 -0.02536109 -0.03408200 -1671 4.07539508 -0.02528009 -0.03396834 -1672 4.07777556 -0.02519937 -0.03385501 -1673 4.08015603 -0.02511891 -0.03374200 -1674 4.08253651 -0.02503872 -0.03362930 -1675 4.08491698 -0.02495880 -0.03351692 -1676 4.08729746 -0.02487915 -0.03340486 -1677 4.08967794 -0.02479976 -0.03329312 -1678 4.09205841 -0.02472064 -0.03318170 -1679 4.09443889 -0.02464179 -0.03307060 -1680 4.09681936 -0.02456319 -0.03295982 -1681 4.09919984 -0.02448486 -0.03284936 -1682 4.10158032 -0.02440680 -0.03273921 -1683 4.10396079 -0.02432899 -0.03262939 -1684 4.10634127 -0.02425145 -0.03251989 -1685 4.10872174 -0.02417417 -0.03241070 -1686 4.11110222 -0.02409715 -0.03230184 -1687 4.11348270 -0.02402038 -0.03219329 -1688 4.11586317 -0.02394387 -0.03208507 -1689 4.11824365 -0.02386763 -0.03197716 -1690 4.12062412 -0.02379163 -0.03186957 -1691 4.12300460 -0.02371590 -0.03176230 -1692 4.12538508 -0.02364041 -0.03165535 -1693 4.12776555 -0.02356519 -0.03154872 -1694 4.13014603 -0.02349021 -0.03144241 -1695 4.13252651 -0.02341549 -0.03133642 -1696 4.13490698 -0.02334102 -0.03123074 -1697 4.13728746 -0.02326680 -0.03112539 -1698 4.13966793 -0.02319283 -0.03102035 -1699 4.14204841 -0.02311911 -0.03091563 -1700 4.14442889 -0.02304565 -0.03081123 -1701 4.14680936 -0.02297242 -0.03070715 -1702 4.14918984 -0.02289945 -0.03060338 -1703 4.15157031 -0.02282672 -0.03049993 -1704 4.15395079 -0.02275424 -0.03039680 -1705 4.15633127 -0.02268200 -0.03029398 -1706 4.15871174 -0.02261001 -0.03019148 -1707 4.16109222 -0.02253826 -0.03008930 -1708 4.16347269 -0.02246676 -0.02998743 -1709 4.16585317 -0.02239549 -0.02988588 -1710 4.16823365 -0.02232447 -0.02978464 -1711 4.17061412 -0.02225369 -0.02968371 -1712 4.17299460 -0.02218315 -0.02958311 -1713 4.17537508 -0.02211285 -0.02948281 -1714 4.17775555 -0.02204278 -0.02938283 -1715 4.18013603 -0.02197296 -0.02928316 -1716 4.18251650 -0.02190337 -0.02918381 -1717 4.18489698 -0.02183401 -0.02908477 -1718 4.18727746 -0.02176490 -0.02898604 -1719 4.18965793 -0.02169601 -0.02888762 -1720 4.19203841 -0.02162736 -0.02878951 -1721 4.19441888 -0.02155895 -0.02869172 -1722 4.19679936 -0.02149076 -0.02859423 -1723 4.19917984 -0.02142281 -0.02849706 -1724 4.20156031 -0.02135509 -0.02840019 -1725 4.20394079 -0.02128760 -0.02830363 -1726 4.20632126 -0.02122034 -0.02820739 -1727 4.20870174 -0.02115330 -0.02811145 -1728 4.21108222 -0.02108650 -0.02801582 -1729 4.21346269 -0.02101992 -0.02792049 -1730 4.21584317 -0.02095357 -0.02782547 -1731 4.21822364 -0.02088745 -0.02773076 -1732 4.22060412 -0.02082155 -0.02763636 -1733 4.22298460 -0.02075587 -0.02754226 -1734 4.22536507 -0.02069042 -0.02744846 -1735 4.22774555 -0.02062519 -0.02735497 -1736 4.23012603 -0.02056018 -0.02726178 -1737 4.23250650 -0.02049540 -0.02716890 -1738 4.23488698 -0.02043083 -0.02707632 -1739 4.23726745 -0.02036649 -0.02698404 -1740 4.23964793 -0.02030236 -0.02689206 -1741 4.24202841 -0.02023846 -0.02680038 -1742 4.24440888 -0.02017477 -0.02670900 -1743 4.24678936 -0.02011130 -0.02661793 -1744 4.24916983 -0.02004804 -0.02652715 -1745 4.25155031 -0.01998500 -0.02643667 -1746 4.25393079 -0.01992218 -0.02634649 -1747 4.25631126 -0.01985957 -0.02625660 -1748 4.25869174 -0.01979717 -0.02616702 -1749 4.26107221 -0.01973499 -0.02607773 -1750 4.26345269 -0.01967301 -0.02598873 -1751 4.26583317 -0.01961125 -0.02590003 -1752 4.26821364 -0.01954971 -0.02581163 -1753 4.27059412 -0.01948837 -0.02572352 -1754 4.27297459 -0.01942724 -0.02563570 -1755 4.27535507 -0.01936632 -0.02554817 -1756 4.27773555 -0.01930560 -0.02546094 -1757 4.28011602 -0.01924510 -0.02537399 -1758 4.28249650 -0.01918480 -0.02528734 -1759 4.28487698 -0.01912471 -0.02520098 -1760 4.28725745 -0.01906482 -0.02511491 -1761 4.28963793 -0.01900513 -0.02502912 -1762 4.29201840 -0.01894565 -0.02494363 -1763 4.29439888 -0.01888638 -0.02485842 -1764 4.29677936 -0.01882730 -0.02477350 -1765 4.29915983 -0.01876843 -0.02468886 -1766 4.30154031 -0.01870976 -0.02460451 -1767 4.30392078 -0.01865129 -0.02452044 -1768 4.30630126 -0.01859302 -0.02443666 -1769 4.30868174 -0.01853495 -0.02435316 -1770 4.31106221 -0.01847708 -0.02426995 -1771 4.31344269 -0.01841940 -0.02418702 -1772 4.31582316 -0.01836192 -0.02410436 -1773 4.31820364 -0.01830464 -0.02402199 -1774 4.32058412 -0.01824756 -0.02393990 -1775 4.32296459 -0.01819066 -0.02385809 -1776 4.32534507 -0.01813397 -0.02377655 -1777 4.32772555 -0.01807747 -0.02369530 -1778 4.33010602 -0.01802116 -0.02361432 -1779 4.33248650 -0.01796504 -0.02353362 -1780 4.33486697 -0.01790911 -0.02345319 -1781 4.33724745 -0.01785338 -0.02337304 -1782 4.33962793 -0.01779783 -0.02329316 -1783 4.34200840 -0.01774248 -0.02321356 -1784 4.34438888 -0.01768732 -0.02313423 -1785 4.34676935 -0.01763234 -0.02305517 -1786 4.34914983 -0.01757755 -0.02297638 -1787 4.35153031 -0.01752295 -0.02289786 -1788 4.35391078 -0.01746854 -0.02281962 -1789 4.35629126 -0.01741431 -0.02274164 -1790 4.35867173 -0.01736026 -0.02266393 -1791 4.36105221 -0.01730640 -0.02258649 -1792 4.36343269 -0.01725273 -0.02250932 -1793 4.36581316 -0.01719924 -0.02243241 -1794 4.36819364 -0.01714593 -0.02235577 -1795 4.37057411 -0.01709280 -0.02227939 -1796 4.37295459 -0.01703986 -0.02220328 -1797 4.37533507 -0.01698709 -0.02212743 -1798 4.37771554 -0.01693451 -0.02205185 -1799 4.38009602 -0.01688211 -0.02197652 -1800 4.38247650 -0.01682988 -0.02190146 -1801 4.38485697 -0.01677783 -0.02182666 -1802 4.38723745 -0.01672597 -0.02175212 -1803 4.38961792 -0.01667427 -0.02167783 -1804 4.39199840 -0.01662276 -0.02160381 -1805 4.39437888 -0.01657142 -0.02153004 -1806 4.39675935 -0.01652025 -0.02145653 -1807 4.39913983 -0.01646926 -0.02138328 -1808 4.40152030 -0.01641845 -0.02131028 -1809 4.40390078 -0.01636781 -0.02123754 -1810 4.40628126 -0.01631734 -0.02116505 -1811 4.40866173 -0.01626704 -0.02109281 -1812 4.41104221 -0.01621692 -0.02102083 -1813 4.41342268 -0.01616696 -0.02094909 -1814 4.41580316 -0.01611718 -0.02087761 -1815 4.41818364 -0.01606756 -0.02080638 -1816 4.42056411 -0.01601812 -0.02073540 -1817 4.42294459 -0.01596884 -0.02066467 -1818 4.42532507 -0.01591974 -0.02059418 -1819 4.42770554 -0.01587080 -0.02052395 -1820 4.43008602 -0.01582202 -0.02045396 -1821 4.43246649 -0.01577342 -0.02038421 -1822 4.43484697 -0.01572497 -0.02031471 -1823 4.43722745 -0.01567670 -0.02024546 -1824 4.43960792 -0.01562859 -0.02017644 -1825 4.44198840 -0.01558064 -0.02010767 -1826 4.44436887 -0.01553285 -0.02003915 -1827 4.44674935 -0.01548523 -0.01997086 -1828 4.44912983 -0.01543777 -0.01990282 -1829 4.45151030 -0.01539048 -0.01983501 -1830 4.45389078 -0.01534334 -0.01976745 -1831 4.45627125 -0.01529636 -0.01970012 -1832 4.45865173 -0.01524955 -0.01963303 -1833 4.46103221 -0.01520289 -0.01956618 -1834 4.46341268 -0.01515639 -0.01949956 -1835 4.46579316 -0.01511006 -0.01943318 -1836 4.46817363 -0.01506387 -0.01936703 -1837 4.47055411 -0.01501785 -0.01930112 -1838 4.47293459 -0.01497198 -0.01923544 -1839 4.47531506 -0.01492627 -0.01916999 -1840 4.47769554 -0.01488071 -0.01910478 -1841 4.48007602 -0.01483531 -0.01903979 -1842 4.48245649 -0.01479007 -0.01897504 -1843 4.48483697 -0.01474497 -0.01891052 -1844 4.48721744 -0.01470003 -0.01884622 -1845 4.48959792 -0.01465525 -0.01878215 -1846 4.49197840 -0.01461061 -0.01871832 -1847 4.49435887 -0.01456613 -0.01865470 -1848 4.49673935 -0.01452180 -0.01859132 -1849 4.49911982 -0.01447762 -0.01852815 -1850 4.50150030 -0.01443359 -0.01846522 -1851 4.50388078 -0.01438971 -0.01840250 -1852 4.50626125 -0.01434597 -0.01834001 -1853 4.50864173 -0.01430239 -0.01827774 -1854 4.51102220 -0.01425895 -0.01821570 -1855 4.51340268 -0.01421567 -0.01815387 -1856 4.51578316 -0.01417252 -0.01809227 -1857 4.51816363 -0.01412953 -0.01803088 -1858 4.52054411 -0.01408668 -0.01796971 -1859 4.52292458 -0.01404398 -0.01790876 -1860 4.52530506 -0.01400142 -0.01784803 -1861 4.52768554 -0.01395900 -0.01778752 -1862 4.53006601 -0.01391673 -0.01772722 -1863 4.53244649 -0.01387460 -0.01766713 -1864 4.53482697 -0.01383262 -0.01760726 -1865 4.53720744 -0.01379078 -0.01754761 -1866 4.53958792 -0.01374908 -0.01748816 -1867 4.54196839 -0.01370752 -0.01742893 -1868 4.54434887 -0.01366610 -0.01736991 -1869 4.54672935 -0.01362482 -0.01731110 -1870 4.54910982 -0.01358368 -0.01725251 -1871 4.55149030 -0.01354268 -0.01719412 -1872 4.55387077 -0.01350182 -0.01713594 -1873 4.55625125 -0.01346110 -0.01707797 -1874 4.55863173 -0.01342051 -0.01702020 -1875 4.56101220 -0.01338006 -0.01696264 -1876 4.56339268 -0.01333975 -0.01690529 -1877 4.56577315 -0.01329958 -0.01684814 -1878 4.56815363 -0.01325954 -0.01679120 -1879 4.57053411 -0.01321964 -0.01673446 -1880 4.57291458 -0.01317987 -0.01667793 -1881 4.57529506 -0.01314023 -0.01662160 -1882 4.57767554 -0.01310073 -0.01656547 -1883 4.58005601 -0.01306137 -0.01650954 -1884 4.58243649 -0.01302213 -0.01645381 -1885 4.58481696 -0.01298303 -0.01639828 -1886 4.58719744 -0.01294406 -0.01634295 -1887 4.58957792 -0.01290522 -0.01628782 -1888 4.59195839 -0.01286651 -0.01623288 -1889 4.59433887 -0.01282794 -0.01617814 -1890 4.59671934 -0.01278949 -0.01612360 -1891 4.59909982 -0.01275117 -0.01606926 -1892 4.60148030 -0.01271299 -0.01601511 -1893 4.60386077 -0.01267493 -0.01596115 -1894 4.60624125 -0.01263699 -0.01590739 -1895 4.60862172 -0.01259919 -0.01585382 -1896 4.61100220 -0.01256152 -0.01580044 -1897 4.61338268 -0.01252397 -0.01574726 -1898 4.61576315 -0.01248654 -0.01569426 -1899 4.61814363 -0.01244925 -0.01564146 -1900 4.62052410 -0.01241208 -0.01558885 -1901 4.62290458 -0.01237503 -0.01553642 -1902 4.62528506 -0.01233811 -0.01548419 -1903 4.62766553 -0.01230131 -0.01543214 -1904 4.63004601 -0.01226463 -0.01538027 -1905 4.63242649 -0.01222808 -0.01532860 -1906 4.63480696 -0.01219166 -0.01527711 -1907 4.63718744 -0.01215535 -0.01522580 -1908 4.63956791 -0.01211917 -0.01517468 -1909 4.64194839 -0.01208310 -0.01512375 -1910 4.64432887 -0.01204716 -0.01507299 -1911 4.64670934 -0.01201134 -0.01502242 -1912 4.64908982 -0.01197564 -0.01497203 -1913 4.65147029 -0.01194006 -0.01492183 -1914 4.65385077 -0.01190460 -0.01487180 -1915 4.65623125 -0.01186926 -0.01482195 -1916 4.65861172 -0.01183403 -0.01477228 -1917 4.66099220 -0.01179893 -0.01472279 -1918 4.66337267 -0.01176394 -0.01467348 -1919 4.66575315 -0.01172907 -0.01462435 -1920 4.66813363 -0.01169431 -0.01457539 -1921 4.67051410 -0.01165967 -0.01452661 -1922 4.67289458 -0.01162515 -0.01447800 -1923 4.67527506 -0.01159074 -0.01442957 -1924 4.67765553 -0.01155645 -0.01438132 -1925 4.68003601 -0.01152228 -0.01433323 -1926 4.68241648 -0.01148821 -0.01428532 -1927 4.68479696 -0.01145426 -0.01423759 -1928 4.68717744 -0.01142043 -0.01419002 -1929 4.68955791 -0.01138671 -0.01414263 -1930 4.69193839 -0.01135310 -0.01409540 -1931 4.69431886 -0.01131960 -0.01404835 -1932 4.69669934 -0.01128621 -0.01400146 -1933 4.69907982 -0.01125294 -0.01395475 -1934 4.70146029 -0.01121977 -0.01390820 -1935 4.70384077 -0.01118672 -0.01386182 -1936 4.70622124 -0.01115378 -0.01381561 -1937 4.70860172 -0.01112095 -0.01376956 -1938 4.71098220 -0.01108822 -0.01372368 -1939 4.71336267 -0.01105561 -0.01367796 -1940 4.71574315 -0.01102310 -0.01363241 -1941 4.71812362 -0.01099070 -0.01358702 -1942 4.72050410 -0.01095841 -0.01354180 -1943 4.72288458 -0.01092623 -0.01349674 -1944 4.72526505 -0.01089416 -0.01345184 -1945 4.72764553 -0.01086219 -0.01340710 -1946 4.73002601 -0.01083033 -0.01336253 -1947 4.73240648 -0.01079857 -0.01331811 -1948 4.73478696 -0.01076692 -0.01327385 -1949 4.73716743 -0.01073537 -0.01322976 -1950 4.73954791 -0.01070393 -0.01318582 -1951 4.74192839 -0.01067260 -0.01314204 -1952 4.74430886 -0.01064136 -0.01309841 -1953 4.74668934 -0.01061024 -0.01305495 -1954 4.74906981 -0.01057921 -0.01301164 -1955 4.75145029 -0.01054829 -0.01296849 -1956 4.75383077 -0.01051747 -0.01292549 -1957 4.75621124 -0.01048675 -0.01288264 -1958 4.75859172 -0.01045613 -0.01283995 -1959 4.76097219 -0.01042562 -0.01279742 -1960 4.76335267 -0.01039521 -0.01275503 -1961 4.76573315 -0.01036489 -0.01271280 -1962 4.76811362 -0.01033468 -0.01267073 -1963 4.77049410 -0.01030457 -0.01262880 -1964 4.77287457 -0.01027456 -0.01258702 -1965 4.77525505 -0.01024464 -0.01254540 -1966 4.77763553 -0.01021483 -0.01250392 -1967 4.78001600 -0.01018511 -0.01246259 -1968 4.78239648 -0.01015549 -0.01242141 -1969 4.78477696 -0.01012597 -0.01238038 -1970 4.78715743 -0.01009655 -0.01233950 -1971 4.78953791 -0.01006723 -0.01229876 -1972 4.79191838 -0.01003800 -0.01225817 -1973 4.79429886 -0.01000887 -0.01221773 -1974 4.79667934 -0.00997983 -0.01217743 -1975 4.79905981 -0.00995089 -0.01213727 -1976 4.80144029 -0.00992204 -0.01209726 -1977 4.80382076 -0.00989329 -0.01205740 -1978 4.80620124 -0.00986464 -0.01201768 -1979 4.80858172 -0.00983608 -0.01197809 -1980 4.81096219 -0.00980761 -0.01193866 -1981 4.81334267 -0.00977924 -0.01189936 -1982 4.81572314 -0.00975096 -0.01186021 -1983 4.81810362 -0.00972277 -0.01182119 -1984 4.82048410 -0.00969468 -0.01178232 -1985 4.82286457 -0.00966668 -0.01174358 -1986 4.82524505 -0.00963877 -0.01170499 -1987 4.82762553 -0.00961095 -0.01166653 -1988 4.83000600 -0.00958322 -0.01162821 -1989 4.83238648 -0.00955559 -0.01159003 -1990 4.83476695 -0.00952804 -0.01155198 -1991 4.83714743 -0.00950059 -0.01151407 -1992 4.83952791 -0.00947323 -0.01147630 -1993 4.84190838 -0.00944595 -0.01143866 -1994 4.84428886 -0.00941877 -0.01140116 -1995 4.84666933 -0.00939167 -0.01136379 -1996 4.84904981 -0.00936467 -0.01132656 -1997 4.85143029 -0.00933775 -0.01128946 -1998 4.85381076 -0.00931092 -0.01125249 -1999 4.85619124 -0.00928417 -0.01121566 -2000 4.85857171 -0.00925752 -0.01117896 -2001 4.86095219 -0.00923095 -0.01114239 -2002 4.86333267 -0.00920447 -0.01110595 -2003 4.86571314 -0.00917808 -0.01106964 -2004 4.86809362 -0.00915177 -0.01103346 -2005 4.87047409 -0.00912555 -0.01099741 -2006 4.87285457 -0.00909941 -0.01096149 -2007 4.87523505 -0.00907336 -0.01092569 -2008 4.87761552 -0.00904739 -0.01089003 -2009 4.87999600 -0.00902151 -0.01085449 -2010 4.88237648 -0.00899572 -0.01081909 -2011 4.88475695 -0.00897000 -0.01078380 -2012 4.88713743 -0.00894437 -0.01074865 -2013 4.88951790 -0.00891883 -0.01071362 -2014 4.89189838 -0.00889337 -0.01067871 -2015 4.89427886 -0.00886799 -0.01064393 -2016 4.89665933 -0.00884269 -0.01060928 -2017 4.89903981 -0.00881748 -0.01057474 -2018 4.90142028 -0.00879235 -0.01054033 -2019 4.90380076 -0.00876730 -0.01050605 -2020 4.90618124 -0.00874233 -0.01047189 -2021 4.90856171 -0.00871744 -0.01043785 -2022 4.91094219 -0.00869263 -0.01040393 -2023 4.91332266 -0.00866791 -0.01037013 -2024 4.91570314 -0.00864326 -0.01033645 -2025 4.91808362 -0.00861870 -0.01030289 -2026 4.92046409 -0.00859421 -0.01026946 -2027 4.92284457 -0.00856980 -0.01023614 -2028 4.92522505 -0.00854548 -0.01020294 -2029 4.92760552 -0.00852123 -0.01016986 -2030 4.92998600 -0.00849706 -0.01013690 -2031 4.93236647 -0.00847297 -0.01010405 -2032 4.93474695 -0.00844895 -0.01007132 -2033 4.93712743 -0.00842502 -0.01003871 -2034 4.93950790 -0.00840116 -0.01000622 -2035 4.94188838 -0.00837738 -0.00997384 -2036 4.94426885 -0.00835367 -0.00994157 -2037 4.94664933 -0.00833005 -0.00990943 -2038 4.94902981 -0.00830650 -0.00987739 -2039 4.95141028 -0.00828302 -0.00984547 -2040 4.95379076 -0.00825962 -0.00981366 -2041 4.95617123 -0.00823630 -0.00978197 -2042 4.95855171 -0.00821305 -0.00975039 -2043 4.96093219 -0.00818988 -0.00971892 -2044 4.96331266 -0.00816678 -0.00968757 -2045 4.96569314 -0.00814375 -0.00965632 -2046 4.96807361 -0.00812080 -0.00962519 -2047 4.97045409 -0.00809793 -0.00959417 -2048 4.97283457 -0.00807513 -0.00956326 -2049 4.97521504 -0.00805240 -0.00953245 -2050 4.97759552 -0.00802974 -0.00950176 -2051 4.97997600 -0.00800716 -0.00947118 -2052 4.98235647 -0.00798465 -0.00944070 -2053 4.98473695 -0.00796221 -0.00941034 -2054 4.98711742 -0.00793985 -0.00938008 -2055 4.98949790 -0.00791756 -0.00934993 -2056 4.99187838 -0.00789533 -0.00931988 -2057 4.99425885 -0.00787318 -0.00928994 -2058 4.99663933 -0.00785111 -0.00926011 -2059 4.99901980 -0.00782910 -0.00923039 -2060 5.00140028 -0.00780716 -0.00920077 -2061 5.00378076 -0.00778529 -0.00917125 -2062 5.00616123 -0.00776350 -0.00914184 -2063 5.00854171 -0.00774177 -0.00911254 -2064 5.01092218 -0.00772011 -0.00908333 -2065 5.01330266 -0.00769852 -0.00905424 -2066 5.01568314 -0.00767700 -0.00902524 -2067 5.01806361 -0.00765556 -0.00899635 -2068 5.02044409 -0.00763417 -0.00896756 -2069 5.02282456 -0.00761286 -0.00893887 -2070 5.02520504 -0.00759162 -0.00891028 -2071 5.02758552 -0.00757044 -0.00888180 -2072 5.02996599 -0.00754933 -0.00885341 -2073 5.03234647 -0.00752829 -0.00882513 -2074 5.03472695 -0.00750731 -0.00879694 -2075 5.03710742 -0.00748641 -0.00876886 -2076 5.03948790 -0.00746557 -0.00874087 -2077 5.04186837 -0.00744479 -0.00871298 -2078 5.04424885 -0.00742408 -0.00868520 -2079 5.04662933 -0.00740344 -0.00865751 -2080 5.04900980 -0.00738287 -0.00862991 -2081 5.05139028 -0.00736236 -0.00860242 -2082 5.05377075 -0.00734191 -0.00857502 -2083 5.05615123 -0.00732153 -0.00854772 -2084 5.05853171 -0.00730121 -0.00852052 -2085 5.06091218 -0.00728096 -0.00849341 -2086 5.06329266 -0.00726078 -0.00846640 -2087 5.06567313 -0.00724066 -0.00843948 -2088 5.06805361 -0.00722060 -0.00841266 -2089 5.07043409 -0.00720060 -0.00838593 -2090 5.07281456 -0.00718067 -0.00835929 -2091 5.07519504 -0.00716081 -0.00833275 -2092 5.07757552 -0.00714100 -0.00830631 -2093 5.07995599 -0.00712126 -0.00827995 -2094 5.08233647 -0.00710158 -0.00825369 -2095 5.08471694 -0.00708196 -0.00822753 -2096 5.08709742 -0.00706241 -0.00820145 -2097 5.08947790 -0.00704292 -0.00817547 -2098 5.09185837 -0.00702349 -0.00814957 -2099 5.09423885 -0.00700412 -0.00812377 -2100 5.09661932 -0.00698481 -0.00809806 -2101 5.09899980 -0.00696556 -0.00807244 -2102 5.10138028 -0.00694638 -0.00804691 -2103 5.10376075 -0.00692725 -0.00802147 -2104 5.10614123 -0.00690819 -0.00799612 -2105 5.10852170 -0.00688918 -0.00797085 -2106 5.11090218 -0.00687024 -0.00794568 -2107 5.11328266 -0.00685135 -0.00792059 -2108 5.11566313 -0.00683253 -0.00789560 -2109 5.11804361 -0.00681376 -0.00787069 -2110 5.12042408 -0.00679506 -0.00784587 -2111 5.12280456 -0.00677641 -0.00782113 -2112 5.12518504 -0.00675782 -0.00779648 -2113 5.12756551 -0.00673929 -0.00777192 -2114 5.12994599 -0.00672082 -0.00774744 -2115 5.13232647 -0.00670240 -0.00772305 -2116 5.13470694 -0.00668405 -0.00769875 -2117 5.13708742 -0.00666575 -0.00767453 -2118 5.13946789 -0.00664751 -0.00765039 -2119 5.14184837 -0.00662933 -0.00762634 -2120 5.14422885 -0.00661120 -0.00760238 -2121 5.14660932 -0.00659313 -0.00757849 -2122 5.14898980 -0.00657512 -0.00755469 -2123 5.15137027 -0.00655717 -0.00753098 -2124 5.15375075 -0.00653927 -0.00750735 -2125 5.15613123 -0.00652142 -0.00748379 -2126 5.15851170 -0.00650364 -0.00746033 -2127 5.16089218 -0.00648591 -0.00743694 -2128 5.16327265 -0.00646823 -0.00741364 -2129 5.16565313 -0.00645061 -0.00739041 -2130 5.16803361 -0.00643304 -0.00736727 -2131 5.17041408 -0.00641553 -0.00734421 -2132 5.17279456 -0.00639808 -0.00732123 -2133 5.17517504 -0.00638068 -0.00729833 -2134 5.17755551 -0.00636333 -0.00727551 -2135 5.17993599 -0.00634604 -0.00725276 -2136 5.18231646 -0.00632880 -0.00723010 -2137 5.18469694 -0.00631162 -0.00720752 -2138 5.18707742 -0.00629449 -0.00718501 -2139 5.18945789 -0.00627741 -0.00716259 -2140 5.19183837 -0.00626039 -0.00714024 -2141 5.19421884 -0.00624342 -0.00711797 -2142 5.19659932 -0.00622650 -0.00709578 -2143 5.19897980 -0.00620963 -0.00707366 -2144 5.20136027 -0.00619282 -0.00705162 -2145 5.20374075 -0.00617606 -0.00702966 -2146 5.20612122 -0.00615935 -0.00700777 -2147 5.20850170 -0.00614270 -0.00698596 -2148 5.21088218 -0.00612609 -0.00696423 -2149 5.21326265 -0.00610954 -0.00694257 -2150 5.21564313 -0.00609304 -0.00692099 -2151 5.21802360 -0.00607659 -0.00689948 -2152 5.22040408 -0.00606019 -0.00687804 -2153 5.22278456 -0.00604384 -0.00685668 -2154 5.22516503 -0.00602755 -0.00683540 -2155 5.22754551 -0.00601130 -0.00681418 -2156 5.22992599 -0.00599510 -0.00679305 -2157 5.23230646 -0.00597896 -0.00677198 -2158 5.23468694 -0.00596286 -0.00675099 -2159 5.23706741 -0.00594682 -0.00673007 -2160 5.23944789 -0.00593082 -0.00670922 -2161 5.24182837 -0.00591488 -0.00668845 -2162 5.24420884 -0.00589898 -0.00666774 -2163 5.24658932 -0.00588313 -0.00664711 -2164 5.24896979 -0.00586733 -0.00662655 -2165 5.25135027 -0.00585158 -0.00660606 -2166 5.25373075 -0.00583588 -0.00658564 -2167 5.25611122 -0.00582023 -0.00656530 -2168 5.25849170 -0.00580462 -0.00654502 -2169 5.26087217 -0.00578907 -0.00652481 -2170 5.26325265 -0.00577356 -0.00650467 -2171 5.26563313 -0.00575810 -0.00648460 -2172 5.26801360 -0.00574269 -0.00646461 -2173 5.27039408 -0.00572732 -0.00644468 -2174 5.27277455 -0.00571200 -0.00642481 -2175 5.27515503 -0.00569673 -0.00640502 -2176 5.27753551 -0.00568151 -0.00638530 -2177 5.27991598 -0.00566633 -0.00636564 -2178 5.28229646 -0.00565120 -0.00634605 -2179 5.28467694 -0.00563612 -0.00632653 -2180 5.28705741 -0.00562108 -0.00630707 -2181 5.28943789 -0.00560609 -0.00628769 -2182 5.29181836 -0.00559115 -0.00626836 -2183 5.29419884 -0.00557625 -0.00624911 -2184 5.29657932 -0.00556140 -0.00622992 -2185 5.29895979 -0.00554659 -0.00621080 -2186 5.30134027 -0.00553183 -0.00619174 -2187 5.30372074 -0.00551711 -0.00617275 -2188 5.30610122 -0.00550244 -0.00615383 -2189 5.30848170 -0.00548781 -0.00613496 -2190 5.31086217 -0.00547323 -0.00611617 -2191 5.31324265 -0.00545869 -0.00609744 -2192 5.31562312 -0.00544420 -0.00607877 -2193 5.31800360 -0.00542975 -0.00606016 -2194 5.32038408 -0.00541535 -0.00604162 -2195 5.32276455 -0.00540099 -0.00602315 -2196 5.32514503 -0.00538667 -0.00600474 -2197 5.32752551 -0.00537240 -0.00598639 -2198 5.32990598 -0.00535817 -0.00596810 -2199 5.33228646 -0.00534399 -0.00594987 -2200 5.33466693 -0.00532984 -0.00593171 -2201 5.33704741 -0.00531574 -0.00591361 -2202 5.33942789 -0.00530169 -0.00589557 -2203 5.34180836 -0.00528768 -0.00587760 -2204 5.34418884 -0.00527371 -0.00585968 -2205 5.34656931 -0.00525978 -0.00584183 -2206 5.34894979 -0.00524589 -0.00582403 -2207 5.35133027 -0.00523205 -0.00580630 -2208 5.35371074 -0.00521825 -0.00578863 -2209 5.35609122 -0.00520449 -0.00577102 -2210 5.35847169 -0.00519077 -0.00575347 -2211 5.36085217 -0.00517710 -0.00573598 -2212 5.36323265 -0.00516347 -0.00571854 -2213 5.36561312 -0.00514987 -0.00570117 -2214 5.36799360 -0.00513632 -0.00568386 -2215 5.37037407 -0.00512281 -0.00566660 -2216 5.37275455 -0.00510934 -0.00564941 -2217 5.37513503 -0.00509592 -0.00563227 -2218 5.37751550 -0.00508253 -0.00561519 -2219 5.37989598 -0.00506918 -0.00559817 -2220 5.38227646 -0.00505588 -0.00558121 -2221 5.38465693 -0.00504261 -0.00556430 -2222 5.38703741 -0.00502938 -0.00554746 -2223 5.38941788 -0.00501620 -0.00553067 -2224 5.39179836 -0.00500305 -0.00551393 -2225 5.39417884 -0.00498995 -0.00549726 -2226 5.39655931 -0.00497688 -0.00548064 -2227 5.39893979 -0.00496385 -0.00546407 -2228 5.40132026 -0.00495087 -0.00544756 -2229 5.40370074 -0.00493792 -0.00543111 -2230 5.40608122 -0.00492501 -0.00541472 -2231 5.40846169 -0.00491214 -0.00539838 -2232 5.41084217 -0.00489931 -0.00538209 -2233 5.41322264 -0.00488652 -0.00536586 -2234 5.41560312 -0.00487376 -0.00534969 -2235 5.41798360 -0.00486105 -0.00533357 -2236 5.42036407 -0.00484837 -0.00531750 -2237 5.42274455 -0.00483573 -0.00530149 -2238 5.42512503 -0.00482313 -0.00528554 -2239 5.42750550 -0.00481057 -0.00526963 -2240 5.42988598 -0.00479804 -0.00525378 -2241 5.43226645 -0.00478555 -0.00523799 -2242 5.43464693 -0.00477310 -0.00522225 -2243 5.43702741 -0.00476069 -0.00520656 -2244 5.43940788 -0.00474831 -0.00519092 -2245 5.44178836 -0.00473598 -0.00517534 -2246 5.44416883 -0.00472367 -0.00515981 -2247 5.44654931 -0.00471141 -0.00514433 -2248 5.44892979 -0.00469918 -0.00512890 -2249 5.45131026 -0.00468699 -0.00511353 -2250 5.45369074 -0.00467484 -0.00509821 -2251 5.45607121 -0.00466272 -0.00508293 -2252 5.45845169 -0.00465064 -0.00506772 -2253 5.46083217 -0.00463859 -0.00505255 -2254 5.46321264 -0.00462658 -0.00503743 -2255 5.46559312 -0.00461461 -0.00502236 -2256 5.46797359 -0.00460267 -0.00500735 -2257 5.47035407 -0.00459077 -0.00499238 -2258 5.47273455 -0.00457890 -0.00497747 -2259 5.47511502 -0.00456707 -0.00496260 -2260 5.47749550 -0.00455528 -0.00494779 -2261 5.47987598 -0.00454352 -0.00493302 -2262 5.48225645 -0.00453179 -0.00491831 -2263 5.48463693 -0.00452010 -0.00490364 -2264 5.48701740 -0.00450844 -0.00488902 -2265 5.48939788 -0.00449682 -0.00487446 -2266 5.49177836 -0.00448524 -0.00485994 -2267 5.49415883 -0.00447368 -0.00484547 -2268 5.49653931 -0.00446217 -0.00483104 -2269 5.49891978 -0.00445068 -0.00481667 -2270 5.50130026 -0.00443924 -0.00480235 -2271 5.50368074 -0.00442782 -0.00478807 -2272 5.50606121 -0.00441644 -0.00477384 -2273 5.50844169 -0.00440509 -0.00475966 -2274 5.51082216 -0.00439378 -0.00474552 -2275 5.51320264 -0.00438250 -0.00473143 -2276 5.51558312 -0.00437125 -0.00471739 -2277 5.51796359 -0.00436004 -0.00470340 -2278 5.52034407 -0.00434886 -0.00468945 -2279 5.52272454 -0.00433771 -0.00467555 -2280 5.52510502 -0.00432660 -0.00466170 -2281 5.52748550 -0.00431552 -0.00464789 -2282 5.52986597 -0.00430447 -0.00463413 -2283 5.53224645 -0.00429346 -0.00462041 -2284 5.53462693 -0.00428247 -0.00460674 -2285 5.53700740 -0.00427152 -0.00459312 -2286 5.53938788 -0.00426061 -0.00457954 -2287 5.54176835 -0.00424972 -0.00456600 -2288 5.54414883 -0.00423887 -0.00455251 -2289 5.54652931 -0.00422805 -0.00453907 -2290 5.54890978 -0.00421726 -0.00452567 -2291 5.55129026 -0.00420650 -0.00451231 -2292 5.55367073 -0.00419577 -0.00449900 -2293 5.55605121 -0.00418508 -0.00448574 -2294 5.55843169 -0.00417442 -0.00447252 -2295 5.56081216 -0.00416379 -0.00445934 -2296 5.56319264 -0.00415319 -0.00444620 -2297 5.56557311 -0.00414262 -0.00443311 -2298 5.56795359 -0.00413208 -0.00442006 -2299 5.57033407 -0.00412158 -0.00440706 -2300 5.57271454 -0.00411110 -0.00439410 -2301 5.57509502 -0.00410066 -0.00438118 -2302 5.57747550 -0.00409024 -0.00436831 -2303 5.57985597 -0.00407986 -0.00435547 -2304 5.58223645 -0.00406951 -0.00434268 -2305 5.58461692 -0.00405918 -0.00432993 -2306 5.58699740 -0.00404889 -0.00431723 -2307 5.58937788 -0.00403863 -0.00430456 -2308 5.59175835 -0.00402840 -0.00429194 -2309 5.59413883 -0.00401819 -0.00427936 -2310 5.59651930 -0.00400802 -0.00426682 -2311 5.59889978 -0.00399788 -0.00425433 -2312 5.60128026 -0.00398777 -0.00424187 -2313 5.60366073 -0.00397769 -0.00422946 -2314 5.60604121 -0.00396763 -0.00421708 -2315 5.60842168 -0.00395761 -0.00420475 -2316 5.61080216 -0.00394761 -0.00419246 -2317 5.61318264 -0.00393765 -0.00418020 -2318 5.61556311 -0.00392771 -0.00416799 -2319 5.61794359 -0.00391780 -0.00415582 -2320 5.62032406 -0.00390793 -0.00414369 -2321 5.62270454 -0.00389808 -0.00413160 -2322 5.62508502 -0.00388826 -0.00411955 -2323 5.62746549 -0.00387846 -0.00410754 -2324 5.62984597 -0.00386870 -0.00409556 -2325 5.63222645 -0.00385896 -0.00408363 -2326 5.63460692 -0.00384926 -0.00407174 -2327 5.63698740 -0.00383958 -0.00405988 -2328 5.63936787 -0.00382993 -0.00404807 -2329 5.64174835 -0.00382031 -0.00403629 -2330 5.64412883 -0.00381071 -0.00402455 -2331 5.64650930 -0.00380115 -0.00401285 -2332 5.64888978 -0.00379161 -0.00400119 -2333 5.65127025 -0.00378210 -0.00398957 -2334 5.65365073 -0.00377261 -0.00397798 -2335 5.65603121 -0.00376316 -0.00396644 -2336 5.65841168 -0.00375373 -0.00395493 -2337 5.66079216 -0.00374433 -0.00394345 -2338 5.66317263 -0.00373495 -0.00393202 -2339 5.66555311 -0.00372561 -0.00392062 -2340 5.66793359 -0.00371629 -0.00390926 -2341 5.67031406 -0.00370700 -0.00389794 -2342 5.67269454 -0.00369773 -0.00388666 -2343 5.67507502 -0.00368849 -0.00387541 -2344 5.67745549 -0.00367928 -0.00386420 -2345 5.67983597 -0.00367009 -0.00385302 -2346 5.68221644 -0.00366094 -0.00384188 -2347 5.68459692 -0.00365180 -0.00383078 -2348 5.68697740 -0.00364270 -0.00381972 -2349 5.68935787 -0.00363362 -0.00380869 -2350 5.69173835 -0.00362456 -0.00379769 -2351 5.69411882 -0.00361554 -0.00378673 -2352 5.69649930 -0.00360654 -0.00377581 -2353 5.69887978 -0.00359756 -0.00376493 -2354 5.70126025 -0.00358861 -0.00375407 -2355 5.70364073 -0.00357969 -0.00374326 -2356 5.70602120 -0.00357079 -0.00373248 -2357 5.70840168 -0.00356192 -0.00372173 -2358 5.71078216 -0.00355307 -0.00371102 -2359 5.71316263 -0.00354425 -0.00370035 -2360 5.71554311 -0.00353545 -0.00368970 -2361 5.71792358 -0.00352668 -0.00367910 -2362 5.72030406 -0.00351794 -0.00366853 -2363 5.72268454 -0.00350922 -0.00365799 -2364 5.72506501 -0.00350052 -0.00364748 -2365 5.72744549 -0.00349185 -0.00363701 -2366 5.72982597 -0.00348321 -0.00362658 -2367 5.73220644 -0.00347459 -0.00361618 -2368 5.73458692 -0.00346599 -0.00360581 -2369 5.73696739 -0.00345742 -0.00359547 -2370 5.73934787 -0.00344887 -0.00358517 -2371 5.74172835 -0.00344035 -0.00357491 -2372 5.74410882 -0.00343185 -0.00356467 -2373 5.74648930 -0.00342338 -0.00355447 -2374 5.74886977 -0.00341493 -0.00354430 -2375 5.75125025 -0.00340650 -0.00353417 -2376 5.75363073 -0.00339810 -0.00352406 -2377 5.75601120 -0.00338973 -0.00351399 -2378 5.75839168 -0.00338137 -0.00350396 -2379 5.76077215 -0.00337304 -0.00349395 -2380 5.76315263 -0.00336474 -0.00348398 -2381 5.76553311 -0.00335646 -0.00347404 -2382 5.76791358 -0.00334820 -0.00346413 -2383 5.77029406 -0.00333996 -0.00345425 -2384 5.77267453 -0.00333175 -0.00344441 -2385 5.77505501 -0.00332357 -0.00343459 -2386 5.77743549 -0.00331540 -0.00342481 -2387 5.77981596 -0.00330726 -0.00341506 -2388 5.78219644 -0.00329914 -0.00340534 -2389 5.78457692 -0.00329105 -0.00339566 -2390 5.78695739 -0.00328298 -0.00338600 -2391 5.78933787 -0.00327493 -0.00337637 -2392 5.79171834 -0.00326690 -0.00336678 -2393 5.79409882 -0.00325890 -0.00335722 -2394 5.79647930 -0.00325092 -0.00334768 -2395 5.79885977 -0.00324296 -0.00333818 -2396 5.80124025 -0.00323502 -0.00332871 -2397 5.80362072 -0.00322711 -0.00331927 -2398 5.80600120 -0.00321922 -0.00330986 -2399 5.80838168 -0.00321135 -0.00330048 -2400 5.81076215 -0.00320351 -0.00329113 -2401 5.81314263 -0.00319568 -0.00328181 -2402 5.81552310 -0.00318788 -0.00327252 -2403 5.81790358 -0.00318010 -0.00326325 -2404 5.82028406 -0.00317235 -0.00325402 -2405 5.82266453 -0.00316461 -0.00324482 -2406 5.82504501 -0.00315690 -0.00323565 -2407 5.82742549 -0.00314921 -0.00322651 -2408 5.82980596 -0.00314154 -0.00321739 -2409 5.83218644 -0.00313389 -0.00320831 -2410 5.83456691 -0.00312626 -0.00319925 -2411 5.83694739 -0.00311866 -0.00319022 -2412 5.83932787 -0.00311107 -0.00318123 -2413 5.84170834 -0.00310351 -0.00317226 -2414 5.84408882 -0.00309597 -0.00316332 -2415 5.84646929 -0.00308845 -0.00315440 -2416 5.84884977 -0.00308095 -0.00314552 -2417 5.85123025 -0.00307348 -0.00313667 -2418 5.85361072 -0.00306602 -0.00312784 -2419 5.85599120 -0.00305858 -0.00311904 -2420 5.85837167 -0.00305117 -0.00311027 -2421 5.86075215 -0.00304378 -0.00310153 -2422 5.86313263 -0.00303640 -0.00309281 -2423 5.86551310 -0.00302905 -0.00308412 -2424 5.86789358 -0.00302172 -0.00307546 -2425 5.87027405 -0.00301441 -0.00306683 -2426 5.87265453 -0.00300712 -0.00305822 -2427 5.87503501 -0.00299985 -0.00304965 -2428 5.87741548 -0.00299260 -0.00304110 -2429 5.87979596 -0.00298537 -0.00303257 -2430 5.88217644 -0.00297816 -0.00302408 -2431 5.88455691 -0.00297097 -0.00301561 -2432 5.88693739 -0.00296381 -0.00300716 -2433 5.88931786 -0.00295666 -0.00299875 -2434 5.89169834 -0.00294953 -0.00299036 -2435 5.89407882 -0.00294242 -0.00298200 -2436 5.89645929 -0.00293533 -0.00297366 -2437 5.89883977 -0.00292826 -0.00296535 -2438 5.90122024 -0.00292121 -0.00295707 -2439 5.90360072 -0.00291418 -0.00294881 -2440 5.90598120 -0.00290717 -0.00294058 -2441 5.90836167 -0.00290018 -0.00293238 -2442 5.91074215 -0.00289321 -0.00292420 -2443 5.91312262 -0.00288626 -0.00291604 -2444 5.91550310 -0.00287933 -0.00290792 -2445 5.91788358 -0.00287242 -0.00289981 -2446 5.92026405 -0.00286552 -0.00289174 -2447 5.92264453 -0.00285865 -0.00288369 -2448 5.92502501 -0.00285179 -0.00287566 -2449 5.92740548 -0.00284496 -0.00286766 -2450 5.92978596 -0.00283814 -0.00285969 -2451 5.93216643 -0.00283134 -0.00285174 -2452 5.93454691 -0.00282457 -0.00284381 -2453 5.93692739 -0.00281780 -0.00283591 -2454 5.93930786 -0.00281106 -0.00282804 -2455 5.94168834 -0.00280434 -0.00282019 -2456 5.94406881 -0.00279764 -0.00281236 -2457 5.94644929 -0.00279095 -0.00280456 -2458 5.94882977 -0.00278428 -0.00279678 -2459 5.95121024 -0.00277764 -0.00278903 -2460 5.95359072 -0.00277101 -0.00278130 -2461 5.95597119 -0.00276439 -0.00277360 -2462 5.95835167 -0.00275780 -0.00276592 -2463 5.96073215 -0.00275123 -0.00275827 -2464 5.96311262 -0.00274467 -0.00275064 -2465 5.96549310 -0.00273813 -0.00274303 -2466 5.96787357 -0.00273161 -0.00273545 -2467 5.97025405 -0.00272511 -0.00272789 -2468 5.97263453 -0.00271862 -0.00272035 -2469 5.97501500 -0.00271216 -0.00271284 -2470 5.97739548 -0.00270571 -0.00270535 -2471 5.97977596 -0.00269928 -0.00269788 -2472 5.98215643 -0.00269286 -0.00269044 -2473 5.98453691 -0.00268647 -0.00268302 -2474 5.98691738 -0.00268009 -0.00267563 -2475 5.98929786 -0.00267373 -0.00266825 -2476 5.99167834 -0.00266738 -0.00266091 -2477 5.99405881 -0.00266106 -0.00265358 -2478 5.99643929 -0.00265475 -0.00264628 -2479 5.99881976 -0.00264846 -0.00263899 -2480 6.00120024 -0.00264219 -0.00263174 -2481 6.00358072 -0.00263593 -0.00262450 -2482 6.00596119 -0.00262969 -0.00261729 -2483 6.00834167 -0.00262347 -0.00261010 -2484 6.01072214 -0.00261727 -0.00260293 -2485 6.01310262 -0.00261108 -0.00259578 -2486 6.01548310 -0.00260491 -0.00258866 -2487 6.01786357 -0.00259875 -0.00258156 -2488 6.02024405 -0.00259262 -0.00257448 -2489 6.02262452 -0.00258650 -0.00256742 -2490 6.02500500 -0.00258039 -0.00256039 -2491 6.02738548 -0.00257431 -0.00255337 -2492 6.02976595 -0.00256824 -0.00254638 -2493 6.03214643 -0.00256218 -0.00253941 -2494 6.03452691 -0.00255615 -0.00253246 -2495 6.03690738 -0.00255013 -0.00252554 -2496 6.03928786 -0.00254412 -0.00251863 -2497 6.04166833 -0.00253813 -0.00251175 -2498 6.04404881 -0.00253216 -0.00250488 -2499 6.04642929 -0.00252621 -0.00249804 -2500 6.04880976 -0.00252027 -0.00249122 -2501 6.05119024 -0.00251435 -0.00248442 -2502 6.05357071 -0.00250844 -0.00247765 -2503 6.05595119 -0.00250255 -0.00247089 -2504 6.05833167 -0.00249668 -0.00246415 -2505 6.06071214 -0.00249082 -0.00245744 -2506 6.06309262 -0.00248498 -0.00245074 -2507 6.06547309 -0.00247915 -0.00244407 -2508 6.06785357 -0.00247334 -0.00243742 -2509 6.07023405 -0.00246755 -0.00243078 -2510 6.07261452 -0.00246177 -0.00242417 -2511 6.07499500 -0.00245601 -0.00241758 -2512 6.07737548 -0.00245026 -0.00241101 -2513 6.07975595 -0.00244453 -0.00240446 -2514 6.08213643 -0.00243881 -0.00239793 -2515 6.08451690 -0.00243311 -0.00239142 -2516 6.08689738 -0.00242743 -0.00238492 -2517 6.08927786 -0.00242176 -0.00237845 -2518 6.09165833 -0.00241610 -0.00237200 -2519 6.09403881 -0.00241046 -0.00236557 -2520 6.09641928 -0.00240484 -0.00235916 -2521 6.09879976 -0.00239923 -0.00235277 -2522 6.10118024 -0.00239364 -0.00234640 -2523 6.10356071 -0.00238806 -0.00234004 -2524 6.10594119 -0.00238250 -0.00233371 -2525 6.10832166 -0.00237695 -0.00232740 -2526 6.11070214 -0.00237142 -0.00232110 -2527 6.11308262 -0.00236590 -0.00231483 -2528 6.11546309 -0.00236040 -0.00230857 -2529 6.11784357 -0.00235491 -0.00230234 -2530 6.12022404 -0.00234944 -0.00229612 -2531 6.12260452 -0.00234398 -0.00228992 -2532 6.12498500 -0.00233853 -0.00228374 -2533 6.12736547 -0.00233310 -0.00227758 -2534 6.12974595 -0.00232769 -0.00227144 -2535 6.13212643 -0.00232229 -0.00226532 -2536 6.13450690 -0.00231690 -0.00225922 -2537 6.13688738 -0.00231153 -0.00225313 -2538 6.13926785 -0.00230618 -0.00224706 -2539 6.14164833 -0.00230084 -0.00224102 -2540 6.14402881 -0.00229551 -0.00223499 -2541 6.14640928 -0.00229020 -0.00222898 -2542 6.14878976 -0.00228490 -0.00222298 -2543 6.15117023 -0.00227961 -0.00221701 -2544 6.15355071 -0.00227434 -0.00221105 -2545 6.15593119 -0.00226909 -0.00220511 -2546 6.15831166 -0.00226384 -0.00219919 -2547 6.16069214 -0.00225861 -0.00219329 -2548 6.16307261 -0.00225340 -0.00218741 -2549 6.16545309 -0.00224820 -0.00218154 -2550 6.16783357 -0.00224301 -0.00217569 -2551 6.17021404 -0.00223784 -0.00216986 -2552 6.17259452 -0.00223268 -0.00216405 -2553 6.17497499 -0.00222754 -0.00215826 -2554 6.17735547 -0.00222241 -0.00215248 -2555 6.17973595 -0.00221729 -0.00214672 -2556 6.18211642 -0.00221219 -0.00214098 -2557 6.18449690 -0.00220710 -0.00213525 -2558 6.18687738 -0.00220202 -0.00212954 -2559 6.18925785 -0.00219696 -0.00212385 -2560 6.19163833 -0.00219191 -0.00211818 -2561 6.19401880 -0.00218688 -0.00211253 -2562 6.19639928 -0.00218185 -0.00210689 -2563 6.19877976 -0.00217684 -0.00210127 -2564 6.20116023 -0.00217185 -0.00209566 -2565 6.20354071 -0.00216687 -0.00209007 -2566 6.20592118 -0.00216190 -0.00208450 -2567 6.20830166 -0.00215694 -0.00207895 -2568 6.21068214 -0.00215200 -0.00207341 -2569 6.21306261 -0.00214707 -0.00206789 -2570 6.21544309 -0.00214216 -0.00206239 -2571 6.21782356 -0.00213725 -0.00205690 -2572 6.22020404 -0.00213236 -0.00205143 -2573 6.22258452 -0.00212749 -0.00204598 -2574 6.22496499 -0.00212262 -0.00204054 -2575 6.22734547 -0.00211777 -0.00203512 -2576 6.22972595 -0.00211293 -0.00202972 -2577 6.23210642 -0.00210811 -0.00202433 -2578 6.23448690 -0.00210329 -0.00201896 -2579 6.23686737 -0.00209849 -0.00201360 -2580 6.23924785 -0.00209371 -0.00200826 -2581 6.24162833 -0.00208893 -0.00200294 -2582 6.24400880 -0.00208417 -0.00199763 -2583 6.24638928 -0.00207942 -0.00199234 -2584 6.24876975 -0.00207469 -0.00198706 -2585 6.25115023 -0.00206996 -0.00198180 -2586 6.25353071 -0.00206525 -0.00197656 -2587 6.25591118 -0.00206055 -0.00197133 -2588 6.25829166 -0.00205587 -0.00196612 -2589 6.26067213 -0.00205119 -0.00196092 -2590 6.26305261 -0.00204653 -0.00195574 -2591 6.26543309 -0.00204188 -0.00195057 -2592 6.26781356 -0.00203724 -0.00194542 -2593 6.27019404 -0.00203262 -0.00194029 -2594 6.27257451 -0.00202801 -0.00193517 -2595 6.27495499 -0.00202341 -0.00193007 -2596 6.27733547 -0.00201882 -0.00192498 -2597 6.27971594 -0.00201424 -0.00191990 -2598 6.28209642 -0.00200968 -0.00191485 -2599 6.28447690 -0.00200512 -0.00190980 -2600 6.28685737 -0.00200058 -0.00190478 -2601 6.28923785 -0.00199606 -0.00189976 -2602 6.29161832 -0.00199154 -0.00189476 -2603 6.29399880 -0.00198703 -0.00188978 -2604 6.29637928 -0.00198254 -0.00188481 -2605 6.29875975 -0.00197806 -0.00187986 -2606 6.30114023 -0.00197359 -0.00187492 -2607 6.30352070 -0.00196913 -0.00187000 -2608 6.30590118 -0.00196469 -0.00186509 -2609 6.30828166 -0.00196026 -0.00186019 -2610 6.31066213 -0.00195583 -0.00185531 -2611 6.31304261 -0.00195142 -0.00185045 -2612 6.31542308 -0.00194702 -0.00184560 -2613 6.31780356 -0.00194264 -0.00184076 -2614 6.32018404 -0.00193826 -0.00183594 -2615 6.32256451 -0.00193389 -0.00183113 -2616 6.32494499 -0.00192954 -0.00182634 -2617 6.32732547 -0.00192520 -0.00182156 -2618 6.32970594 -0.00192087 -0.00181680 -2619 6.33208642 -0.00191655 -0.00181205 -2620 6.33446689 -0.00191224 -0.00180731 -2621 6.33684737 -0.00190794 -0.00180259 -2622 6.33922785 -0.00190366 -0.00179788 -2623 6.34160832 -0.00189939 -0.00179318 -2624 6.34398880 -0.00189512 -0.00178850 -2625 6.34636927 -0.00189087 -0.00178384 -2626 6.34874975 -0.00188663 -0.00177918 -2627 6.35113023 -0.00188240 -0.00177454 -2628 6.35351070 -0.00187818 -0.00176992 -2629 6.35589118 -0.00187397 -0.00176531 -2630 6.35827165 -0.00186978 -0.00176071 -2631 6.36065213 -0.00186559 -0.00175613 -2632 6.36303261 -0.00186142 -0.00175156 -2633 6.36541308 -0.00185725 -0.00174700 -2634 6.36779356 -0.00185310 -0.00174245 -2635 6.37017403 -0.00184896 -0.00173792 -2636 6.37255451 -0.00184482 -0.00173341 -2637 6.37493499 -0.00184070 -0.00172890 -2638 6.37731546 -0.00183659 -0.00172441 -2639 6.37969594 -0.00183249 -0.00171994 -2640 6.38207642 -0.00182840 -0.00171547 -2641 6.38445689 -0.00182433 -0.00171102 -2642 6.38683737 -0.00182026 -0.00170658 -2643 6.38921784 -0.00181620 -0.00170216 -2644 6.39159832 -0.00181215 -0.00169775 -2645 6.39397880 -0.00180812 -0.00169335 -2646 6.39635927 -0.00180409 -0.00168897 -2647 6.39873975 -0.00180008 -0.00168459 -2648 6.40112022 -0.00179607 -0.00168023 -2649 6.40350070 -0.00179208 -0.00167589 -2650 6.40588118 -0.00178809 -0.00167155 -2651 6.40826165 -0.00178412 -0.00166723 -2652 6.41064213 -0.00178016 -0.00166292 -2653 6.41302260 -0.00177620 -0.00165863 -2654 6.41540308 -0.00177226 -0.00165434 -2655 6.41778356 -0.00176833 -0.00165007 -2656 6.42016403 -0.00176440 -0.00164582 -2657 6.42254451 -0.00176049 -0.00164157 -2658 6.42492498 -0.00175659 -0.00163734 -2659 6.42730546 -0.00175269 -0.00163312 -2660 6.42968594 -0.00174881 -0.00162891 -2661 6.43206641 -0.00174494 -0.00162471 -2662 6.43444689 -0.00174108 -0.00162053 -2663 6.43682737 -0.00173722 -0.00161636 -2664 6.43920784 -0.00173338 -0.00161220 -2665 6.44158832 -0.00172955 -0.00160805 -2666 6.44396879 -0.00172573 -0.00160391 -2667 6.44634927 -0.00172191 -0.00159979 -2668 6.44872975 -0.00171811 -0.00159568 -2669 6.45111022 -0.00171432 -0.00159158 -2670 6.45349070 -0.00171053 -0.00158749 -2671 6.45587117 -0.00170676 -0.00158342 -2672 6.45825165 -0.00170299 -0.00157936 -2673 6.46063213 -0.00169924 -0.00157531 -2674 6.46301260 -0.00169549 -0.00157127 -2675 6.46539308 -0.00169176 -0.00156724 -2676 6.46777355 -0.00168803 -0.00156322 -2677 6.47015403 -0.00168432 -0.00155922 -2678 6.47253451 -0.00168061 -0.00155523 -2679 6.47491498 -0.00167691 -0.00155125 -2680 6.47729546 -0.00167322 -0.00154728 -2681 6.47967594 -0.00166954 -0.00154332 -2682 6.48205641 -0.00166588 -0.00153937 -2683 6.48443689 -0.00166222 -0.00153544 -2684 6.48681736 -0.00165857 -0.00153151 -2685 6.48919784 -0.00165492 -0.00152760 -2686 6.49157832 -0.00165129 -0.00152370 -2687 6.49395879 -0.00164767 -0.00151981 -2688 6.49633927 -0.00164406 -0.00151593 -2689 6.49871974 -0.00164045 -0.00151207 -2690 6.50110022 -0.00163686 -0.00150821 -2691 6.50348070 -0.00163327 -0.00150437 -2692 6.50586117 -0.00162970 -0.00150054 -2693 6.50824165 -0.00162613 -0.00149671 -2694 6.51062212 -0.00162257 -0.00149290 -2695 6.51300260 -0.00161902 -0.00148910 -2696 6.51538308 -0.00161548 -0.00148531 -2697 6.51776355 -0.00161195 -0.00148154 -2698 6.52014403 -0.00160843 -0.00147777 -2699 6.52252450 -0.00160491 -0.00147401 -2700 6.52490498 -0.00160141 -0.00147027 -2701 6.52728546 -0.00159791 -0.00146653 -2702 6.52966593 -0.00159443 -0.00146281 -2703 6.53204641 -0.00159095 -0.00145910 -2704 6.53442689 -0.00158748 -0.00145540 -2705 6.53680736 -0.00158402 -0.00145170 -2706 6.53918784 -0.00158057 -0.00144802 -2707 6.54156831 -0.00157713 -0.00144435 -2708 6.54394879 -0.00157369 -0.00144069 -2709 6.54632927 -0.00157027 -0.00143704 -2710 6.54870974 -0.00156685 -0.00143341 -2711 6.55109022 -0.00156344 -0.00142978 -2712 6.55347069 -0.00156004 -0.00142616 -2713 6.55585117 -0.00155665 -0.00142255 -2714 6.55823165 -0.00155327 -0.00141896 -2715 6.56061212 -0.00154990 -0.00141537 -2716 6.56299260 -0.00154653 -0.00141179 -2717 6.56537307 -0.00154318 -0.00140823 -2718 6.56775355 -0.00153983 -0.00140467 -2719 6.57013403 -0.00153649 -0.00140113 -2720 6.57251450 -0.00153316 -0.00139759 -2721 6.57489498 -0.00152983 -0.00139407 -2722 6.57727546 -0.00152652 -0.00139055 -2723 6.57965593 -0.00152321 -0.00138705 -2724 6.58203641 -0.00151992 -0.00138355 -2725 6.58441688 -0.00151663 -0.00138007 -2726 6.58679736 -0.00151335 -0.00137659 -2727 6.58917784 -0.00151007 -0.00137313 -2728 6.59155831 -0.00150681 -0.00136967 -2729 6.59393879 -0.00150355 -0.00136623 -2730 6.59631926 -0.00150030 -0.00136279 -2731 6.59869974 -0.00149706 -0.00135937 -2732 6.60108022 -0.00149383 -0.00135595 -2733 6.60346069 -0.00149061 -0.00135255 -2734 6.60584117 -0.00148739 -0.00134915 -2735 6.60822164 -0.00148418 -0.00134576 -2736 6.61060212 -0.00148099 -0.00134239 -2737 6.61298260 -0.00147779 -0.00133902 -2738 6.61536307 -0.00147461 -0.00133566 -2739 6.61774355 -0.00147143 -0.00133232 -2740 6.62012402 -0.00146827 -0.00132898 -2741 6.62250450 -0.00146511 -0.00132565 -2742 6.62488498 -0.00146196 -0.00132233 -2743 6.62726545 -0.00145881 -0.00131902 -2744 6.62964593 -0.00145568 -0.00131572 -2745 6.63202641 -0.00145255 -0.00131243 -2746 6.63440688 -0.00144943 -0.00130915 -2747 6.63678736 -0.00144631 -0.00130587 -2748 6.63916783 -0.00144321 -0.00130261 -2749 6.64154831 -0.00144011 -0.00129936 -2750 6.64392879 -0.00143702 -0.00129611 -2751 6.64630926 -0.00143394 -0.00129288 -2752 6.64868974 -0.00143087 -0.00128965 -2753 6.65107021 -0.00142780 -0.00128644 -2754 6.65345069 -0.00142474 -0.00128323 -2755 6.65583117 -0.00142169 -0.00128003 -2756 6.65821164 -0.00141865 -0.00127684 -2757 6.66059212 -0.00141561 -0.00127366 -2758 6.66297259 -0.00141259 -0.00127049 -2759 6.66535307 -0.00140957 -0.00126733 -2760 6.66773355 -0.00140655 -0.00126417 -2761 6.67011402 -0.00140355 -0.00126103 -2762 6.67249450 -0.00140055 -0.00125789 -2763 6.67487497 -0.00139756 -0.00125477 -2764 6.67725545 -0.00139457 -0.00125165 -2765 6.67963593 -0.00139160 -0.00124854 -2766 6.68201640 -0.00138863 -0.00124544 -2767 6.68439688 -0.00138567 -0.00124235 -2768 6.68677736 -0.00138272 -0.00123926 -2769 6.68915783 -0.00137977 -0.00123619 -2770 6.69153831 -0.00137683 -0.00123312 -2771 6.69391878 -0.00137390 -0.00123007 -2772 6.69629926 -0.00137097 -0.00122702 -2773 6.69867974 -0.00136806 -0.00122398 -2774 6.70106021 -0.00136515 -0.00122095 -2775 6.70344069 -0.00136224 -0.00121793 -2776 6.70582116 -0.00135935 -0.00121491 -2777 6.70820164 -0.00135646 -0.00121191 -2778 6.71058212 -0.00135358 -0.00120891 -2779 6.71296259 -0.00135070 -0.00120592 -2780 6.71534307 -0.00134784 -0.00120294 -2781 6.71772354 -0.00134498 -0.00119997 -2782 6.72010402 -0.00134212 -0.00119701 -2783 6.72248450 -0.00133928 -0.00119405 -2784 6.72486497 -0.00133644 -0.00119111 -2785 6.72724545 -0.00133361 -0.00118817 -2786 6.72962593 -0.00133078 -0.00118524 -2787 6.73200640 -0.00132796 -0.00118232 -2788 6.73438688 -0.00132515 -0.00117940 -2789 6.73676735 -0.00132235 -0.00117650 -2790 6.73914783 -0.00131955 -0.00117360 -2791 6.74152831 -0.00131676 -0.00117071 -2792 6.74390878 -0.00131398 -0.00116783 -2793 6.74628926 -0.00131120 -0.00116496 -2794 6.74866973 -0.00130843 -0.00116209 -2795 6.75105021 -0.00130567 -0.00115923 -2796 6.75343069 -0.00130291 -0.00115638 -2797 6.75581116 -0.00130016 -0.00115354 -2798 6.75819164 -0.00129742 -0.00115071 -2799 6.76057211 -0.00129469 -0.00114788 -2800 6.76295259 -0.00129196 -0.00114507 -2801 6.76533307 -0.00128923 -0.00114226 -2802 6.76771354 -0.00128652 -0.00113946 -2803 6.77009402 -0.00128381 -0.00113666 -2804 6.77247449 -0.00128111 -0.00113388 -2805 6.77485497 -0.00127841 -0.00113110 -2806 6.77723545 -0.00127572 -0.00112833 -2807 6.77961592 -0.00127304 -0.00112557 -2808 6.78199640 -0.00127036 -0.00112281 -2809 6.78437688 -0.00126769 -0.00112006 -2810 6.78675735 -0.00126503 -0.00111732 -2811 6.78913783 -0.00126237 -0.00111459 -2812 6.79151830 -0.00125972 -0.00111187 -2813 6.79389878 -0.00125708 -0.00110915 -2814 6.79627926 -0.00125444 -0.00110644 -2815 6.79865973 -0.00125181 -0.00110374 -2816 6.80104021 -0.00124919 -0.00110105 -2817 6.80342068 -0.00124657 -0.00109836 -2818 6.80580116 -0.00124396 -0.00109568 -2819 6.80818164 -0.00124135 -0.00109301 -2820 6.81056211 -0.00123875 -0.00109034 -2821 6.81294259 -0.00123616 -0.00108769 -2822 6.81532306 -0.00123358 -0.00108504 -2823 6.81770354 -0.00123100 -0.00108239 -2824 6.82008402 -0.00122842 -0.00107976 -2825 6.82246449 -0.00122586 -0.00107713 -2826 6.82484497 -0.00122329 -0.00107451 -2827 6.82722545 -0.00122074 -0.00107190 -2828 6.82960592 -0.00121819 -0.00106929 -2829 6.83198640 -0.00121565 -0.00106669 -2830 6.83436687 -0.00121311 -0.00106410 -2831 6.83674735 -0.00121058 -0.00106152 -2832 6.83912783 -0.00120806 -0.00105894 -2833 6.84150830 -0.00120554 -0.00105637 -2834 6.84388878 -0.00120303 -0.00105381 -2835 6.84626925 -0.00120052 -0.00105125 -2836 6.84864973 -0.00119802 -0.00104870 -2837 6.85103021 -0.00119553 -0.00104616 -2838 6.85341068 -0.00119304 -0.00104363 -2839 6.85579116 -0.00119056 -0.00104110 -2840 6.85817163 -0.00118809 -0.00103858 -2841 6.86055211 -0.00118562 -0.00103607 -2842 6.86293259 -0.00118315 -0.00103356 -2843 6.86531306 -0.00118070 -0.00103106 -2844 6.86769354 -0.00117825 -0.00102857 -2845 6.87007401 -0.00117580 -0.00102608 -2846 6.87245449 -0.00117336 -0.00102360 -2847 6.87483497 -0.00117093 -0.00102113 -2848 6.87721544 -0.00116850 -0.00101866 -2849 6.87959592 -0.00116608 -0.00101620 -2850 6.88197640 -0.00116366 -0.00101375 -2851 6.88435687 -0.00116125 -0.00101131 -2852 6.88673735 -0.00115885 -0.00100887 -2853 6.88911782 -0.00115645 -0.00100644 -2854 6.89149830 -0.00115405 -0.00100401 -2855 6.89387878 -0.00115167 -0.00100159 -2856 6.89625925 -0.00114929 -0.00099918 -2857 6.89863973 -0.00114691 -0.00099677 -2858 6.90102020 -0.00114454 -0.00099438 -2859 6.90340068 -0.00114218 -0.00099198 -2860 6.90578116 -0.00113982 -0.00098960 -2861 6.90816163 -0.00113747 -0.00098722 -2862 6.91054211 -0.00113512 -0.00098485 -2863 6.91292258 -0.00113278 -0.00098248 -2864 6.91530306 -0.00113044 -0.00098012 -2865 6.91768354 -0.00112811 -0.00097777 -2866 6.92006401 -0.00112579 -0.00097542 -2867 6.92244449 -0.00112347 -0.00097308 -2868 6.92482496 -0.00112115 -0.00097075 -2869 6.92720544 -0.00111884 -0.00096842 -2870 6.92958592 -0.00111654 -0.00096610 -2871 6.93196639 -0.00111424 -0.00096378 -2872 6.93434687 -0.00111195 -0.00096147 -2873 6.93672735 -0.00110967 -0.00095917 -2874 6.93910782 -0.00110739 -0.00095688 -2875 6.94148830 -0.00110511 -0.00095459 -2876 6.94386877 -0.00110284 -0.00095230 -2877 6.94624925 -0.00110058 -0.00095003 -2878 6.94862973 -0.00109832 -0.00094775 -2879 6.95101020 -0.00109607 -0.00094549 -2880 6.95339068 -0.00109382 -0.00094323 -2881 6.95577115 -0.00109157 -0.00094098 -2882 6.95815163 -0.00108934 -0.00093873 -2883 6.96053211 -0.00108711 -0.00093649 -2884 6.96291258 -0.00108488 -0.00093426 -2885 6.96529306 -0.00108266 -0.00093203 -2886 6.96767353 -0.00108044 -0.00092981 -2887 6.97005401 -0.00107823 -0.00092759 -2888 6.97243449 -0.00107603 -0.00092538 -2889 6.97481496 -0.00107383 -0.00092318 -2890 6.97719544 -0.00107163 -0.00092098 -2891 6.97957592 -0.00106944 -0.00091879 -2892 6.98195639 -0.00106726 -0.00091660 -2893 6.98433687 -0.00106508 -0.00091442 -2894 6.98671734 -0.00106290 -0.00091225 -2895 6.98909782 -0.00106073 -0.00091008 -2896 6.99147830 -0.00105857 -0.00090792 -2897 6.99385877 -0.00105641 -0.00090576 -2898 6.99623925 -0.00105426 -0.00090361 -2899 6.99861972 -0.00105211 -0.00090146 -2900 7.00100020 -0.00104997 -0.00089933 -2901 7.00338068 -0.00104783 -0.00089719 -2902 7.00576115 -0.00104569 -0.00089506 -2903 7.00814163 -0.00104357 -0.00089294 -2904 7.01052210 -0.00104144 -0.00089083 -2905 7.01290258 -0.00103932 -0.00088872 -2906 7.01528306 -0.00103721 -0.00088661 -2907 7.01766353 -0.00103510 -0.00088451 -2908 7.02004401 -0.00103300 -0.00088242 -2909 7.02242448 -0.00103090 -0.00088033 -2910 7.02480496 -0.00102881 -0.00087825 -2911 7.02718544 -0.00102672 -0.00087617 -2912 7.02956591 -0.00102464 -0.00087410 -2913 7.03194639 -0.00102256 -0.00087204 -2914 7.03432687 -0.00102049 -0.00086998 -2915 7.03670734 -0.00101842 -0.00086792 -2916 7.03908782 -0.00101635 -0.00086587 -2917 7.04146829 -0.00101430 -0.00086383 -2918 7.04384877 -0.00101224 -0.00086179 -2919 7.04622925 -0.00101019 -0.00085976 -2920 7.04860972 -0.00100815 -0.00085773 -2921 7.05099020 -0.00100611 -0.00085571 -2922 7.05337067 -0.00100407 -0.00085370 -2923 7.05575115 -0.00100204 -0.00085169 -2924 7.05813163 -0.00100002 -0.00084968 -2925 7.06051210 -0.00099800 -0.00084768 -2926 7.06289258 -0.00099598 -0.00084569 -2927 7.06527305 -0.00099397 -0.00084370 -2928 7.06765353 -0.00099197 -0.00084172 -2929 7.07003401 -0.00098997 -0.00083974 -2930 7.07241448 -0.00098797 -0.00083776 -2931 7.07479496 -0.00098598 -0.00083580 -2932 7.07717544 -0.00098399 -0.00083383 -2933 7.07955591 -0.00098201 -0.00083188 -2934 7.08193639 -0.00098003 -0.00082992 -2935 7.08431686 -0.00097806 -0.00082798 -2936 7.08669734 -0.00097609 -0.00082604 -2937 7.08907782 -0.00097412 -0.00082410 -2938 7.09145829 -0.00097216 -0.00082217 -2939 7.09383877 -0.00097021 -0.00082024 -2940 7.09621924 -0.00096826 -0.00081832 -2941 7.09859972 -0.00096631 -0.00081641 -2942 7.10098020 -0.00096437 -0.00081450 -2943 7.10336067 -0.00096243 -0.00081259 -2944 7.10574115 -0.00096050 -0.00081069 -2945 7.10812162 -0.00095858 -0.00080879 -2946 7.11050210 -0.00095665 -0.00080690 -2947 7.11288258 -0.00095473 -0.00080502 -2948 7.11526305 -0.00095282 -0.00080314 -2949 7.11764353 -0.00095091 -0.00080126 -2950 7.12002400 -0.00094900 -0.00079939 -2951 7.12240448 -0.00094710 -0.00079753 -2952 7.12478496 -0.00094521 -0.00079567 -2953 7.12716543 -0.00094332 -0.00079381 -2954 7.12954591 -0.00094143 -0.00079196 -2955 7.13192639 -0.00093955 -0.00079012 -2956 7.13430686 -0.00093767 -0.00078828 -2957 7.13668734 -0.00093579 -0.00078644 -2958 7.13906781 -0.00093392 -0.00078461 -2959 7.14144829 -0.00093206 -0.00078278 -2960 7.14382877 -0.00093020 -0.00078096 -2961 7.14620924 -0.00092834 -0.00077915 -2962 7.14858972 -0.00092649 -0.00077733 -2963 7.15097019 -0.00092464 -0.00077553 -2964 7.15335067 -0.00092279 -0.00077373 -2965 7.15573115 -0.00092095 -0.00077193 -2966 7.15811162 -0.00091912 -0.00077014 -2967 7.16049210 -0.00091729 -0.00076835 -2968 7.16287257 -0.00091546 -0.00076657 -2969 7.16525305 -0.00091364 -0.00076479 -2970 7.16763353 -0.00091182 -0.00076301 -2971 7.17001400 -0.00091001 -0.00076124 -2972 7.17239448 -0.00090820 -0.00075948 -2973 7.17477495 -0.00090639 -0.00075772 -2974 7.17715543 -0.00090459 -0.00075597 -2975 7.17953591 -0.00090279 -0.00075422 -2976 7.18191638 -0.00090100 -0.00075247 -2977 7.18429686 -0.00089921 -0.00075073 -2978 7.18667734 -0.00089742 -0.00074899 -2979 7.18905781 -0.00089564 -0.00074726 -2980 7.19143829 -0.00089387 -0.00074553 -2981 7.19381876 -0.00089209 -0.00074381 -2982 7.19619924 -0.00089032 -0.00074209 -2983 7.19857972 -0.00088856 -0.00074038 -2984 7.20096019 -0.00088680 -0.00073867 -2985 7.20334067 -0.00088504 -0.00073697 -2986 7.20572114 -0.00088329 -0.00073527 -2987 7.20810162 -0.00088154 -0.00073357 -2988 7.21048210 -0.00087980 -0.00073188 -2989 7.21286257 -0.00087806 -0.00073019 -2990 7.21524305 -0.00087632 -0.00072851 -2991 7.21762352 -0.00087459 -0.00072683 -2992 7.22000400 -0.00087286 -0.00072516 -2993 7.22238448 -0.00087114 -0.00072349 -2994 7.22476495 -0.00086942 -0.00072183 -2995 7.22714543 -0.00086770 -0.00072016 -2996 7.22952591 -0.00086599 -0.00071851 -2997 7.23190638 -0.00086428 -0.00071686 -2998 7.23428686 -0.00086257 -0.00071521 -2999 7.23666733 -0.00086087 -0.00071357 -3000 7.23904781 -0.00085918 -0.00071193 -3001 7.24142829 -0.00085748 -0.00071029 -3002 7.24380876 -0.00085580 -0.00070866 -3003 7.24618924 -0.00085411 -0.00070704 -3004 7.24856971 -0.00085243 -0.00070542 -3005 7.25095019 -0.00085075 -0.00070380 -3006 7.25333067 -0.00084908 -0.00070219 -3007 7.25571114 -0.00084741 -0.00070058 -3008 7.25809162 -0.00084574 -0.00069897 -3009 7.26047209 -0.00084408 -0.00069737 -3010 7.26285257 -0.00084242 -0.00069578 -3011 7.26523305 -0.00084077 -0.00069418 -3012 7.26761352 -0.00083912 -0.00069260 -3013 7.26999400 -0.00083747 -0.00069101 -3014 7.27237447 -0.00083583 -0.00068943 -3015 7.27475495 -0.00083419 -0.00068786 -3016 7.27713543 -0.00083255 -0.00068628 -3017 7.27951590 -0.00083092 -0.00068472 -3018 7.28189638 -0.00082929 -0.00068315 -3019 7.28427686 -0.00082767 -0.00068159 -3020 7.28665733 -0.00082605 -0.00068004 -3021 7.28903781 -0.00082443 -0.00067849 -3022 7.29141828 -0.00082282 -0.00067694 -3023 7.29379876 -0.00082121 -0.00067540 -3024 7.29617924 -0.00081960 -0.00067386 -3025 7.29855971 -0.00081800 -0.00067232 -3026 7.30094019 -0.00081640 -0.00067079 -3027 7.30332066 -0.00081481 -0.00066927 -3028 7.30570114 -0.00081322 -0.00066774 -3029 7.30808162 -0.00081163 -0.00066622 -3030 7.31046209 -0.00081004 -0.00066471 -3031 7.31284257 -0.00080846 -0.00066320 -3032 7.31522304 -0.00080689 -0.00066169 -3033 7.31760352 -0.00080531 -0.00066019 -3034 7.31998400 -0.00080374 -0.00065869 -3035 7.32236447 -0.00080218 -0.00065719 -3036 7.32474495 -0.00080061 -0.00065570 -3037 7.32712543 -0.00079906 -0.00065421 -3038 7.32950590 -0.00079750 -0.00065273 -3039 7.33188638 -0.00079595 -0.00065125 -3040 7.33426685 -0.00079440 -0.00064977 -3041 7.33664733 -0.00079285 -0.00064830 -3042 7.33902781 -0.00079131 -0.00064683 -3043 7.34140828 -0.00078977 -0.00064536 -3044 7.34378876 -0.00078824 -0.00064390 -3045 7.34616923 -0.00078671 -0.00064244 -3046 7.34854971 -0.00078518 -0.00064099 -3047 7.35093019 -0.00078366 -0.00063954 -3048 7.35331066 -0.00078214 -0.00063809 -3049 7.35569114 -0.00078062 -0.00063665 -3050 7.35807161 -0.00077911 -0.00063521 -3051 7.36045209 -0.00077760 -0.00063378 -3052 7.36283257 -0.00077609 -0.00063235 -3053 7.36521304 -0.00077458 -0.00063092 -3054 7.36759352 -0.00077308 -0.00062949 -3055 7.36997399 -0.00077159 -0.00062807 -3056 7.37235447 -0.00077009 -0.00062666 -3057 7.37473495 -0.00076860 -0.00062524 -3058 7.37711542 -0.00076712 -0.00062384 -3059 7.37949590 -0.00076563 -0.00062243 -3060 7.38187638 -0.00076415 -0.00062103 -3061 7.38425685 -0.00076268 -0.00061963 -3062 7.38663733 -0.00076120 -0.00061823 -3063 7.38901780 -0.00075973 -0.00061684 -3064 7.39139828 -0.00075827 -0.00061545 -3065 7.39377876 -0.00075680 -0.00061407 -3066 7.39615923 -0.00075534 -0.00061269 -3067 7.39853971 -0.00075389 -0.00061131 -3068 7.40092018 -0.00075243 -0.00060994 -3069 7.40330066 -0.00075098 -0.00060857 -3070 7.40568114 -0.00074954 -0.00060720 -3071 7.40806161 -0.00074809 -0.00060584 -3072 7.41044209 -0.00074665 -0.00060448 -3073 7.41282256 -0.00074521 -0.00060312 -3074 7.41520304 -0.00074378 -0.00060177 -3075 7.41758352 -0.00074235 -0.00060042 -3076 7.41996399 -0.00074092 -0.00059908 -3077 7.42234447 -0.00073950 -0.00059773 -3078 7.42472494 -0.00073808 -0.00059639 -3079 7.42710542 -0.00073666 -0.00059506 -3080 7.42948590 -0.00073524 -0.00059373 -3081 7.43186637 -0.00073383 -0.00059240 -3082 7.43424685 -0.00073242 -0.00059107 -3083 7.43662733 -0.00073102 -0.00058975 -3084 7.43900780 -0.00072961 -0.00058843 -3085 7.44138828 -0.00072822 -0.00058712 -3086 7.44376875 -0.00072682 -0.00058581 -3087 7.44614923 -0.00072543 -0.00058450 -3088 7.44852971 -0.00072404 -0.00058319 -3089 7.45091018 -0.00072265 -0.00058189 -3090 7.45329066 -0.00072127 -0.00058059 -3091 7.45567113 -0.00071989 -0.00057930 -3092 7.45805161 -0.00071851 -0.00057800 -3093 7.46043209 -0.00071713 -0.00057672 -3094 7.46281256 -0.00071576 -0.00057543 -3095 7.46519304 -0.00071439 -0.00057415 -3096 7.46757351 -0.00071303 -0.00057287 -3097 7.46995399 -0.00071167 -0.00057159 -3098 7.47233447 -0.00071031 -0.00057032 -3099 7.47471494 -0.00070895 -0.00056905 -3100 7.47709542 -0.00070760 -0.00056779 -3101 7.47947590 -0.00070625 -0.00056652 -3102 7.48185637 -0.00070490 -0.00056526 -3103 7.48423685 -0.00070356 -0.00056401 -3104 7.48661732 -0.00070222 -0.00056276 -3105 7.48899780 -0.00070088 -0.00056151 -3106 7.49137828 -0.00069954 -0.00056026 -3107 7.49375875 -0.00069821 -0.00055902 -3108 7.49613923 -0.00069688 -0.00055778 -3109 7.49851970 -0.00069555 -0.00055654 -3110 7.50090018 -0.00069423 -0.00055530 -3111 7.50328066 -0.00069291 -0.00055407 -3112 7.50566113 -0.00069159 -0.00055284 -3113 7.50804161 -0.00069028 -0.00055162 -3114 7.51042208 -0.00068897 -0.00055040 -3115 7.51280256 -0.00068766 -0.00054918 -3116 7.51518304 -0.00068635 -0.00054796 -3117 7.51756351 -0.00068505 -0.00054675 -3118 7.51994399 -0.00068375 -0.00054554 -3119 7.52232446 -0.00068245 -0.00054434 -3120 7.52470494 -0.00068116 -0.00054313 -3121 7.52708542 -0.00067987 -0.00054193 -3122 7.52946589 -0.00067858 -0.00054074 -3123 7.53184637 -0.00067729 -0.00053954 -3124 7.53422685 -0.00067601 -0.00053835 -3125 7.53660732 -0.00067473 -0.00053716 -3126 7.53898780 -0.00067345 -0.00053598 -3127 7.54136827 -0.00067218 -0.00053479 -3128 7.54374875 -0.00067091 -0.00053361 -3129 7.54612923 -0.00066964 -0.00053244 -3130 7.54850970 -0.00066837 -0.00053127 -3131 7.55089018 -0.00066711 -0.00053009 -3132 7.55327065 -0.00066585 -0.00052893 -3133 7.55565113 -0.00066459 -0.00052776 -3134 7.55803161 -0.00066333 -0.00052660 -3135 7.56041208 -0.00066208 -0.00052544 -3136 7.56279256 -0.00066083 -0.00052429 -3137 7.56517303 -0.00065959 -0.00052313 -3138 7.56755351 -0.00065834 -0.00052198 -3139 7.56993399 -0.00065710 -0.00052084 -3140 7.57231446 -0.00065586 -0.00051969 -3141 7.57469494 -0.00065463 -0.00051855 -3142 7.57707542 -0.00065339 -0.00051741 -3143 7.57945589 -0.00065216 -0.00051628 -3144 7.58183637 -0.00065094 -0.00051514 -3145 7.58421684 -0.00064971 -0.00051401 -3146 7.58659732 -0.00064849 -0.00051289 -3147 7.58897780 -0.00064727 -0.00051176 -3148 7.59135827 -0.00064605 -0.00051064 -3149 7.59373875 -0.00064484 -0.00050952 -3150 7.59611922 -0.00064363 -0.00050841 -3151 7.59849970 -0.00064242 -0.00050729 -3152 7.60088018 -0.00064121 -0.00050618 -3153 7.60326065 -0.00064001 -0.00050508 -3154 7.60564113 -0.00063881 -0.00050397 -3155 7.60802160 -0.00063761 -0.00050287 -3156 7.61040208 -0.00063641 -0.00050177 -3157 7.61278256 -0.00063522 -0.00050067 -3158 7.61516303 -0.00063403 -0.00049958 -3159 7.61754351 -0.00063284 -0.00049849 -3160 7.61992398 -0.00063166 -0.00049740 -3161 7.62230446 -0.00063047 -0.00049631 -3162 7.62468494 -0.00062929 -0.00049523 -3163 7.62706541 -0.00062811 -0.00049415 -3164 7.62944589 -0.00062694 -0.00049307 -3165 7.63182637 -0.00062577 -0.00049200 -3166 7.63420684 -0.00062460 -0.00049093 -3167 7.63658732 -0.00062343 -0.00048986 -3168 7.63896779 -0.00062227 -0.00048879 -3169 7.64134827 -0.00062110 -0.00048773 -3170 7.64372875 -0.00061994 -0.00048666 -3171 7.64610922 -0.00061879 -0.00048561 -3172 7.64848970 -0.00061763 -0.00048455 -3173 7.65087017 -0.00061648 -0.00048350 -3174 7.65325065 -0.00061533 -0.00048244 -3175 7.65563113 -0.00061418 -0.00048140 -3176 7.65801160 -0.00061304 -0.00048035 -3177 7.66039208 -0.00061190 -0.00047931 -3178 7.66277255 -0.00061076 -0.00047827 -3179 7.66515303 -0.00060962 -0.00047723 -3180 7.66753351 -0.00060848 -0.00047619 -3181 7.66991398 -0.00060735 -0.00047516 -3182 7.67229446 -0.00060622 -0.00047413 -3183 7.67467493 -0.00060509 -0.00047310 -3184 7.67705541 -0.00060397 -0.00047208 -3185 7.67943589 -0.00060285 -0.00047105 -3186 7.68181636 -0.00060173 -0.00047003 -3187 7.68419684 -0.00060061 -0.00046902 -3188 7.68657732 -0.00059949 -0.00046800 -3189 7.68895779 -0.00059838 -0.00046699 -3190 7.69133827 -0.00059727 -0.00046598 -3191 7.69371874 -0.00059616 -0.00046497 -3192 7.69609922 -0.00059506 -0.00046396 -3193 7.69847970 -0.00059395 -0.00046296 -3194 7.70086017 -0.00059285 -0.00046196 -3195 7.70324065 -0.00059175 -0.00046096 -3196 7.70562112 -0.00059066 -0.00045997 -3197 7.70800160 -0.00058956 -0.00045898 -3198 7.71038208 -0.00058847 -0.00045798 -3199 7.71276255 -0.00058738 -0.00045700 -3200 7.71514303 -0.00058630 -0.00045601 -3201 7.71752350 -0.00058521 -0.00045503 -3202 7.71990398 -0.00058413 -0.00045405 -3203 7.72228446 -0.00058305 -0.00045307 -3204 7.72466493 -0.00058197 -0.00045209 -3205 7.72704541 -0.00058090 -0.00045112 -3206 7.72942589 -0.00057983 -0.00045015 -3207 7.73180636 -0.00057875 -0.00044918 -3208 7.73418684 -0.00057769 -0.00044821 -3209 7.73656731 -0.00057662 -0.00044725 -3210 7.73894779 -0.00057556 -0.00044629 -3211 7.74132827 -0.00057450 -0.00044533 -3212 7.74370874 -0.00057344 -0.00044437 -3213 7.74608922 -0.00057238 -0.00044342 -3214 7.74846969 -0.00057133 -0.00044246 -3215 7.75085017 -0.00057027 -0.00044151 -3216 7.75323065 -0.00056922 -0.00044057 -3217 7.75561112 -0.00056818 -0.00043962 -3218 7.75799160 -0.00056713 -0.00043868 -3219 7.76037207 -0.00056609 -0.00043774 -3220 7.76275255 -0.00056505 -0.00043680 -3221 7.76513303 -0.00056401 -0.00043586 -3222 7.76751350 -0.00056297 -0.00043493 -3223 7.76989398 -0.00056194 -0.00043400 -3224 7.77227445 -0.00056091 -0.00043307 -3225 7.77465493 -0.00055988 -0.00043214 -3226 7.77703541 -0.00055885 -0.00043122 -3227 7.77941588 -0.00055782 -0.00043030 -3228 7.78179636 -0.00055680 -0.00042938 -3229 7.78417684 -0.00055578 -0.00042846 -3230 7.78655731 -0.00055476 -0.00042754 -3231 7.78893779 -0.00055374 -0.00042663 -3232 7.79131826 -0.00055273 -0.00042572 -3233 7.79369874 -0.00055172 -0.00042481 -3234 7.79607922 -0.00055071 -0.00042390 -3235 7.79845969 -0.00054970 -0.00042300 -3236 7.80084017 -0.00054869 -0.00042209 -3237 7.80322064 -0.00054769 -0.00042119 -3238 7.80560112 -0.00054669 -0.00042030 -3239 7.80798160 -0.00054569 -0.00041940 -3240 7.81036207 -0.00054469 -0.00041851 -3241 7.81274255 -0.00054369 -0.00041762 -3242 7.81512302 -0.00054270 -0.00041673 -3243 7.81750350 -0.00054171 -0.00041584 -3244 7.81988398 -0.00054072 -0.00041495 -3245 7.82226445 -0.00053974 -0.00041407 -3246 7.82464493 -0.00053875 -0.00041319 -3247 7.82702541 -0.00053777 -0.00041231 -3248 7.82940588 -0.00053679 -0.00041144 -3249 7.83178636 -0.00053581 -0.00041056 -3250 7.83416683 -0.00053483 -0.00040969 -3251 7.83654731 -0.00053386 -0.00040882 -3252 7.83892779 -0.00053289 -0.00040795 -3253 7.84130826 -0.00053192 -0.00040709 -3254 7.84368874 -0.00053095 -0.00040622 -3255 7.84606921 -0.00052998 -0.00040536 -3256 7.84844969 -0.00052902 -0.00040450 -3257 7.85083017 -0.00052806 -0.00040364 -3258 7.85321064 -0.00052710 -0.00040279 -3259 7.85559112 -0.00052614 -0.00040194 -3260 7.85797159 -0.00052518 -0.00040108 -3261 7.86035207 -0.00052423 -0.00040023 -3262 7.86273255 -0.00052328 -0.00039939 -3263 7.86511302 -0.00052233 -0.00039854 -3264 7.86749350 -0.00052138 -0.00039770 -3265 7.86987397 -0.00052043 -0.00039686 -3266 7.87225445 -0.00051949 -0.00039602 -3267 7.87463493 -0.00051855 -0.00039518 -3268 7.87701540 -0.00051761 -0.00039435 -3269 7.87939588 -0.00051667 -0.00039351 -3270 7.88177636 -0.00051574 -0.00039268 -3271 7.88415683 -0.00051480 -0.00039185 -3272 7.88653731 -0.00051387 -0.00039103 -3273 7.88891778 -0.00051294 -0.00039020 -3274 7.89129826 -0.00051201 -0.00038938 -3275 7.89367874 -0.00051109 -0.00038856 -3276 7.89605921 -0.00051016 -0.00038774 -3277 7.89843969 -0.00050924 -0.00038692 -3278 7.90082016 -0.00050832 -0.00038611 -3279 7.90320064 -0.00050740 -0.00038529 -3280 7.90558112 -0.00050649 -0.00038448 -3281 7.90796159 -0.00050557 -0.00038367 -3282 7.91034207 -0.00050466 -0.00038287 -3283 7.91272254 -0.00050375 -0.00038206 -3284 7.91510302 -0.00050284 -0.00038126 -3285 7.91748350 -0.00050193 -0.00038046 -3286 7.91986397 -0.00050103 -0.00037966 -3287 7.92224445 -0.00050013 -0.00037886 -3288 7.92462492 -0.00049923 -0.00037806 -3289 7.92700540 -0.00049833 -0.00037727 -3290 7.92938588 -0.00049743 -0.00037648 -3291 7.93176635 -0.00049653 -0.00037569 -3292 7.93414683 -0.00049564 -0.00037490 -3293 7.93652731 -0.00049475 -0.00037411 -3294 7.93890778 -0.00049386 -0.00037333 -3295 7.94128826 -0.00049297 -0.00037255 -3296 7.94366873 -0.00049209 -0.00037177 -3297 7.94604921 -0.00049120 -0.00037099 -3298 7.94842969 -0.00049032 -0.00037021 -3299 7.95081016 -0.00048944 -0.00036944 -3300 7.95319064 -0.00048856 -0.00036866 -3301 7.95557111 -0.00048768 -0.00036789 -3302 7.95795159 -0.00048681 -0.00036712 -3303 7.96033207 -0.00048594 -0.00036636 -3304 7.96271254 -0.00048507 -0.00036559 -3305 7.96509302 -0.00048420 -0.00036483 -3306 7.96747349 -0.00048333 -0.00036406 -3307 7.96985397 -0.00048246 -0.00036330 -3308 7.97223445 -0.00048160 -0.00036254 -3309 7.97461492 -0.00048074 -0.00036179 -3310 7.97699540 -0.00047988 -0.00036103 -3311 7.97937588 -0.00047902 -0.00036028 -3312 7.98175635 -0.00047816 -0.00035953 -3313 7.98413683 -0.00047731 -0.00035878 -3314 7.98651730 -0.00047645 -0.00035803 -3315 7.98889778 -0.00047560 -0.00035729 -3316 7.99127826 -0.00047475 -0.00035654 -3317 7.99365873 -0.00047390 -0.00035580 -3318 7.99603921 -0.00047306 -0.00035506 -3319 7.99841968 -0.00047221 -0.00035432 -3320 8.00080016 -0.00047137 -0.00035358 -3321 8.00318064 -0.00047053 -0.00035285 -3322 8.00556111 -0.00046969 -0.00035211 -3323 8.00794159 -0.00046885 -0.00035138 -3324 8.01032206 -0.00046802 -0.00035065 -3325 8.01270254 -0.00046718 -0.00034992 -3326 8.01508302 -0.00046635 -0.00034920 -3327 8.01746349 -0.00046552 -0.00034847 -3328 8.01984397 -0.00046469 -0.00034775 -3329 8.02222444 -0.00046387 -0.00034703 -3330 8.02460492 -0.00046304 -0.00034631 -3331 8.02698540 -0.00046222 -0.00034559 -3332 8.02936587 -0.00046140 -0.00034487 -3333 8.03174635 -0.00046058 -0.00034416 -3334 8.03412683 -0.00045976 -0.00034344 -3335 8.03650730 -0.00045894 -0.00034273 -3336 8.03888778 -0.00045813 -0.00034202 -3337 8.04126825 -0.00045731 -0.00034132 -3338 8.04364873 -0.00045650 -0.00034061 -3339 8.04602921 -0.00045569 -0.00033990 -3340 8.04840968 -0.00045488 -0.00033920 -3341 8.05079016 -0.00045408 -0.00033850 -3342 8.05317063 -0.00045327 -0.00033780 -3343 8.05555111 -0.00045247 -0.00033710 -3344 8.05793159 -0.00045167 -0.00033641 -3345 8.06031206 -0.00045087 -0.00033571 -3346 8.06269254 -0.00045007 -0.00033502 -3347 8.06507301 -0.00044927 -0.00033433 -3348 8.06745349 -0.00044848 -0.00033364 -3349 8.06983397 -0.00044768 -0.00033295 -3350 8.07221444 -0.00044689 -0.00033226 -3351 8.07459492 -0.00044610 -0.00033158 -3352 8.07697540 -0.00044531 -0.00033089 -3353 8.07935587 -0.00044452 -0.00033021 -3354 8.08173635 -0.00044374 -0.00032953 -3355 8.08411682 -0.00044296 -0.00032885 -3356 8.08649730 -0.00044217 -0.00032818 -3357 8.08887778 -0.00044139 -0.00032750 -3358 8.09125825 -0.00044061 -0.00032683 -3359 8.09363873 -0.00043984 -0.00032616 -3360 8.09601920 -0.00043906 -0.00032548 -3361 8.09839968 -0.00043829 -0.00032482 -3362 8.10078016 -0.00043752 -0.00032415 -3363 8.10316063 -0.00043674 -0.00032348 -3364 8.10554111 -0.00043598 -0.00032282 -3365 8.10792158 -0.00043521 -0.00032216 -3366 8.11030206 -0.00043444 -0.00032149 -3367 8.11268254 -0.00043368 -0.00032083 -3368 8.11506301 -0.00043291 -0.00032018 -3369 8.11744349 -0.00043215 -0.00031952 -3370 8.11982396 -0.00043139 -0.00031886 -3371 8.12220444 -0.00043063 -0.00031821 -3372 8.12458492 -0.00042988 -0.00031756 -3373 8.12696539 -0.00042912 -0.00031691 -3374 8.12934587 -0.00042837 -0.00031626 -3375 8.13172635 -0.00042762 -0.00031561 -3376 8.13410682 -0.00042687 -0.00031497 -3377 8.13648730 -0.00042612 -0.00031432 -3378 8.13886777 -0.00042537 -0.00031368 -3379 8.14124825 -0.00042462 -0.00031304 -3380 8.14362873 -0.00042388 -0.00031240 -3381 8.14600920 -0.00042314 -0.00031176 -3382 8.14838968 -0.00042240 -0.00031112 -3383 8.15077015 -0.00042166 -0.00031049 -3384 8.15315063 -0.00042092 -0.00030985 -3385 8.15553111 -0.00042018 -0.00030922 -3386 8.15791158 -0.00041944 -0.00030859 -3387 8.16029206 -0.00041871 -0.00030796 -3388 8.16267253 -0.00041798 -0.00030733 -3389 8.16505301 -0.00041725 -0.00030671 -3390 8.16743349 -0.00041652 -0.00030608 -3391 8.16981396 -0.00041579 -0.00030546 -3392 8.17219444 -0.00041506 -0.00030483 -3393 8.17457491 -0.00041434 -0.00030421 -3394 8.17695539 -0.00041362 -0.00030359 -3395 8.17933587 -0.00041289 -0.00030298 -3396 8.18171634 -0.00041217 -0.00030236 -3397 8.18409682 -0.00041145 -0.00030174 -3398 8.18647730 -0.00041074 -0.00030113 -3399 8.18885777 -0.00041002 -0.00030052 -3400 8.19123825 -0.00040931 -0.00029991 -3401 8.19361872 -0.00040859 -0.00029930 -3402 8.19599920 -0.00040788 -0.00029869 -3403 8.19837968 -0.00040717 -0.00029808 -3404 8.20076015 -0.00040646 -0.00029748 -3405 8.20314063 -0.00040575 -0.00029688 -3406 8.20552110 -0.00040505 -0.00029627 -3407 8.20790158 -0.00040434 -0.00029567 -3408 8.21028206 -0.00040364 -0.00029507 -3409 8.21266253 -0.00040294 -0.00029447 -3410 8.21504301 -0.00040224 -0.00029388 -3411 8.21742348 -0.00040154 -0.00029328 -3412 8.21980396 -0.00040084 -0.00029269 -3413 8.22218444 -0.00040015 -0.00029210 -3414 8.22456491 -0.00039945 -0.00029150 -3415 8.22694539 -0.00039876 -0.00029091 -3416 8.22932587 -0.00039807 -0.00029033 -3417 8.23170634 -0.00039738 -0.00028974 -3418 8.23408682 -0.00039669 -0.00028915 -3419 8.23646729 -0.00039600 -0.00028857 -3420 8.23884777 -0.00039531 -0.00028799 -3421 8.24122825 -0.00039463 -0.00028740 -3422 8.24360872 -0.00039395 -0.00028682 -3423 8.24598920 -0.00039326 -0.00028624 -3424 8.24836967 -0.00039258 -0.00028567 -3425 8.25075015 -0.00039190 -0.00028509 -3426 8.25313063 -0.00039123 -0.00028452 -3427 8.25551110 -0.00039055 -0.00028394 -3428 8.25789158 -0.00038987 -0.00028337 -3429 8.26027205 -0.00038920 -0.00028280 -3430 8.26265253 -0.00038853 -0.00028223 -3431 8.26503301 -0.00038786 -0.00028166 -3432 8.26741348 -0.00038719 -0.00028109 -3433 8.26979396 -0.00038652 -0.00028053 -3434 8.27217443 -0.00038585 -0.00027996 -3435 8.27455491 -0.00038518 -0.00027940 -3436 8.27693539 -0.00038452 -0.00027884 -3437 8.27931586 -0.00038386 -0.00027828 -3438 8.28169634 -0.00038320 -0.00027772 -3439 8.28407682 -0.00038253 -0.00027716 -3440 8.28645729 -0.00038188 -0.00027660 -3441 8.28883777 -0.00038122 -0.00027605 -3442 8.29121824 -0.00038056 -0.00027549 -3443 8.29359872 -0.00037991 -0.00027494 -3444 8.29597920 -0.00037925 -0.00027439 -3445 8.29835967 -0.00037860 -0.00027384 -3446 8.30074015 -0.00037795 -0.00027329 -3447 8.30312062 -0.00037730 -0.00027274 -3448 8.30550110 -0.00037665 -0.00027219 -3449 8.30788158 -0.00037600 -0.00027165 -3450 8.31026205 -0.00037536 -0.00027110 -3451 8.31264253 -0.00037471 -0.00027056 -3452 8.31502300 -0.00037407 -0.00027002 -3453 8.31740348 -0.00037343 -0.00026948 -3454 8.31978396 -0.00037279 -0.00026894 -3455 8.32216443 -0.00037215 -0.00026840 -3456 8.32454491 -0.00037151 -0.00026786 -3457 8.32692539 -0.00037087 -0.00026733 -3458 8.32930586 -0.00037024 -0.00026679 -3459 8.33168634 -0.00036960 -0.00026626 -3460 8.33406681 -0.00036897 -0.00026573 -3461 8.33644729 -0.00036834 -0.00026520 -3462 8.33882777 -0.00036771 -0.00026467 -3463 8.34120824 -0.00036708 -0.00026414 -3464 8.34358872 -0.00036645 -0.00026361 -3465 8.34596919 -0.00036582 -0.00026309 -3466 8.34834967 -0.00036520 -0.00026256 -3467 8.35073015 -0.00036457 -0.00026204 -3468 8.35311062 -0.00036395 -0.00026152 -3469 8.35549110 -0.00036333 -0.00026100 -3470 8.35787157 -0.00036270 -0.00026048 -3471 8.36025205 -0.00036209 -0.00025996 -3472 8.36263253 -0.00036147 -0.00025944 -3473 8.36501300 -0.00036085 -0.00025892 -3474 8.36739348 -0.00036023 -0.00025841 -3475 8.36977395 -0.00035962 -0.00025789 -3476 8.37215443 -0.00035901 -0.00025738 -3477 8.37453491 -0.00035839 -0.00025687 -3478 8.37691538 -0.00035778 -0.00025636 -3479 8.37929586 -0.00035717 -0.00025585 -3480 8.38167634 -0.00035657 -0.00025534 -3481 8.38405681 -0.00035596 -0.00025483 -3482 8.38643729 -0.00035535 -0.00025433 -3483 8.38881776 -0.00035475 -0.00025382 -3484 8.39119824 -0.00035414 -0.00025332 -3485 8.39357872 -0.00035354 -0.00025282 -3486 8.39595919 -0.00035294 -0.00025232 -3487 8.39833967 -0.00035234 -0.00025182 -3488 8.40072014 -0.00035174 -0.00025132 -3489 8.40310062 -0.00035114 -0.00025082 -3490 8.40548110 -0.00035055 -0.00025032 -3491 8.40786157 -0.00034995 -0.00024983 -3492 8.41024205 -0.00034936 -0.00024933 -3493 8.41262252 -0.00034876 -0.00024884 -3494 8.41500300 -0.00034817 -0.00024835 -3495 8.41738348 -0.00034758 -0.00024785 -3496 8.41976395 -0.00034699 -0.00024736 -3497 8.42214443 -0.00034640 -0.00024687 -3498 8.42452490 -0.00034582 -0.00024639 -3499 8.42690538 -0.00034523 -0.00024590 -3500 8.42928586 -0.00034465 -0.00024541 -3501 8.43166633 -0.00034406 -0.00024493 -3502 8.43404681 -0.00034348 -0.00024445 -3503 8.43642729 -0.00034290 -0.00024396 -3504 8.43880776 -0.00034232 -0.00024348 -3505 8.44118824 -0.00034174 -0.00024300 -3506 8.44356871 -0.00034116 -0.00024252 -3507 8.44594919 -0.00034059 -0.00024204 -3508 8.44832967 -0.00034001 -0.00024157 -3509 8.45071014 -0.00033944 -0.00024109 -3510 8.45309062 -0.00033886 -0.00024062 -3511 8.45547109 -0.00033829 -0.00024014 -3512 8.45785157 -0.00033772 -0.00023967 -3513 8.46023205 -0.00033715 -0.00023920 -3514 8.46261252 -0.00033658 -0.00023873 -3515 8.46499300 -0.00033601 -0.00023826 -3516 8.46737347 -0.00033545 -0.00023779 -3517 8.46975395 -0.00033488 -0.00023732 -3518 8.47213443 -0.00033432 -0.00023686 -3519 8.47451490 -0.00033375 -0.00023639 -3520 8.47689538 -0.00033319 -0.00023593 -3521 8.47927586 -0.00033263 -0.00023546 -3522 8.48165633 -0.00033207 -0.00023500 -3523 8.48403681 -0.00033151 -0.00023454 -3524 8.48641728 -0.00033095 -0.00023408 -3525 8.48879776 -0.00033040 -0.00023362 -3526 8.49117824 -0.00032984 -0.00023316 -3527 8.49355871 -0.00032929 -0.00023270 -3528 8.49593919 -0.00032873 -0.00023225 -3529 8.49831966 -0.00032818 -0.00023179 -3530 8.50070014 -0.00032763 -0.00023134 -3531 8.50308062 -0.00032708 -0.00023089 -3532 8.50546109 -0.00032653 -0.00023043 -3533 8.50784157 -0.00032598 -0.00022998 -3534 8.51022204 -0.00032544 -0.00022953 -3535 8.51260252 -0.00032489 -0.00022908 -3536 8.51498300 -0.00032434 -0.00022864 -3537 8.51736347 -0.00032380 -0.00022819 -3538 8.51974395 -0.00032326 -0.00022774 -3539 8.52212442 -0.00032272 -0.00022730 -3540 8.52450490 -0.00032218 -0.00022685 -3541 8.52688538 -0.00032164 -0.00022641 -3542 8.52926585 -0.00032110 -0.00022597 -3543 8.53164633 -0.00032056 -0.00022553 -3544 8.53402681 -0.00032002 -0.00022509 -3545 8.53640728 -0.00031949 -0.00022465 -3546 8.53878776 -0.00031895 -0.00022421 -3547 8.54116823 -0.00031842 -0.00022377 -3548 8.54354871 -0.00031789 -0.00022334 -3549 8.54592919 -0.00031736 -0.00022290 -3550 8.54830966 -0.00031683 -0.00022247 -3551 8.55069014 -0.00031630 -0.00022204 -3552 8.55307061 -0.00031577 -0.00022160 -3553 8.55545109 -0.00031524 -0.00022117 -3554 8.55783157 -0.00031472 -0.00022074 -3555 8.56021204 -0.00031419 -0.00022031 -3556 8.56259252 -0.00031367 -0.00021988 -3557 8.56497299 -0.00031315 -0.00021946 -3558 8.56735347 -0.00031262 -0.00021903 -3559 8.56973395 -0.00031210 -0.00021860 -3560 8.57211442 -0.00031158 -0.00021818 -3561 8.57449490 -0.00031106 -0.00021776 -3562 8.57687538 -0.00031055 -0.00021733 -3563 8.57925585 -0.00031003 -0.00021691 -3564 8.58163633 -0.00030951 -0.00021649 -3565 8.58401680 -0.00030900 -0.00021607 -3566 8.58639728 -0.00030849 -0.00021565 -3567 8.58877776 -0.00030797 -0.00021523 -3568 8.59115823 -0.00030746 -0.00021482 -3569 8.59353871 -0.00030695 -0.00021440 -3570 8.59591918 -0.00030644 -0.00021398 -3571 8.59829966 -0.00030593 -0.00021357 -3572 8.60068014 -0.00030542 -0.00021316 -3573 8.60306061 -0.00030492 -0.00021274 -3574 8.60544109 -0.00030441 -0.00021233 -3575 8.60782156 -0.00030391 -0.00021192 -3576 8.61020204 -0.00030340 -0.00021151 -3577 8.61258252 -0.00030290 -0.00021110 -3578 8.61496299 -0.00030240 -0.00021069 -3579 8.61734347 -0.00030190 -0.00021029 -3580 8.61972394 -0.00030140 -0.00020988 -3581 8.62210442 -0.00030090 -0.00020948 -3582 8.62448490 -0.00030040 -0.00020907 -3583 8.62686537 -0.00029990 -0.00020867 -3584 8.62924585 -0.00029940 -0.00020827 -3585 8.63162633 -0.00029891 -0.00020786 -3586 8.63400680 -0.00029841 -0.00020746 -3587 8.63638728 -0.00029792 -0.00020706 -3588 8.63876775 -0.00029743 -0.00020666 -3589 8.64114823 -0.00029694 -0.00020626 -3590 8.64352871 -0.00029645 -0.00020587 -3591 8.64590918 -0.00029596 -0.00020547 -3592 8.64828966 -0.00029547 -0.00020508 -3593 8.65067013 -0.00029498 -0.00020468 -3594 8.65305061 -0.00029449 -0.00020429 -3595 8.65543109 -0.00029401 -0.00020389 -3596 8.65781156 -0.00029352 -0.00020350 -3597 8.66019204 -0.00029304 -0.00020311 -3598 8.66257251 -0.00029256 -0.00020272 -3599 8.66495299 -0.00029207 -0.00020233 -3600 8.66733347 -0.00029159 -0.00020194 -3601 8.66971394 -0.00029111 -0.00020155 -3602 8.67209442 -0.00029063 -0.00020117 -3603 8.67447489 -0.00029016 -0.00020078 -3604 8.67685537 -0.00028968 -0.00020040 -3605 8.67923585 -0.00028920 -0.00020001 -3606 8.68161632 -0.00028873 -0.00019963 -3607 8.68399680 -0.00028825 -0.00019924 -3608 8.68637728 -0.00028778 -0.00019886 -3609 8.68875775 -0.00028730 -0.00019848 -3610 8.69113823 -0.00028683 -0.00019810 -3611 8.69351870 -0.00028636 -0.00019772 -3612 8.69589918 -0.00028589 -0.00019734 -3613 8.69827966 -0.00028542 -0.00019696 -3614 8.70066013 -0.00028495 -0.00019659 -3615 8.70304061 -0.00028449 -0.00019621 -3616 8.70542108 -0.00028402 -0.00019584 -3617 8.70780156 -0.00028355 -0.00019546 -3618 8.71018204 -0.00028309 -0.00019509 -3619 8.71256251 -0.00028262 -0.00019472 -3620 8.71494299 -0.00028216 -0.00019434 -3621 8.71732346 -0.00028170 -0.00019397 -3622 8.71970394 -0.00028124 -0.00019360 -3623 8.72208442 -0.00028078 -0.00019323 -3624 8.72446489 -0.00028032 -0.00019286 -3625 8.72684537 -0.00027986 -0.00019249 -3626 8.72922585 -0.00027940 -0.00019213 -3627 8.73160632 -0.00027894 -0.00019176 -3628 8.73398680 -0.00027849 -0.00019140 -3629 8.73636727 -0.00027803 -0.00019103 -3630 8.73874775 -0.00027758 -0.00019067 -3631 8.74112823 -0.00027713 -0.00019030 -3632 8.74350870 -0.00027667 -0.00018994 -3633 8.74588918 -0.00027622 -0.00018958 -3634 8.74826965 -0.00027577 -0.00018922 -3635 8.75065013 -0.00027532 -0.00018886 -3636 8.75303061 -0.00027487 -0.00018850 -3637 8.75541108 -0.00027442 -0.00018814 -3638 8.75779156 -0.00027398 -0.00018778 -3639 8.76017203 -0.00027353 -0.00018743 -3640 8.76255251 -0.00027308 -0.00018707 -3641 8.76493299 -0.00027264 -0.00018671 -3642 8.76731346 -0.00027219 -0.00018636 -3643 8.76969394 -0.00027175 -0.00018601 -3644 8.77207441 -0.00027131 -0.00018565 -3645 8.77445489 -0.00027087 -0.00018530 -3646 8.77683537 -0.00027043 -0.00018495 -3647 8.77921584 -0.00026999 -0.00018460 -3648 8.78159632 -0.00026955 -0.00018425 -3649 8.78397680 -0.00026911 -0.00018390 -3650 8.78635727 -0.00026867 -0.00018355 -3651 8.78873775 -0.00026824 -0.00018320 -3652 8.79111822 -0.00026780 -0.00018285 -3653 8.79349870 -0.00026736 -0.00018251 -3654 8.79587918 -0.00026693 -0.00018216 -3655 8.79825965 -0.00026650 -0.00018182 -3656 8.80064013 -0.00026606 -0.00018147 -3657 8.80302060 -0.00026563 -0.00018113 -3658 8.80540108 -0.00026520 -0.00018079 -3659 8.80778156 -0.00026477 -0.00018045 -3660 8.81016203 -0.00026434 -0.00018011 -3661 8.81254251 -0.00026392 -0.00017976 -3662 8.81492298 -0.00026349 -0.00017943 -3663 8.81730346 -0.00026306 -0.00017909 -3664 8.81968394 -0.00026263 -0.00017875 -3665 8.82206441 -0.00026221 -0.00017841 -3666 8.82444489 -0.00026179 -0.00017807 -3667 8.82682537 -0.00026136 -0.00017774 -3668 8.82920584 -0.00026094 -0.00017740 -3669 8.83158632 -0.00026052 -0.00017707 -3670 8.83396679 -0.00026010 -0.00017673 -3671 8.83634727 -0.00025968 -0.00017640 -3672 8.83872775 -0.00025926 -0.00017607 -3673 8.84110822 -0.00025884 -0.00017574 -3674 8.84348870 -0.00025842 -0.00017541 -3675 8.84586917 -0.00025800 -0.00017508 -3676 8.84824965 -0.00025759 -0.00017475 -3677 8.85063013 -0.00025717 -0.00017442 -3678 8.85301060 -0.00025676 -0.00017409 -3679 8.85539108 -0.00025634 -0.00017376 -3680 8.85777155 -0.00025593 -0.00017344 -3681 8.86015203 -0.00025552 -0.00017311 -3682 8.86253251 -0.00025510 -0.00017278 -3683 8.86491298 -0.00025469 -0.00017246 -3684 8.86729346 -0.00025428 -0.00017214 -3685 8.86967393 -0.00025387 -0.00017181 -3686 8.87205441 -0.00025347 -0.00017149 -3687 8.87443489 -0.00025306 -0.00017117 -3688 8.87681536 -0.00025265 -0.00017085 -3689 8.87919584 -0.00025224 -0.00017053 -3690 8.88157632 -0.00025184 -0.00017021 -3691 8.88395679 -0.00025143 -0.00016989 -3692 8.88633727 -0.00025103 -0.00016957 -3693 8.88871774 -0.00025063 -0.00016925 -3694 8.89109822 -0.00025022 -0.00016893 -3695 8.89347870 -0.00024982 -0.00016862 -3696 8.89585917 -0.00024942 -0.00016830 -3697 8.89823965 -0.00024902 -0.00016799 -3698 8.90062012 -0.00024862 -0.00016767 -3699 8.90300060 -0.00024822 -0.00016736 -3700 8.90538108 -0.00024782 -0.00016705 -3701 8.90776155 -0.00024743 -0.00016673 -3702 8.91014203 -0.00024703 -0.00016642 -3703 8.91252250 -0.00024664 -0.00016611 -3704 8.91490298 -0.00024624 -0.00016580 -3705 8.91728346 -0.00024585 -0.00016549 -3706 8.91966393 -0.00024545 -0.00016518 -3707 8.92204441 -0.00024506 -0.00016487 -3708 8.92442488 -0.00024467 -0.00016457 -3709 8.92680536 -0.00024428 -0.00016426 -3710 8.92918584 -0.00024389 -0.00016395 -3711 8.93156631 -0.00024350 -0.00016365 -3712 8.93394679 -0.00024311 -0.00016334 -3713 8.93632727 -0.00024272 -0.00016304 -3714 8.93870774 -0.00024233 -0.00016273 -3715 8.94108822 -0.00024194 -0.00016243 -3716 8.94346869 -0.00024156 -0.00016213 -3717 8.94584917 -0.00024117 -0.00016183 -3718 8.94822965 -0.00024079 -0.00016153 -3719 8.95061012 -0.00024040 -0.00016123 -3720 8.95299060 -0.00024002 -0.00016093 -3721 8.95537107 -0.00023964 -0.00016063 -3722 8.95775155 -0.00023925 -0.00016033 -3723 8.96013203 -0.00023887 -0.00016003 -3724 8.96251250 -0.00023849 -0.00015973 -3725 8.96489298 -0.00023811 -0.00015944 -3726 8.96727345 -0.00023773 -0.00015914 -3727 8.96965393 -0.00023735 -0.00015884 -3728 8.97203441 -0.00023698 -0.00015855 -3729 8.97441488 -0.00023660 -0.00015825 -3730 8.97679536 -0.00023622 -0.00015796 -3731 8.97917584 -0.00023585 -0.00015767 -3732 8.98155631 -0.00023547 -0.00015738 -3733 8.98393679 -0.00023510 -0.00015708 -3734 8.98631726 -0.00023472 -0.00015679 -3735 8.98869774 -0.00023435 -0.00015650 -3736 8.99107822 -0.00023398 -0.00015621 -3737 8.99345869 -0.00023361 -0.00015592 -3738 8.99583917 -0.00023324 -0.00015563 -3739 8.99821964 -0.00023287 -0.00015535 -3740 9.00060012 -0.00023250 -0.00015506 -3741 9.00298060 -0.00023213 -0.00015477 -3742 9.00536107 -0.00023176 -0.00015449 -3743 9.00774155 -0.00023139 -0.00015420 -3744 9.01012202 -0.00023103 -0.00015391 -3745 9.01250250 -0.00023066 -0.00015363 -3746 9.01488298 -0.00023030 -0.00015335 -3747 9.01726345 -0.00022993 -0.00015306 -3748 9.01964393 -0.00022957 -0.00015278 -3749 9.02202440 -0.00022920 -0.00015250 -3750 9.02440488 -0.00022884 -0.00015222 -3751 9.02678536 -0.00022848 -0.00015194 -3752 9.02916583 -0.00022812 -0.00015166 -3753 9.03154631 -0.00022776 -0.00015138 -3754 9.03392679 -0.00022740 -0.00015110 -3755 9.03630726 -0.00022704 -0.00015082 -3756 9.03868774 -0.00022668 -0.00015054 -3757 9.04106821 -0.00022632 -0.00015026 -3758 9.04344869 -0.00022596 -0.00014999 -3759 9.04582917 -0.00022561 -0.00014971 -3760 9.04820964 -0.00022525 -0.00014944 -3761 9.05059012 -0.00022489 -0.00014916 -3762 9.05297059 -0.00022454 -0.00014889 -3763 9.05535107 -0.00022419 -0.00014861 -3764 9.05773155 -0.00022383 -0.00014834 -3765 9.06011202 -0.00022348 -0.00014807 -3766 9.06249250 -0.00022313 -0.00014779 -3767 9.06487297 -0.00022278 -0.00014752 -3768 9.06725345 -0.00022243 -0.00014725 -3769 9.06963393 -0.00022207 -0.00014698 -3770 9.07201440 -0.00022173 -0.00014671 -3771 9.07439488 -0.00022138 -0.00014644 -3772 9.07677536 -0.00022103 -0.00014617 -3773 9.07915583 -0.00022068 -0.00014590 -3774 9.08153631 -0.00022033 -0.00014564 -3775 9.08391678 -0.00021999 -0.00014537 -3776 9.08629726 -0.00021964 -0.00014510 -3777 9.08867774 -0.00021930 -0.00014484 -3778 9.09105821 -0.00021895 -0.00014457 -3779 9.09343869 -0.00021861 -0.00014431 -3780 9.09581916 -0.00021826 -0.00014404 -3781 9.09819964 -0.00021792 -0.00014378 -3782 9.10058012 -0.00021758 -0.00014352 -3783 9.10296059 -0.00021724 -0.00014325 -3784 9.10534107 -0.00021690 -0.00014299 -3785 9.10772154 -0.00021656 -0.00014273 -3786 9.11010202 -0.00021622 -0.00014247 -3787 9.11248250 -0.00021588 -0.00014221 -3788 9.11486297 -0.00021554 -0.00014195 -3789 9.11724345 -0.00021520 -0.00014169 -3790 9.11962392 -0.00021487 -0.00014143 -3791 9.12200440 -0.00021453 -0.00014117 -3792 9.12438488 -0.00021419 -0.00014092 -3793 9.12676535 -0.00021386 -0.00014066 -3794 9.12914583 -0.00021353 -0.00014040 -3795 9.13152631 -0.00021319 -0.00014015 -3796 9.13390678 -0.00021286 -0.00013989 -3797 9.13628726 -0.00021253 -0.00013963 -3798 9.13866773 -0.00021219 -0.00013938 -3799 9.14104821 -0.00021186 -0.00013913 -3800 9.14342869 -0.00021153 -0.00013887 -3801 9.14580916 -0.00021120 -0.00013862 -3802 9.14818964 -0.00021087 -0.00013837 -3803 9.15057011 -0.00021054 -0.00013812 -3804 9.15295059 -0.00021021 -0.00013786 -3805 9.15533107 -0.00020989 -0.00013761 -3806 9.15771154 -0.00020956 -0.00013736 -3807 9.16009202 -0.00020923 -0.00013711 -3808 9.16247249 -0.00020891 -0.00013686 -3809 9.16485297 -0.00020858 -0.00013662 -3810 9.16723345 -0.00020825 -0.00013637 -3811 9.16961392 -0.00020793 -0.00013612 -3812 9.17199440 -0.00020761 -0.00013587 -3813 9.17437487 -0.00020728 -0.00013563 -3814 9.17675535 -0.00020696 -0.00013538 -3815 9.17913583 -0.00020664 -0.00013513 -3816 9.18151630 -0.00020632 -0.00013489 -3817 9.18389678 -0.00020600 -0.00013464 -3818 9.18627726 -0.00020568 -0.00013440 -3819 9.18865773 -0.00020536 -0.00013416 -3820 9.19103821 -0.00020504 -0.00013391 -3821 9.19341868 -0.00020472 -0.00013367 -3822 9.19579916 -0.00020440 -0.00013343 -3823 9.19817964 -0.00020408 -0.00013319 -3824 9.20056011 -0.00020377 -0.00013295 -3825 9.20294059 -0.00020345 -0.00013271 -3826 9.20532106 -0.00020314 -0.00013247 -3827 9.20770154 -0.00020282 -0.00013223 -3828 9.21008202 -0.00020251 -0.00013199 -3829 9.21246249 -0.00020219 -0.00013175 -3830 9.21484297 -0.00020188 -0.00013151 -3831 9.21722344 -0.00020157 -0.00013127 -3832 9.21960392 -0.00020125 -0.00013103 -3833 9.22198440 -0.00020094 -0.00013080 -3834 9.22436487 -0.00020063 -0.00013056 -3835 9.22674535 -0.00020032 -0.00013033 -3836 9.22912583 -0.00020001 -0.00013009 -3837 9.23150630 -0.00019970 -0.00012986 -3838 9.23388678 -0.00019939 -0.00012962 -3839 9.23626725 -0.00019908 -0.00012939 -3840 9.23864773 -0.00019878 -0.00012916 -3841 9.24102821 -0.00019847 -0.00012892 -3842 9.24340868 -0.00019816 -0.00012869 -3843 9.24578916 -0.00019786 -0.00012846 -3844 9.24816963 -0.00019755 -0.00012823 -3845 9.25055011 -0.00019725 -0.00012800 -3846 9.25293059 -0.00019694 -0.00012777 -3847 9.25531106 -0.00019664 -0.00012754 -3848 9.25769154 -0.00019633 -0.00012731 -3849 9.26007201 -0.00019603 -0.00012708 -3850 9.26245249 -0.00019573 -0.00012685 -3851 9.26483297 -0.00019543 -0.00012662 -3852 9.26721344 -0.00019513 -0.00012639 -3853 9.26959392 -0.00019483 -0.00012617 -3854 9.27197439 -0.00019453 -0.00012594 -3855 9.27435487 -0.00019423 -0.00012571 -3856 9.27673535 -0.00019393 -0.00012549 -3857 9.27911582 -0.00019363 -0.00012526 -3858 9.28149630 -0.00019333 -0.00012504 -3859 9.28387678 -0.00019303 -0.00012481 -3860 9.28625725 -0.00019274 -0.00012459 -3861 9.28863773 -0.00019244 -0.00012437 -3862 9.29101820 -0.00019214 -0.00012414 -3863 9.29339868 -0.00019185 -0.00012392 -3864 9.29577916 -0.00019155 -0.00012370 -3865 9.29815963 -0.00019126 -0.00012348 -3866 9.30054011 -0.00019097 -0.00012326 -3867 9.30292058 -0.00019067 -0.00012303 -3868 9.30530106 -0.00019038 -0.00012281 -3869 9.30768154 -0.00019009 -0.00012259 -3870 9.31006201 -0.00018980 -0.00012238 -3871 9.31244249 -0.00018951 -0.00012216 -3872 9.31482296 -0.00018922 -0.00012194 -3873 9.31720344 -0.00018893 -0.00012172 -3874 9.31958392 -0.00018864 -0.00012150 -3875 9.32196439 -0.00018835 -0.00012129 -3876 9.32434487 -0.00018806 -0.00012107 -3877 9.32672535 -0.00018777 -0.00012085 -3878 9.32910582 -0.00018748 -0.00012064 -3879 9.33148630 -0.00018720 -0.00012042 -3880 9.33386677 -0.00018691 -0.00012021 -3881 9.33624725 -0.00018662 -0.00011999 -3882 9.33862773 -0.00018634 -0.00011978 -3883 9.34100820 -0.00018605 -0.00011956 -3884 9.34338868 -0.00018577 -0.00011935 -3885 9.34576915 -0.00018549 -0.00011914 -3886 9.34814963 -0.00018520 -0.00011893 -3887 9.35053011 -0.00018492 -0.00011871 -3888 9.35291058 -0.00018464 -0.00011850 -3889 9.35529106 -0.00018436 -0.00011829 -3890 9.35767153 -0.00018407 -0.00011808 -3891 9.36005201 -0.00018379 -0.00011787 -3892 9.36243249 -0.00018351 -0.00011766 -3893 9.36481296 -0.00018323 -0.00011745 -3894 9.36719344 -0.00018295 -0.00011724 -3895 9.36957391 -0.00018267 -0.00011704 -3896 9.37195439 -0.00018240 -0.00011683 -3897 9.37433487 -0.00018212 -0.00011662 -3898 9.37671534 -0.00018184 -0.00011641 -3899 9.37909582 -0.00018156 -0.00011621 -3900 9.38147630 -0.00018129 -0.00011600 -3901 9.38385677 -0.00018101 -0.00011579 -3902 9.38623725 -0.00018074 -0.00011559 -3903 9.38861772 -0.00018046 -0.00011538 -3904 9.39099820 -0.00018019 -0.00011518 -3905 9.39337868 -0.00017991 -0.00011497 -3906 9.39575915 -0.00017964 -0.00011477 -3907 9.39813963 -0.00017937 -0.00011457 -3908 9.40052010 -0.00017909 -0.00011436 -3909 9.40290058 -0.00017882 -0.00011416 -3910 9.40528106 -0.00017855 -0.00011396 -3911 9.40766153 -0.00017828 -0.00011376 -3912 9.41004201 -0.00017801 -0.00011356 -3913 9.41242248 -0.00017774 -0.00011335 -3914 9.41480296 -0.00017747 -0.00011315 -3915 9.41718344 -0.00017720 -0.00011295 -3916 9.41956391 -0.00017693 -0.00011275 -3917 9.42194439 -0.00017666 -0.00011256 -3918 9.42432486 -0.00017640 -0.00011236 -3919 9.42670534 -0.00017613 -0.00011216 -3920 9.42908582 -0.00017586 -0.00011196 -3921 9.43146629 -0.00017560 -0.00011176 -3922 9.43384677 -0.00017533 -0.00011156 -3923 9.43622725 -0.00017506 -0.00011137 -3924 9.43860772 -0.00017480 -0.00011117 -3925 9.44098820 -0.00017454 -0.00011097 -3926 9.44336867 -0.00017427 -0.00011078 -3927 9.44574915 -0.00017401 -0.00011058 -3928 9.44812963 -0.00017375 -0.00011039 -3929 9.45051010 -0.00017348 -0.00011019 -3930 9.45289058 -0.00017322 -0.00011000 -3931 9.45527105 -0.00017296 -0.00010981 -3932 9.45765153 -0.00017270 -0.00010961 -3933 9.46003201 -0.00017244 -0.00010942 -3934 9.46241248 -0.00017218 -0.00010923 -3935 9.46479296 -0.00017192 -0.00010903 -3936 9.46717343 -0.00017166 -0.00010884 -3937 9.46955391 -0.00017140 -0.00010865 -3938 9.47193439 -0.00017114 -0.00010846 -3939 9.47431486 -0.00017088 -0.00010827 -3940 9.47669534 -0.00017062 -0.00010808 -3941 9.47907582 -0.00017037 -0.00010789 -3942 9.48145629 -0.00017011 -0.00010770 -3943 9.48383677 -0.00016986 -0.00010751 -3944 9.48621724 -0.00016960 -0.00010732 -3945 9.48859772 -0.00016934 -0.00010713 -3946 9.49097820 -0.00016909 -0.00010695 -3947 9.49335867 -0.00016884 -0.00010676 -3948 9.49573915 -0.00016858 -0.00010657 -3949 9.49811962 -0.00016833 -0.00010638 -3950 9.50050010 -0.00016807 -0.00010620 -3951 9.50288058 -0.00016782 -0.00010601 -3952 9.50526105 -0.00016757 -0.00010583 -3953 9.50764153 -0.00016732 -0.00010564 -3954 9.51002200 -0.00016707 -0.00010546 -3955 9.51240248 -0.00016682 -0.00010527 -3956 9.51478296 -0.00016657 -0.00010509 -3957 9.51716343 -0.00016632 -0.00010490 -3958 9.51954391 -0.00016607 -0.00010472 -3959 9.52192438 -0.00016582 -0.00010454 -3960 9.52430486 -0.00016557 -0.00010435 -3961 9.52668534 -0.00016532 -0.00010417 -3962 9.52906581 -0.00016507 -0.00010399 -3963 9.53144629 -0.00016483 -0.00010381 -3964 9.53382677 -0.00016458 -0.00010362 -3965 9.53620724 -0.00016433 -0.00010344 -3966 9.53858772 -0.00016409 -0.00010326 -3967 9.54096819 -0.00016384 -0.00010308 -3968 9.54334867 -0.00016360 -0.00010290 -3969 9.54572915 -0.00016335 -0.00010272 -3970 9.54810962 -0.00016311 -0.00010254 -3971 9.55049010 -0.00016286 -0.00010237 -3972 9.55287057 -0.00016262 -0.00010219 -3973 9.55525105 -0.00016238 -0.00010201 -3974 9.55763153 -0.00016213 -0.00010183 -3975 9.56001200 -0.00016189 -0.00010165 -3976 9.56239248 -0.00016165 -0.00010148 -3977 9.56477295 -0.00016141 -0.00010130 -3978 9.56715343 -0.00016117 -0.00010112 -3979 9.56953391 -0.00016093 -0.00010095 -3980 9.57191438 -0.00016069 -0.00010077 -3981 9.57429486 -0.00016045 -0.00010060 -3982 9.57667534 -0.00016021 -0.00010042 -3983 9.57905581 -0.00015997 -0.00010025 -3984 9.58143629 -0.00015973 -0.00010007 -3985 9.58381676 -0.00015949 -0.00009990 -3986 9.58619724 -0.00015925 -0.00009972 -3987 9.58857772 -0.00015902 -0.00009955 -3988 9.59095819 -0.00015878 -0.00009938 -3989 9.59333867 -0.00015854 -0.00009921 -3990 9.59571914 -0.00015831 -0.00009903 -3991 9.59809962 -0.00015807 -0.00009886 -3992 9.60048010 -0.00015784 -0.00009869 -3993 9.60286057 -0.00015760 -0.00009852 -3994 9.60524105 -0.00015737 -0.00009835 -3995 9.60762152 -0.00015713 -0.00009818 -3996 9.61000200 -0.00015690 -0.00009801 -3997 9.61238248 -0.00015667 -0.00009784 -3998 9.61476295 -0.00015644 -0.00009767 -3999 9.61714343 -0.00015620 -0.00009750 -4000 9.61952390 -0.00015597 -0.00009733 -4001 9.62190438 -0.00015574 -0.00009716 -4002 9.62428486 -0.00015551 -0.00009699 -4003 9.62666533 -0.00015528 -0.00009683 -4004 9.62904581 -0.00015505 -0.00009666 -4005 9.63142629 -0.00015482 -0.00009649 -4006 9.63380676 -0.00015459 -0.00009632 -4007 9.63618724 -0.00015436 -0.00009616 -4008 9.63856771 -0.00015413 -0.00009599 -4009 9.64094819 -0.00015390 -0.00009583 -4010 9.64332867 -0.00015367 -0.00009566 -4011 9.64570914 -0.00015345 -0.00009550 -4012 9.64808962 -0.00015322 -0.00009533 -4013 9.65047009 -0.00015299 -0.00009517 -4014 9.65285057 -0.00015277 -0.00009500 -4015 9.65523105 -0.00015254 -0.00009484 -4016 9.65761152 -0.00015231 -0.00009467 -4017 9.65999200 -0.00015209 -0.00009451 -4018 9.66237247 -0.00015186 -0.00009435 -4019 9.66475295 -0.00015164 -0.00009419 -4020 9.66713343 -0.00015142 -0.00009402 -4021 9.66951390 -0.00015119 -0.00009386 -4022 9.67189438 -0.00015097 -0.00009370 -4023 9.67427485 -0.00015075 -0.00009354 -4024 9.67665533 -0.00015052 -0.00009338 -4025 9.67903581 -0.00015030 -0.00009322 -4026 9.68141628 -0.00015008 -0.00009306 -4027 9.68379676 -0.00014986 -0.00009290 -4028 9.68617724 -0.00014964 -0.00009274 -4029 9.68855771 -0.00014942 -0.00009258 -4030 9.69093819 -0.00014920 -0.00009242 -4031 9.69331866 -0.00014898 -0.00009226 -4032 9.69569914 -0.00014876 -0.00009210 -4033 9.69807962 -0.00014854 -0.00009194 -4034 9.70046009 -0.00014832 -0.00009178 -4035 9.70284057 -0.00014810 -0.00009163 -4036 9.70522104 -0.00014788 -0.00009147 -4037 9.70760152 -0.00014767 -0.00009131 -4038 9.70998200 -0.00014745 -0.00009116 -4039 9.71236247 -0.00014723 -0.00009100 -4040 9.71474295 -0.00014702 -0.00009084 -4041 9.71712342 -0.00014680 -0.00009069 -4042 9.71950390 -0.00014658 -0.00009053 -4043 9.72188438 -0.00014637 -0.00009038 -4044 9.72426485 -0.00014615 -0.00009022 -4045 9.72664533 -0.00014594 -0.00009007 -4046 9.72902581 -0.00014573 -0.00008991 -4047 9.73140628 -0.00014551 -0.00008976 -4048 9.73378676 -0.00014530 -0.00008961 -4049 9.73616723 -0.00014508 -0.00008945 -4050 9.73854771 -0.00014487 -0.00008930 -4051 9.74092819 -0.00014466 -0.00008915 -4052 9.74330866 -0.00014445 -0.00008899 -4053 9.74568914 -0.00014424 -0.00008884 -4054 9.74806961 -0.00014402 -0.00008869 -4055 9.75045009 -0.00014381 -0.00008854 -4056 9.75283057 -0.00014360 -0.00008839 -4057 9.75521104 -0.00014339 -0.00008824 -4058 9.75759152 -0.00014318 -0.00008809 -4059 9.75997199 -0.00014297 -0.00008794 -4060 9.76235247 -0.00014276 -0.00008779 -4061 9.76473295 -0.00014256 -0.00008764 -4062 9.76711342 -0.00014235 -0.00008749 -4063 9.76949390 -0.00014214 -0.00008734 -4064 9.77187437 -0.00014193 -0.00008719 -4065 9.77425485 -0.00014172 -0.00008704 -4066 9.77663533 -0.00014152 -0.00008689 -4067 9.77901580 -0.00014131 -0.00008674 -4068 9.78139628 -0.00014110 -0.00008660 -4069 9.78377676 -0.00014090 -0.00008645 -4070 9.78615723 -0.00014069 -0.00008630 -4071 9.78853771 -0.00014049 -0.00008615 -4072 9.79091818 -0.00014028 -0.00008601 -4073 9.79329866 -0.00014008 -0.00008586 -4074 9.79567914 -0.00013987 -0.00008572 -4075 9.79805961 -0.00013967 -0.00008557 -4076 9.80044009 -0.00013947 -0.00008542 -4077 9.80282056 -0.00013926 -0.00008528 -4078 9.80520104 -0.00013906 -0.00008513 -4079 9.80758152 -0.00013886 -0.00008499 -4080 9.80996199 -0.00013866 -0.00008485 -4081 9.81234247 -0.00013845 -0.00008470 -4082 9.81472294 -0.00013825 -0.00008456 -4083 9.81710342 -0.00013805 -0.00008441 -4084 9.81948390 -0.00013785 -0.00008427 -4085 9.82186437 -0.00013765 -0.00008413 -4086 9.82424485 -0.00013745 -0.00008399 -4087 9.82662533 -0.00013725 -0.00008384 -4088 9.82900580 -0.00013705 -0.00008370 -4089 9.83138628 -0.00013685 -0.00008356 -4090 9.83376675 -0.00013665 -0.00008342 -4091 9.83614723 -0.00013645 -0.00008328 -4092 9.83852771 -0.00013626 -0.00008314 -4093 9.84090818 -0.00013606 -0.00008299 -4094 9.84328866 -0.00013586 -0.00008285 -4095 9.84566913 -0.00013566 -0.00008271 -4096 9.84804961 -0.00013547 -0.00008257 -4097 9.85043009 -0.00013527 -0.00008243 -4098 9.85281056 -0.00013507 -0.00008229 -4099 9.85519104 -0.00013488 -0.00008216 -4100 9.85757151 -0.00013468 -0.00008202 -4101 9.85995199 -0.00013449 -0.00008188 -4102 9.86233247 -0.00013429 -0.00008174 -4103 9.86471294 -0.00013410 -0.00008160 -4104 9.86709342 -0.00013391 -0.00008146 -4105 9.86947389 -0.00013371 -0.00008133 -4106 9.87185437 -0.00013352 -0.00008119 -4107 9.87423485 -0.00013333 -0.00008105 -4108 9.87661532 -0.00013313 -0.00008092 -4109 9.87899580 -0.00013294 -0.00008078 -4110 9.88137628 -0.00013275 -0.00008064 -4111 9.88375675 -0.00013256 -0.00008051 -4112 9.88613723 -0.00013236 -0.00008037 -4113 9.88851770 -0.00013217 -0.00008024 -4114 9.89089818 -0.00013198 -0.00008010 -4115 9.89327866 -0.00013179 -0.00007997 -4116 9.89565913 -0.00013160 -0.00007983 -4117 9.89803961 -0.00013141 -0.00007970 -4118 9.90042008 -0.00013122 -0.00007956 -4119 9.90280056 -0.00013103 -0.00007943 -4120 9.90518104 -0.00013084 -0.00007930 -4121 9.90756151 -0.00013066 -0.00007916 -4122 9.90994199 -0.00013047 -0.00007903 -4123 9.91232246 -0.00013028 -0.00007890 -4124 9.91470294 -0.00013009 -0.00007876 -4125 9.91708342 -0.00012990 -0.00007863 -4126 9.91946389 -0.00012972 -0.00007850 -4127 9.92184437 -0.00012953 -0.00007837 -4128 9.92422484 -0.00012934 -0.00007824 -4129 9.92660532 -0.00012916 -0.00007811 -4130 9.92898580 -0.00012897 -0.00007797 -4131 9.93136627 -0.00012879 -0.00007784 -4132 9.93374675 -0.00012860 -0.00007771 -4133 9.93612723 -0.00012842 -0.00007758 -4134 9.93850770 -0.00012823 -0.00007745 -4135 9.94088818 -0.00012805 -0.00007732 -4136 9.94326865 -0.00012786 -0.00007719 -4137 9.94564913 -0.00012768 -0.00007706 -4138 9.94802961 -0.00012750 -0.00007693 -4139 9.95041008 -0.00012731 -0.00007681 -4140 9.95279056 -0.00012713 -0.00007668 -4141 9.95517103 -0.00012695 -0.00007655 -4142 9.95755151 -0.00012677 -0.00007642 -4143 9.95993199 -0.00012659 -0.00007629 -4144 9.96231246 -0.00012640 -0.00007617 -4145 9.96469294 -0.00012622 -0.00007604 -4146 9.96707341 -0.00012604 -0.00007591 -4147 9.96945389 -0.00012586 -0.00007578 -4148 9.97183437 -0.00012568 -0.00007566 -4149 9.97421484 -0.00012550 -0.00007553 -4150 9.97659532 -0.00012532 -0.00007541 -4151 9.97897580 -0.00012514 -0.00007528 -4152 9.98135627 -0.00012496 -0.00007515 -4153 9.98373675 -0.00012478 -0.00007503 -4154 9.98611722 -0.00012461 -0.00007490 -4155 9.98849770 -0.00012443 -0.00007478 -4156 9.99087818 -0.00012425 -0.00007465 -4157 9.99325865 -0.00012407 -0.00007453 -4158 9.99563913 -0.00012390 -0.00007440 -4159 9.99801960 -0.00012372 -0.00007428 -4160 10.00040008 -0.00012354 -0.00007416 -4161 10.00278056 -0.00012337 -0.00007403 -4162 10.00516103 -0.00012319 -0.00007391 -4163 10.00754151 -0.00012301 -0.00007379 -4164 10.00992198 -0.00012284 -0.00007366 -4165 10.01230246 -0.00012266 -0.00007354 -4166 10.01468294 -0.00012249 -0.00007342 -4167 10.01706341 -0.00012231 -0.00007330 -4168 10.01944389 -0.00012214 -0.00007318 -4169 10.02182436 -0.00012196 -0.00007305 -4170 10.02420484 -0.00012179 -0.00007293 -4171 10.02658532 -0.00012162 -0.00007281 -4172 10.02896579 -0.00012144 -0.00007269 -4173 10.03134627 -0.00012127 -0.00007257 -4174 10.03372675 -0.00012110 -0.00007245 -4175 10.03610722 -0.00012093 -0.00007233 -4176 10.03848770 -0.00012075 -0.00007221 -4177 10.04086817 -0.00012058 -0.00007209 -4178 10.04324865 -0.00012041 -0.00007197 -4179 10.04562913 -0.00012024 -0.00007185 -4180 10.04800960 -0.00012007 -0.00007173 -4181 10.05039008 -0.00011990 -0.00007161 -4182 10.05277055 -0.00011973 -0.00007149 -4183 10.05515103 -0.00011956 -0.00007138 -4184 10.05753151 -0.00011939 -0.00007126 -4185 10.05991198 -0.00011922 -0.00007114 -4186 10.06229246 -0.00011905 -0.00007102 -4187 10.06467293 -0.00011888 -0.00007090 -4188 10.06705341 -0.00011871 -0.00007079 -4189 10.06943389 -0.00011854 -0.00007067 -4190 10.07181436 -0.00011838 -0.00007055 -4191 10.07419484 -0.00011821 -0.00007044 -4192 10.07657532 -0.00011804 -0.00007032 -4193 10.07895579 -0.00011787 -0.00007020 -4194 10.08133627 -0.00011771 -0.00007009 -4195 10.08371674 -0.00011754 -0.00006997 -4196 10.08609722 -0.00011737 -0.00006986 -4197 10.08847770 -0.00011721 -0.00006974 -4198 10.09085817 -0.00011704 -0.00006963 -4199 10.09323865 -0.00011688 -0.00006951 -4200 10.09561912 -0.00011671 -0.00006940 -4201 10.09799960 -0.00011654 -0.00006928 -4202 10.10038008 -0.00011638 -0.00006917 -4203 10.10276055 -0.00011622 -0.00006905 -4204 10.10514103 -0.00011605 -0.00006894 -4205 10.10752150 -0.00011589 -0.00006883 -4206 10.10990198 -0.00011572 -0.00006871 -4207 10.11228246 -0.00011556 -0.00006860 -4208 10.11466293 -0.00011540 -0.00006849 -4209 10.11704341 -0.00011523 -0.00006837 -4210 10.11942388 -0.00011507 -0.00006826 -4211 10.12180436 -0.00011491 -0.00006815 -4212 10.12418484 -0.00011475 -0.00006804 -4213 10.12656531 -0.00011459 -0.00006792 -4214 10.12894579 -0.00011442 -0.00006781 -4215 10.13132627 -0.00011426 -0.00006770 -4216 10.13370674 -0.00011410 -0.00006759 -4217 10.13608722 -0.00011394 -0.00006748 -4218 10.13846769 -0.00011378 -0.00006737 -4219 10.14084817 -0.00011362 -0.00006726 -4220 10.14322865 -0.00011346 -0.00006715 -4221 10.14560912 -0.00011330 -0.00006704 -4222 10.14798960 -0.00011314 -0.00006693 -4223 10.15037007 -0.00011298 -0.00006682 -4224 10.15275055 -0.00011282 -0.00006671 -4225 10.15513103 -0.00011266 -0.00006660 -4226 10.15751150 -0.00011251 -0.00006649 -4227 10.15989198 -0.00011235 -0.00006638 -4228 10.16227245 -0.00011219 -0.00006627 -4229 10.16465293 -0.00011203 -0.00006616 -4230 10.16703341 -0.00011187 -0.00006605 -4231 10.16941388 -0.00011172 -0.00006594 -4232 10.17179436 -0.00011156 -0.00006584 -4233 10.17417483 -0.00011140 -0.00006573 -4234 10.17655531 -0.00011125 -0.00006562 -4235 10.17893579 -0.00011109 -0.00006551 -4236 10.18131626 -0.00011094 -0.00006541 -4237 10.18369674 -0.00011078 -0.00006530 -4238 10.18607722 -0.00011062 -0.00006519 -4239 10.18845769 -0.00011047 -0.00006509 -4240 10.19083817 -0.00011032 -0.00006498 -4241 10.19321864 -0.00011016 -0.00006487 -4242 10.19559912 -0.00011001 -0.00006477 -4243 10.19797960 -0.00010985 -0.00006466 -4244 10.20036007 -0.00010970 -0.00006456 -4245 10.20274055 -0.00010954 -0.00006445 -4246 10.20512102 -0.00010939 -0.00006435 -4247 10.20750150 -0.00010924 -0.00006424 -4248 10.20988198 -0.00010909 -0.00006414 -4249 10.21226245 -0.00010893 -0.00006403 -4250 10.21464293 -0.00010878 -0.00006393 -4251 10.21702340 -0.00010863 -0.00006382 -4252 10.21940388 -0.00010848 -0.00006372 -4253 10.22178436 -0.00010833 -0.00006361 -4254 10.22416483 -0.00010817 -0.00006351 -4255 10.22654531 -0.00010802 -0.00006341 -4256 10.22892579 -0.00010787 -0.00006330 -4257 10.23130626 -0.00010772 -0.00006320 -4258 10.23368674 -0.00010757 -0.00006310 -4259 10.23606721 -0.00010742 -0.00006300 -4260 10.23844769 -0.00010727 -0.00006289 -4261 10.24082817 -0.00010712 -0.00006279 -4262 10.24320864 -0.00010697 -0.00006269 -4263 10.24558912 -0.00010682 -0.00006259 -4264 10.24796959 -0.00010667 -0.00006249 -4265 10.25035007 -0.00010653 -0.00006238 -4266 10.25273055 -0.00010638 -0.00006228 -4267 10.25511102 -0.00010623 -0.00006218 -4268 10.25749150 -0.00010608 -0.00006208 -4269 10.25987197 -0.00010593 -0.00006198 -4270 10.26225245 -0.00010579 -0.00006188 -4271 10.26463293 -0.00010564 -0.00006178 -4272 10.26701340 -0.00010549 -0.00006168 -4273 10.26939388 -0.00010535 -0.00006158 -4274 10.27177435 -0.00010520 -0.00006148 -4275 10.27415483 -0.00010505 -0.00006138 -4276 10.27653531 -0.00010491 -0.00006128 -4277 10.27891578 -0.00010476 -0.00006118 -4278 10.28129626 -0.00010462 -0.00006108 -4279 10.28367674 -0.00010447 -0.00006098 -4280 10.28605721 -0.00010433 -0.00006088 -4281 10.28843769 -0.00010418 -0.00006078 -4282 10.29081816 -0.00010404 -0.00006069 -4283 10.29319864 -0.00010389 -0.00006059 -4284 10.29557912 -0.00010375 -0.00006049 -4285 10.29795959 -0.00010360 -0.00006039 -4286 10.30034007 -0.00010346 -0.00006029 -4287 10.30272054 -0.00010332 -0.00006020 -4288 10.30510102 -0.00010317 -0.00006010 -4289 10.30748150 -0.00010303 -0.00006000 -4290 10.30986197 -0.00010289 -0.00005991 -4291 10.31224245 -0.00010275 -0.00005981 -4292 10.31462292 -0.00010260 -0.00005971 -4293 10.31700340 -0.00010246 -0.00005962 -4294 10.31938388 -0.00010232 -0.00005952 -4295 10.32176435 -0.00010218 -0.00005942 -4296 10.32414483 -0.00010204 -0.00005933 -4297 10.32652531 -0.00010189 -0.00005923 -4298 10.32890578 -0.00010175 -0.00005914 -4299 10.33128626 -0.00010161 -0.00005904 -4300 10.33366673 -0.00010147 -0.00005895 -4301 10.33604721 -0.00010133 -0.00005885 -4302 10.33842769 -0.00010119 -0.00005876 -4303 10.34080816 -0.00010105 -0.00005866 -4304 10.34318864 -0.00010091 -0.00005857 -4305 10.34556911 -0.00010077 -0.00005847 -4306 10.34794959 -0.00010064 -0.00005838 -4307 10.35033007 -0.00010050 -0.00005828 -4308 10.35271054 -0.00010036 -0.00005819 -4309 10.35509102 -0.00010022 -0.00005810 -4310 10.35747149 -0.00010008 -0.00005800 -4311 10.35985197 -0.00009994 -0.00005791 -4312 10.36223245 -0.00009981 -0.00005782 -4313 10.36461292 -0.00009967 -0.00005772 -4314 10.36699340 -0.00009953 -0.00005763 -4315 10.36937387 -0.00009939 -0.00005754 -4316 10.37175435 -0.00009926 -0.00005745 -4317 10.37413483 -0.00009912 -0.00005735 -4318 10.37651530 -0.00009898 -0.00005726 -4319 10.37889578 -0.00009885 -0.00005717 -4320 10.38127626 -0.00009871 -0.00005708 -4321 10.38365673 -0.00009858 -0.00005699 -4322 10.38603721 -0.00009844 -0.00005690 -4323 10.38841768 -0.00009830 -0.00005680 -4324 10.39079816 -0.00009817 -0.00005671 -4325 10.39317864 -0.00009803 -0.00005662 -4326 10.39555911 -0.00009790 -0.00005653 -4327 10.39793959 -0.00009777 -0.00005644 -4328 10.40032006 -0.00009763 -0.00005635 -4329 10.40270054 -0.00009750 -0.00005626 -4330 10.40508102 -0.00009736 -0.00005617 -4331 10.40746149 -0.00009723 -0.00005608 -4332 10.40984197 -0.00009710 -0.00005599 -4333 10.41222244 -0.00009696 -0.00005590 -4334 10.41460292 -0.00009683 -0.00005581 -4335 10.41698340 -0.00009670 -0.00005572 -4336 10.41936387 -0.00009657 -0.00005563 -4337 10.42174435 -0.00009643 -0.00005554 -4338 10.42412482 -0.00009630 -0.00005546 -4339 10.42650530 -0.00009617 -0.00005537 -4340 10.42888578 -0.00009604 -0.00005528 -4341 10.43126625 -0.00009591 -0.00005519 -4342 10.43364673 -0.00009577 -0.00005510 -4343 10.43602721 -0.00009564 -0.00005501 -4344 10.43840768 -0.00009551 -0.00005493 -4345 10.44078816 -0.00009538 -0.00005484 -4346 10.44316863 -0.00009525 -0.00005475 -4347 10.44554911 -0.00009512 -0.00005466 -4348 10.44792959 -0.00009499 -0.00005458 -4349 10.45031006 -0.00009486 -0.00005449 -4350 10.45269054 -0.00009473 -0.00005440 -4351 10.45507101 -0.00009460 -0.00005432 -4352 10.45745149 -0.00009447 -0.00005423 -4353 10.45983197 -0.00009434 -0.00005414 -4354 10.46221244 -0.00009422 -0.00005406 -4355 10.46459292 -0.00009409 -0.00005397 -4356 10.46697339 -0.00009396 -0.00005388 -4357 10.46935387 -0.00009383 -0.00005380 -4358 10.47173435 -0.00009370 -0.00005371 -4359 10.47411482 -0.00009357 -0.00005363 -4360 10.47649530 -0.00009345 -0.00005354 -4361 10.47887578 -0.00009332 -0.00005346 -4362 10.48125625 -0.00009319 -0.00005337 -4363 10.48363673 -0.00009307 -0.00005329 -4364 10.48601720 -0.00009294 -0.00005320 -4365 10.48839768 -0.00009281 -0.00005312 -4366 10.49077816 -0.00009269 -0.00005303 -4367 10.49315863 -0.00009256 -0.00005295 -4368 10.49553911 -0.00009243 -0.00005287 -4369 10.49791958 -0.00009231 -0.00005278 -4370 10.50030006 -0.00009218 -0.00005270 -4371 10.50268054 -0.00009206 -0.00005261 -4372 10.50506101 -0.00009193 -0.00005253 -4373 10.50744149 -0.00009181 -0.00005245 -4374 10.50982196 -0.00009168 -0.00005236 -4375 10.51220244 -0.00009156 -0.00005228 -4376 10.51458292 -0.00009143 -0.00005220 -4377 10.51696339 -0.00009131 -0.00005212 -4378 10.51934387 -0.00009119 -0.00005203 -4379 10.52172434 -0.00009106 -0.00005195 -4380 10.52410482 -0.00009094 -0.00005187 -4381 10.52648530 -0.00009081 -0.00005179 -4382 10.52886577 -0.00009069 -0.00005171 -4383 10.53124625 -0.00009057 -0.00005162 -4384 10.53362673 -0.00009045 -0.00005154 -4385 10.53600720 -0.00009032 -0.00005146 -4386 10.53838768 -0.00009020 -0.00005138 -4387 10.54076815 -0.00009008 -0.00005130 -4388 10.54314863 -0.00008996 -0.00005122 -4389 10.54552911 -0.00008983 -0.00005114 -4390 10.54790958 -0.00008971 -0.00005105 -4391 10.55029006 -0.00008959 -0.00005097 -4392 10.55267053 -0.00008947 -0.00005089 -4393 10.55505101 -0.00008935 -0.00005081 -4394 10.55743149 -0.00008923 -0.00005073 -4395 10.55981196 -0.00008911 -0.00005065 -4396 10.56219244 -0.00008899 -0.00005057 -4397 10.56457291 -0.00008887 -0.00005049 -4398 10.56695339 -0.00008875 -0.00005041 -4399 10.56933387 -0.00008863 -0.00005033 -4400 10.57171434 -0.00008851 -0.00005026 -4401 10.57409482 -0.00008839 -0.00005018 -4402 10.57647530 -0.00008827 -0.00005010 -4403 10.57885577 -0.00008815 -0.00005002 -4404 10.58123625 -0.00008803 -0.00004994 -4405 10.58361672 -0.00008791 -0.00004986 -4406 10.58599720 -0.00008779 -0.00004978 -4407 10.58837768 -0.00008767 -0.00004970 -4408 10.59075815 -0.00008756 -0.00004963 -4409 10.59313863 -0.00008744 -0.00004955 -4410 10.59551910 -0.00008732 -0.00004947 -4411 10.59789958 -0.00008720 -0.00004939 -4412 10.60028006 -0.00008708 -0.00004931 -4413 10.60266053 -0.00008697 -0.00004924 -4414 10.60504101 -0.00008685 -0.00004916 -4415 10.60742148 -0.00008673 -0.00004908 -4416 10.60980196 -0.00008662 -0.00004901 -4417 10.61218244 -0.00008650 -0.00004893 -4418 10.61456291 -0.00008638 -0.00004885 -4419 10.61694339 -0.00008627 -0.00004877 -4420 10.61932386 -0.00008615 -0.00004870 -4421 10.62170434 -0.00008604 -0.00004862 -4422 10.62408482 -0.00008592 -0.00004855 -4423 10.62646529 -0.00008580 -0.00004847 -4424 10.62884577 -0.00008569 -0.00004839 -4425 10.63122625 -0.00008557 -0.00004832 -4426 10.63360672 -0.00008546 -0.00004824 -4427 10.63598720 -0.00008534 -0.00004817 -4428 10.63836767 -0.00008523 -0.00004809 -4429 10.64074815 -0.00008512 -0.00004802 -4430 10.64312863 -0.00008500 -0.00004794 -4431 10.64550910 -0.00008489 -0.00004787 -4432 10.64788958 -0.00008477 -0.00004779 -4433 10.65027005 -0.00008466 -0.00004772 -4434 10.65265053 -0.00008455 -0.00004764 -4435 10.65503101 -0.00008443 -0.00004757 -4436 10.65741148 -0.00008432 -0.00004749 -4437 10.65979196 -0.00008421 -0.00004742 -4438 10.66217243 -0.00008409 -0.00004734 -4439 10.66455291 -0.00008398 -0.00004727 -4440 10.66693339 -0.00008387 -0.00004720 -4441 10.66931386 -0.00008376 -0.00004712 -4442 10.67169434 -0.00008364 -0.00004705 -4443 10.67407481 -0.00008353 -0.00004698 -4444 10.67645529 -0.00008342 -0.00004690 -4445 10.67883577 -0.00008331 -0.00004683 -4446 10.68121624 -0.00008320 -0.00004676 -4447 10.68359672 -0.00008309 -0.00004668 -4448 10.68597720 -0.00008298 -0.00004661 -4449 10.68835767 -0.00008286 -0.00004654 -4450 10.69073815 -0.00008275 -0.00004647 -4451 10.69311862 -0.00008264 -0.00004639 -4452 10.69549910 -0.00008253 -0.00004632 -4453 10.69787958 -0.00008242 -0.00004625 -4454 10.70026005 -0.00008231 -0.00004618 -4455 10.70264053 -0.00008220 -0.00004610 -4456 10.70502100 -0.00008209 -0.00004603 -4457 10.70740148 -0.00008198 -0.00004596 -4458 10.70978196 -0.00008187 -0.00004589 -4459 10.71216243 -0.00008177 -0.00004582 -4460 10.71454291 -0.00008166 -0.00004575 -4461 10.71692338 -0.00008155 -0.00004568 -4462 10.71930386 -0.00008144 -0.00004561 -4463 10.72168434 -0.00008133 -0.00004553 -4464 10.72406481 -0.00008122 -0.00004546 -4465 10.72644529 -0.00008111 -0.00004539 -4466 10.72882577 -0.00008101 -0.00004532 -4467 10.73120624 -0.00008090 -0.00004525 -4468 10.73358672 -0.00008079 -0.00004518 -4469 10.73596719 -0.00008068 -0.00004511 -4470 10.73834767 -0.00008058 -0.00004504 -4471 10.74072815 -0.00008047 -0.00004497 -4472 10.74310862 -0.00008036 -0.00004490 -4473 10.74548910 -0.00008026 -0.00004483 -4474 10.74786957 -0.00008015 -0.00004476 -4475 10.75025005 -0.00008004 -0.00004469 -4476 10.75263053 -0.00007994 -0.00004462 -4477 10.75501100 -0.00007983 -0.00004456 -4478 10.75739148 -0.00007972 -0.00004449 -4479 10.75977195 -0.00007962 -0.00004442 -4480 10.76215243 -0.00007951 -0.00004435 -4481 10.76453291 -0.00007941 -0.00004428 -4482 10.76691338 -0.00007930 -0.00004421 -4483 10.76929386 -0.00007920 -0.00004414 -4484 10.77167433 -0.00007909 -0.00004407 -4485 10.77405481 -0.00007899 -0.00004401 -4486 10.77643529 -0.00007888 -0.00004394 -4487 10.77881576 -0.00007878 -0.00004387 -4488 10.78119624 -0.00007867 -0.00004380 -4489 10.78357672 -0.00007857 -0.00004374 -4490 10.78595719 -0.00007846 -0.00004367 -4491 10.78833767 -0.00007836 -0.00004360 -4492 10.79071814 -0.00007826 -0.00004353 -4493 10.79309862 -0.00007815 -0.00004347 -4494 10.79547910 -0.00007805 -0.00004340 -4495 10.79785957 -0.00007795 -0.00004333 -4496 10.80024005 -0.00007784 -0.00004326 -4497 10.80262052 -0.00007774 -0.00004320 -4498 10.80500100 -0.00007764 -0.00004313 -4499 10.80738148 -0.00007754 -0.00004307 -4500 10.80976195 -0.00007743 -0.00004300 -4501 10.81214243 -0.00007733 -0.00004293 -4502 10.81452290 -0.00007723 -0.00004287 -4503 10.81690338 -0.00007713 -0.00004280 -4504 10.81928386 -0.00007702 -0.00004273 -4505 10.82166433 -0.00007692 -0.00004267 -4506 10.82404481 -0.00007682 -0.00004260 -4507 10.82642529 -0.00007672 -0.00004254 -4508 10.82880576 -0.00007662 -0.00004247 -4509 10.83118624 -0.00007652 -0.00004241 -4510 10.83356671 -0.00007642 -0.00004234 -4511 10.83594719 -0.00007632 -0.00004228 -4512 10.83832767 -0.00007622 -0.00004221 -4513 10.84070814 -0.00007612 -0.00004215 -4514 10.84308862 -0.00007602 -0.00004208 -4515 10.84546909 -0.00007592 -0.00004202 -4516 10.84784957 -0.00007582 -0.00004195 -4517 10.85023005 -0.00007572 -0.00004189 -4518 10.85261052 -0.00007562 -0.00004182 -4519 10.85499100 -0.00007552 -0.00004176 -4520 10.85737147 -0.00007542 -0.00004170 -4521 10.85975195 -0.00007532 -0.00004163 -4522 10.86213243 -0.00007522 -0.00004157 -4523 10.86451290 -0.00007512 -0.00004150 -4524 10.86689338 -0.00007502 -0.00004144 -4525 10.86927385 -0.00007492 -0.00004138 -4526 10.87165433 -0.00007482 -0.00004131 -4527 10.87403481 -0.00007473 -0.00004125 -4528 10.87641528 -0.00007463 -0.00004119 -4529 10.87879576 -0.00007453 -0.00004112 -4530 10.88117624 -0.00007443 -0.00004106 -4531 10.88355671 -0.00007433 -0.00004100 -4532 10.88593719 -0.00007424 -0.00004094 -4533 10.88831766 -0.00007414 -0.00004087 -4534 10.89069814 -0.00007404 -0.00004081 -4535 10.89307862 -0.00007395 -0.00004075 -4536 10.89545909 -0.00007385 -0.00004069 -4537 10.89783957 -0.00007375 -0.00004062 -4538 10.90022004 -0.00007365 -0.00004056 -4539 10.90260052 -0.00007356 -0.00004050 -4540 10.90498100 -0.00007346 -0.00004044 -4541 10.90736147 -0.00007337 -0.00004038 -4542 10.90974195 -0.00007327 -0.00004031 -4543 10.91212242 -0.00007317 -0.00004025 -4544 10.91450290 -0.00007308 -0.00004019 -4545 10.91688338 -0.00007298 -0.00004013 -4546 10.91926385 -0.00007289 -0.00004007 -4547 10.92164433 -0.00007279 -0.00004001 -4548 10.92402480 -0.00007270 -0.00003995 -4549 10.92640528 -0.00007260 -0.00003989 -4550 10.92878576 -0.00007251 -0.00003982 -4551 10.93116623 -0.00007241 -0.00003976 -4552 10.93354671 -0.00007232 -0.00003970 -4553 10.93592719 -0.00007222 -0.00003964 -4554 10.93830766 -0.00007213 -0.00003958 -4555 10.94068814 -0.00007203 -0.00003952 -4556 10.94306861 -0.00007194 -0.00003946 -4557 10.94544909 -0.00007185 -0.00003940 -4558 10.94782957 -0.00007175 -0.00003934 -4559 10.95021004 -0.00007166 -0.00003928 -4560 10.95259052 -0.00007157 -0.00003922 -4561 10.95497099 -0.00007147 -0.00003916 -4562 10.95735147 -0.00007138 -0.00003910 -4563 10.95973195 -0.00007129 -0.00003904 -4564 10.96211242 -0.00007119 -0.00003898 -4565 10.96449290 -0.00007110 -0.00003893 -4566 10.96687337 -0.00007101 -0.00003887 -4567 10.96925385 -0.00007092 -0.00003881 -4568 10.97163433 -0.00007082 -0.00003875 -4569 10.97401480 -0.00007073 -0.00003869 -4570 10.97639528 -0.00007064 -0.00003863 -4571 10.97877576 -0.00007055 -0.00003857 -4572 10.98115623 -0.00007046 -0.00003851 -4573 10.98353671 -0.00007036 -0.00003845 -4574 10.98591718 -0.00007027 -0.00003840 -4575 10.98829766 -0.00007018 -0.00003834 -4576 10.99067814 -0.00007009 -0.00003828 -4577 10.99305861 -0.00007000 -0.00003822 -4578 10.99543909 -0.00006991 -0.00003816 -4579 10.99781956 -0.00006982 -0.00003811 -4580 11.00020004 -0.00006973 -0.00003805 -4581 11.00258052 -0.00006964 -0.00003799 -4582 11.00496099 -0.00006955 -0.00003793 -4583 11.00734147 -0.00006946 -0.00003788 -4584 11.00972194 -0.00006937 -0.00003782 -4585 11.01210242 -0.00006928 -0.00003776 -4586 11.01448290 -0.00006919 -0.00003770 -4587 11.01686337 -0.00006910 -0.00003765 -4588 11.01924385 -0.00006901 -0.00003759 -4589 11.02162432 -0.00006892 -0.00003753 -4590 11.02400480 -0.00006883 -0.00003748 -4591 11.02638528 -0.00006874 -0.00003742 -4592 11.02876575 -0.00006865 -0.00003736 -4593 11.03114623 -0.00006856 -0.00003731 -4594 11.03352671 -0.00006847 -0.00003725 -4595 11.03590718 -0.00006838 -0.00003720 -4596 11.03828766 -0.00006830 -0.00003714 -4597 11.04066813 -0.00006821 -0.00003708 -4598 11.04304861 -0.00006812 -0.00003703 -4599 11.04542909 -0.00006803 -0.00003697 -4600 11.04780956 -0.00006794 -0.00003692 -4601 11.05019004 -0.00006785 -0.00003686 -4602 11.05257051 -0.00006777 -0.00003680 -4603 11.05495099 -0.00006768 -0.00003675 -4604 11.05733147 -0.00006759 -0.00003669 -4605 11.05971194 -0.00006750 -0.00003664 -4606 11.06209242 -0.00006742 -0.00003658 -4607 11.06447289 -0.00006733 -0.00003653 -4608 11.06685337 -0.00006724 -0.00003647 -4609 11.06923385 -0.00006716 -0.00003642 -4610 11.07161432 -0.00006707 -0.00003636 -4611 11.07399480 -0.00006698 -0.00003631 -4612 11.07637528 -0.00006690 -0.00003625 -4613 11.07875575 -0.00006681 -0.00003620 -4614 11.08113623 -0.00006673 -0.00003614 -4615 11.08351670 -0.00006664 -0.00003609 -4616 11.08589718 -0.00006655 -0.00003604 -4617 11.08827766 -0.00006647 -0.00003598 -4618 11.09065813 -0.00006638 -0.00003593 -4619 11.09303861 -0.00006630 -0.00003587 -4620 11.09541908 -0.00006621 -0.00003582 -4621 11.09779956 -0.00006613 -0.00003577 -4622 11.10018004 -0.00006604 -0.00003571 -4623 11.10256051 -0.00006596 -0.00003566 -4624 11.10494099 -0.00006587 -0.00003561 -4625 11.10732146 -0.00006579 -0.00003555 -4626 11.10970194 -0.00006570 -0.00003550 -4627 11.11208242 -0.00006562 -0.00003545 -4628 11.11446289 -0.00006553 -0.00003539 -4629 11.11684337 -0.00006545 -0.00003534 -4630 11.11922384 -0.00006536 -0.00003529 -4631 11.12160432 -0.00006528 -0.00003523 -4632 11.12398480 -0.00006520 -0.00003518 -4633 11.12636527 -0.00006511 -0.00003513 -4634 11.12874575 -0.00006503 -0.00003508 -4635 11.13112623 -0.00006495 -0.00003502 -4636 11.13350670 -0.00006486 -0.00003497 -4637 11.13588718 -0.00006478 -0.00003492 -4638 11.13826765 -0.00006470 -0.00003487 -4639 11.14064813 -0.00006461 -0.00003481 -4640 11.14302861 -0.00006453 -0.00003476 -4641 11.14540908 -0.00006445 -0.00003471 -4642 11.14778956 -0.00006437 -0.00003466 -4643 11.15017003 -0.00006428 -0.00003461 -4644 11.15255051 -0.00006420 -0.00003455 -4645 11.15493099 -0.00006412 -0.00003450 -4646 11.15731146 -0.00006404 -0.00003445 -4647 11.15969194 -0.00006395 -0.00003440 -4648 11.16207241 -0.00006387 -0.00003435 -4649 11.16445289 -0.00006379 -0.00003430 -4650 11.16683337 -0.00006371 -0.00003425 -4651 11.16921384 -0.00006363 -0.00003420 -4652 11.17159432 -0.00006355 -0.00003414 -4653 11.17397479 -0.00006347 -0.00003409 -4654 11.17635527 -0.00006338 -0.00003404 -4655 11.17873575 -0.00006330 -0.00003399 -4656 11.18111622 -0.00006322 -0.00003394 -4657 11.18349670 -0.00006314 -0.00003389 -4658 11.18587718 -0.00006306 -0.00003384 -4659 11.18825765 -0.00006298 -0.00003379 -4660 11.19063813 -0.00006290 -0.00003374 -4661 11.19301860 -0.00006282 -0.00003369 -4662 11.19539908 -0.00006274 -0.00003364 -4663 11.19777956 -0.00006266 -0.00003359 -4664 11.20016003 -0.00006258 -0.00003354 -4665 11.20254051 -0.00006250 -0.00003349 -4666 11.20492098 -0.00006242 -0.00003344 -4667 11.20730146 -0.00006234 -0.00003339 -4668 11.20968194 -0.00006226 -0.00003334 -4669 11.21206241 -0.00006218 -0.00003329 -4670 11.21444289 -0.00006210 -0.00003324 -4671 11.21682336 -0.00006202 -0.00003319 -4672 11.21920384 -0.00006195 -0.00003314 -4673 11.22158432 -0.00006187 -0.00003309 -4674 11.22396479 -0.00006179 -0.00003304 -4675 11.22634527 -0.00006171 -0.00003300 -4676 11.22872575 -0.00006163 -0.00003295 -4677 11.23110622 -0.00006155 -0.00003290 -4678 11.23348670 -0.00006147 -0.00003285 -4679 11.23586717 -0.00006140 -0.00003280 -4680 11.23824765 -0.00006132 -0.00003275 -4681 11.24062813 -0.00006124 -0.00003270 -4682 11.24300860 -0.00006116 -0.00003265 -4683 11.24538908 -0.00006108 -0.00003261 -4684 11.24776955 -0.00006101 -0.00003256 -4685 11.25015003 -0.00006093 -0.00003251 -4686 11.25253051 -0.00006085 -0.00003246 -4687 11.25491098 -0.00006077 -0.00003241 -4688 11.25729146 -0.00006070 -0.00003237 -4689 11.25967193 -0.00006062 -0.00003232 -4690 11.26205241 -0.00006054 -0.00003227 -4691 11.26443289 -0.00006047 -0.00003222 -4692 11.26681336 -0.00006039 -0.00003217 -4693 11.26919384 -0.00006031 -0.00003213 -4694 11.27157431 -0.00006024 -0.00003208 -4695 11.27395479 -0.00006016 -0.00003203 -4696 11.27633527 -0.00006009 -0.00003198 -4697 11.27871574 -0.00006001 -0.00003194 -4698 11.28109622 -0.00005993 -0.00003189 -4699 11.28347670 -0.00005986 -0.00003184 -4700 11.28585717 -0.00005978 -0.00003180 -4701 11.28823765 -0.00005971 -0.00003175 -4702 11.29061812 -0.00005963 -0.00003170 -4703 11.29299860 -0.00005955 -0.00003166 -4704 11.29537908 -0.00005948 -0.00003161 -4705 11.29775955 -0.00005940 -0.00003156 -4706 11.30014003 -0.00005933 -0.00003152 -4707 11.30252050 -0.00005925 -0.00003147 -4708 11.30490098 -0.00005918 -0.00003142 -4709 11.30728146 -0.00005910 -0.00003138 -4710 11.30966193 -0.00005903 -0.00003133 -4711 11.31204241 -0.00005896 -0.00003128 -4712 11.31442288 -0.00005888 -0.00003124 -4713 11.31680336 -0.00005881 -0.00003119 -4714 11.31918384 -0.00005873 -0.00003115 -4715 11.32156431 -0.00005866 -0.00003110 -4716 11.32394479 -0.00005858 -0.00003105 -4717 11.32632527 -0.00005851 -0.00003101 -4718 11.32870574 -0.00005844 -0.00003096 -4719 11.33108622 -0.00005836 -0.00003092 -4720 11.33346669 -0.00005829 -0.00003087 -4721 11.33584717 -0.00005822 -0.00003083 -4722 11.33822765 -0.00005814 -0.00003078 -4723 11.34060812 -0.00005807 -0.00003074 -4724 11.34298860 -0.00005800 -0.00003069 -4725 11.34536907 -0.00005792 -0.00003065 -4726 11.34774955 -0.00005785 -0.00003060 -4727 11.35013003 -0.00005778 -0.00003056 -4728 11.35251050 -0.00005771 -0.00003051 -4729 11.35489098 -0.00005763 -0.00003047 -4730 11.35727145 -0.00005756 -0.00003042 -4731 11.35965193 -0.00005749 -0.00003038 -4732 11.36203241 -0.00005742 -0.00003033 -4733 11.36441288 -0.00005734 -0.00003029 -4734 11.36679336 -0.00005727 -0.00003024 -4735 11.36917383 -0.00005720 -0.00003020 -4736 11.37155431 -0.00005713 -0.00003016 -4737 11.37393479 -0.00005706 -0.00003011 -4738 11.37631526 -0.00005698 -0.00003007 -4739 11.37869574 -0.00005691 -0.00003002 -4740 11.38107622 -0.00005684 -0.00002998 -4741 11.38345669 -0.00005677 -0.00002994 -4742 11.38583717 -0.00005670 -0.00002989 -4743 11.38821764 -0.00005663 -0.00002985 -4744 11.39059812 -0.00005656 -0.00002980 -4745 11.39297860 -0.00005649 -0.00002976 -4746 11.39535907 -0.00005642 -0.00002972 -4747 11.39773955 -0.00005634 -0.00002967 -4748 11.40012002 -0.00005627 -0.00002963 -4749 11.40250050 -0.00005620 -0.00002959 -4750 11.40488098 -0.00005613 -0.00002954 -4751 11.40726145 -0.00005606 -0.00002950 -4752 11.40964193 -0.00005599 -0.00002946 -4753 11.41202240 -0.00005592 -0.00002941 -4754 11.41440288 -0.00005585 -0.00002937 -4755 11.41678336 -0.00005578 -0.00002933 -4756 11.41916383 -0.00005571 -0.00002929 -4757 11.42154431 -0.00005564 -0.00002924 -4758 11.42392478 -0.00005557 -0.00002920 -4759 11.42630526 -0.00005550 -0.00002916 -4760 11.42868574 -0.00005543 -0.00002912 -4761 11.43106621 -0.00005537 -0.00002907 -4762 11.43344669 -0.00005530 -0.00002903 -4763 11.43582717 -0.00005523 -0.00002899 -4764 11.43820764 -0.00005516 -0.00002895 -4765 11.44058812 -0.00005509 -0.00002890 -4766 11.44296859 -0.00005502 -0.00002886 -4767 11.44534907 -0.00005495 -0.00002882 -4768 11.44772955 -0.00005488 -0.00002878 -4769 11.45011002 -0.00005482 -0.00002874 -4770 11.45249050 -0.00005475 -0.00002869 -4771 11.45487097 -0.00005468 -0.00002865 -4772 11.45725145 -0.00005461 -0.00002861 -4773 11.45963193 -0.00005454 -0.00002857 -4774 11.46201240 -0.00005447 -0.00002853 -4775 11.46439288 -0.00005441 -0.00002849 -4776 11.46677335 -0.00005434 -0.00002844 -4777 11.46915383 -0.00005427 -0.00002840 -4778 11.47153431 -0.00005420 -0.00002836 -4779 11.47391478 -0.00005414 -0.00002832 -4780 11.47629526 -0.00005407 -0.00002828 -4781 11.47867574 -0.00005400 -0.00002824 -4782 11.48105621 -0.00005393 -0.00002820 -4783 11.48343669 -0.00005387 -0.00002816 -4784 11.48581716 -0.00005380 -0.00002812 -4785 11.48819764 -0.00005373 -0.00002808 -4786 11.49057812 -0.00005367 -0.00002803 -4787 11.49295859 -0.00005360 -0.00002799 -4788 11.49533907 -0.00005353 -0.00002795 -4789 11.49771954 -0.00005347 -0.00002791 -4790 11.50010002 -0.00005340 -0.00002787 -4791 11.50248050 -0.00005333 -0.00002783 -4792 11.50486097 -0.00005327 -0.00002779 -4793 11.50724145 -0.00005320 -0.00002775 -4794 11.50962192 -0.00005314 -0.00002771 -4795 11.51200240 -0.00005307 -0.00002767 -4796 11.51438288 -0.00005300 -0.00002763 -4797 11.51676335 -0.00005294 -0.00002759 -4798 11.51914383 -0.00005287 -0.00002755 -4799 11.52152430 -0.00005281 -0.00002751 -4800 11.52390478 -0.00005274 -0.00002747 -4801 11.52628526 -0.00005268 -0.00002743 -4802 11.52866573 -0.00005261 -0.00002739 -4803 11.53104621 -0.00005255 -0.00002735 -4804 11.53342669 -0.00005248 -0.00002731 -4805 11.53580716 -0.00005242 -0.00002727 -4806 11.53818764 -0.00005235 -0.00002723 -4807 11.54056811 -0.00005229 -0.00002720 -4808 11.54294859 -0.00005222 -0.00002716 -4809 11.54532907 -0.00005216 -0.00002712 -4810 11.54770954 -0.00005209 -0.00002708 -4811 11.55009002 -0.00005203 -0.00002704 -4812 11.55247049 -0.00005196 -0.00002700 -4813 11.55485097 -0.00005190 -0.00002696 -4814 11.55723145 -0.00005184 -0.00002692 -4815 11.55961192 -0.00005177 -0.00002688 -4816 11.56199240 -0.00005171 -0.00002684 -4817 11.56437287 -0.00005164 -0.00002681 -4818 11.56675335 -0.00005158 -0.00002677 -4819 11.56913383 -0.00005152 -0.00002673 -4820 11.57151430 -0.00005145 -0.00002669 -4821 11.57389478 -0.00005139 -0.00002665 -4822 11.57627526 -0.00005133 -0.00002661 -4823 11.57865573 -0.00005126 -0.00002657 -4824 11.58103621 -0.00005120 -0.00002654 -4825 11.58341668 -0.00005114 -0.00002650 -4826 11.58579716 -0.00005107 -0.00002646 -4827 11.58817764 -0.00005101 -0.00002642 -4828 11.59055811 -0.00005095 -0.00002638 -4829 11.59293859 -0.00005088 -0.00002635 -4830 11.59531906 -0.00005082 -0.00002631 -4831 11.59769954 -0.00005076 -0.00002627 -4832 11.60008002 -0.00005070 -0.00002623 -4833 11.60246049 -0.00005063 -0.00002620 -4834 11.60484097 -0.00005057 -0.00002616 -4835 11.60722144 -0.00005051 -0.00002612 -4836 11.60960192 -0.00005045 -0.00002608 -4837 11.61198240 -0.00005039 -0.00002605 -4838 11.61436287 -0.00005032 -0.00002601 -4839 11.61674335 -0.00005026 -0.00002597 -4840 11.61912382 -0.00005020 -0.00002593 -4841 11.62150430 -0.00005014 -0.00002590 -4842 11.62388478 -0.00005008 -0.00002586 -4843 11.62626525 -0.00005002 -0.00002582 -4844 11.62864573 -0.00004995 -0.00002578 -4845 11.63102621 -0.00004989 -0.00002575 -4846 11.63340668 -0.00004983 -0.00002571 -4847 11.63578716 -0.00004977 -0.00002567 -4848 11.63816763 -0.00004971 -0.00002564 -4849 11.64054811 -0.00004965 -0.00002560 -4850 11.64292859 -0.00004959 -0.00002556 -4851 11.64530906 -0.00004953 -0.00002553 -4852 11.64768954 -0.00004947 -0.00002549 -4853 11.65007001 -0.00004940 -0.00002545 -4854 11.65245049 -0.00004934 -0.00002542 -4855 11.65483097 -0.00004928 -0.00002538 -4856 11.65721144 -0.00004922 -0.00002535 -4857 11.65959192 -0.00004916 -0.00002531 -4858 11.66197239 -0.00004910 -0.00002527 -4859 11.66435287 -0.00004904 -0.00002524 -4860 11.66673335 -0.00004898 -0.00002520 -4861 11.66911382 -0.00004892 -0.00002517 -4862 11.67149430 -0.00004886 -0.00002513 -4863 11.67387477 -0.00004880 -0.00002509 -4864 11.67625525 -0.00004874 -0.00002506 -4865 11.67863573 -0.00004868 -0.00002502 -4866 11.68101620 -0.00004862 -0.00002499 -4867 11.68339668 -0.00004856 -0.00002495 -4868 11.68577716 -0.00004851 -0.00002492 -4869 11.68815763 -0.00004845 -0.00002488 -4870 11.69053811 -0.00004839 -0.00002484 -4871 11.69291858 -0.00004833 -0.00002481 -4872 11.69529906 -0.00004827 -0.00002477 -4873 11.69767954 -0.00004821 -0.00002474 -4874 11.70006001 -0.00004815 -0.00002470 -4875 11.70244049 -0.00004809 -0.00002467 -4876 11.70482096 -0.00004803 -0.00002463 -4877 11.70720144 -0.00004798 -0.00002460 -4878 11.70958192 -0.00004792 -0.00002456 -4879 11.71196239 -0.00004786 -0.00002453 -4880 11.71434287 -0.00004780 -0.00002449 -4881 11.71672334 -0.00004774 -0.00002446 -4882 11.71910382 -0.00004768 -0.00002442 -4883 11.72148430 -0.00004763 -0.00002439 -4884 11.72386477 -0.00004757 -0.00002435 -4885 11.72624525 -0.00004751 -0.00002432 -4886 11.72862573 -0.00004745 -0.00002428 -4887 11.73100620 -0.00004739 -0.00002425 -4888 11.73338668 -0.00004734 -0.00002422 -4889 11.73576715 -0.00004728 -0.00002418 -4890 11.73814763 -0.00004722 -0.00002415 -4891 11.74052811 -0.00004716 -0.00002411 -4892 11.74290858 -0.00004711 -0.00002408 -4893 11.74528906 -0.00004705 -0.00002404 -4894 11.74766953 -0.00004699 -0.00002401 -4895 11.75005001 -0.00004693 -0.00002398 -4896 11.75243049 -0.00004688 -0.00002394 -4897 11.75481096 -0.00004682 -0.00002391 -4898 11.75719144 -0.00004676 -0.00002387 -4899 11.75957191 -0.00004671 -0.00002384 -4900 11.76195239 -0.00004665 -0.00002381 -4901 11.76433287 -0.00004659 -0.00002377 -4902 11.76671334 -0.00004654 -0.00002374 -4903 11.76909382 -0.00004648 -0.00002371 -4904 11.77147429 -0.00004642 -0.00002367 -4905 11.77385477 -0.00004637 -0.00002364 -4906 11.77623525 -0.00004631 -0.00002361 -4907 11.77861572 -0.00004626 -0.00002357 -4908 11.78099620 -0.00004620 -0.00002354 -4909 11.78337668 -0.00004614 -0.00002351 -4910 11.78575715 -0.00004609 -0.00002347 -4911 11.78813763 -0.00004603 -0.00002344 -4912 11.79051810 -0.00004598 -0.00002341 -4913 11.79289858 -0.00004592 -0.00002337 -4914 11.79527906 -0.00004586 -0.00002334 -4915 11.79765953 -0.00004581 -0.00002331 -4916 11.80004001 -0.00004575 -0.00002327 -4917 11.80242048 -0.00004570 -0.00002324 -4918 11.80480096 -0.00004564 -0.00002321 -4919 11.80718144 -0.00004559 -0.00002318 -4920 11.80956191 -0.00004553 -0.00002314 -4921 11.81194239 -0.00004548 -0.00002311 -4922 11.81432286 -0.00004542 -0.00002308 -4923 11.81670334 -0.00004537 -0.00002304 -4924 11.81908382 -0.00004531 -0.00002301 -4925 11.82146429 -0.00004526 -0.00002298 -4926 11.82384477 -0.00004520 -0.00002295 -4927 11.82622525 -0.00004515 -0.00002292 -4928 11.82860572 -0.00004509 -0.00002288 -4929 11.83098620 -0.00004504 -0.00002285 -4930 11.83336667 -0.00004499 -0.00002282 -4931 11.83574715 -0.00004493 -0.00002279 -4932 11.83812763 -0.00004488 -0.00002275 -4933 11.84050810 -0.00004482 -0.00002272 -4934 11.84288858 -0.00004477 -0.00002269 -4935 11.84526905 -0.00004471 -0.00002266 -4936 11.84764953 -0.00004466 -0.00002263 -4937 11.85003001 -0.00004461 -0.00002259 -4938 11.85241048 -0.00004455 -0.00002256 -4939 11.85479096 -0.00004450 -0.00002253 -4940 11.85717143 -0.00004445 -0.00002250 -4941 11.85955191 -0.00004439 -0.00002247 -4942 11.86193239 -0.00004434 -0.00002244 -4943 11.86431286 -0.00004429 -0.00002241 -4944 11.86669334 -0.00004423 -0.00002237 -4945 11.86907381 -0.00004418 -0.00002234 -4946 11.87145429 -0.00004413 -0.00002231 -4947 11.87383477 -0.00004407 -0.00002228 -4948 11.87621524 -0.00004402 -0.00002225 -4949 11.87859572 -0.00004397 -0.00002222 -4950 11.88097620 -0.00004391 -0.00002219 -4951 11.88335667 -0.00004386 -0.00002215 -4952 11.88573715 -0.00004381 -0.00002212 -4953 11.88811762 -0.00004376 -0.00002209 -4954 11.89049810 -0.00004370 -0.00002206 -4955 11.89287858 -0.00004365 -0.00002203 -4956 11.89525905 -0.00004360 -0.00002200 -4957 11.89763953 -0.00004355 -0.00002197 -4958 11.90002000 -0.00004349 -0.00002194 -4959 11.90240048 -0.00004344 -0.00002191 -4960 11.90478096 -0.00004339 -0.00002188 -4961 11.90716143 -0.00004334 -0.00002185 -4962 11.90954191 -0.00004329 -0.00002182 -4963 11.91192238 -0.00004323 -0.00002179 -4964 11.91430286 -0.00004318 -0.00002175 -4965 11.91668334 -0.00004313 -0.00002172 -4966 11.91906381 -0.00004308 -0.00002169 -4967 11.92144429 -0.00004303 -0.00002166 -4968 11.92382476 -0.00004298 -0.00002163 -4969 11.92620524 -0.00004292 -0.00002160 -4970 11.92858572 -0.00004287 -0.00002157 -4971 11.93096619 -0.00004282 -0.00002154 -4972 11.93334667 -0.00004277 -0.00002151 -4973 11.93572715 -0.00004272 -0.00002148 -4974 11.93810762 -0.00004267 -0.00002145 -4975 11.94048810 -0.00004262 -0.00002142 -4976 11.94286857 -0.00004257 -0.00002139 -4977 11.94524905 -0.00004252 -0.00002136 -4978 11.94762953 -0.00004246 -0.00002133 -4979 11.95001000 -0.00004241 -0.00002130 -4980 11.95239048 -0.00004236 -0.00002127 -4981 11.95477095 -0.00004231 -0.00002124 -4982 11.95715143 -0.00004226 -0.00002121 -4983 11.95953191 -0.00004221 -0.00002119 -4984 11.96191238 -0.00004216 -0.00002116 -4985 11.96429286 -0.00004211 -0.00002113 -4986 11.96667333 -0.00004206 -0.00002110 -4987 11.96905381 -0.00004201 -0.00002107 -4988 11.97143429 -0.00004196 -0.00002104 -4989 11.97381476 -0.00004191 -0.00002101 -4990 11.97619524 -0.00004186 -0.00002098 -4991 11.97857572 -0.00004181 -0.00002095 -4992 11.98095619 -0.00004176 -0.00002092 -4993 11.98333667 -0.00004171 -0.00002089 -4994 11.98571714 -0.00004166 -0.00002086 -4995 11.98809762 -0.00004161 -0.00002083 -4996 11.99047810 -0.00004156 -0.00002081 -4997 11.99285857 -0.00004151 -0.00002078 -4998 11.99523905 -0.00004146 -0.00002075 -4999 11.99761952 -0.00004141 -0.00002072 -5000 12.00000000 -0.00004136 -0.00002069 diff --git a/examples/saftvrqmie/quantum_fluid_dft.ipynb b/examples/saftvrqmie/quantum_fluid_dft.ipynb deleted file mode 100644 index 3998425fd..000000000 --- a/examples/saftvrqmie/quantum_fluid_dft.ipynb +++ /dev/null @@ -1,290 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "06b263a1-b920-4b97-9bdf-238a87893e92", - "metadata": {}, - "source": [ - "# Surface tension calculations using DFT for fluids experiencing quantum effects \n", - "Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon and their mixtures ([doi:10.1063/5.0137226](https://doi.org/10.1063/5.0137226))" - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "id": "7f9082f3-e3e2-421b-b09a-a39160a83183", - "metadata": {}, - "outputs": [], - "source": [ - "from feos import *\n", - "from feos.dft import *\n", - "from feos.saftvrqmie import *\n", - "import matplotlib.pyplot as plt\n", - "import si_units as si\n", - "import numpy as np\n", - "import seaborn as sns\n", - "import json\n", - "\n", - "sns.set_context('talk')\n", - "sns.set_palette('Dark2')\n", - "sns.set_style('ticks')" - ] - }, - { - "cell_type": "markdown", - "id": "0c514e92-9e5b-45a5-98b1-81f83eb4c104", - "metadata": {}, - "source": [ - "# Pure fluid surface tension correlations" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "b334936e-587b-44d0-a92e-6dacd5f08e73", - "metadata": {}, - "outputs": [], - "source": [ - "def surftens_mulero2012(fluid, tr):\n", - " \"\"\"\n", - " Calculate pure fluid surface tension using Mulero 2012 correlation (doi:10.1063/1.4768782)\n", - " Args:\n", - " fluid (str): Component name\n", - " tr (np.ndarray): Reduced temperature\n", - " Returns:\n", - " sigma (np.ndarray): Surface tension (mN/m)\n", - " \"\"\"\n", - " ff = open(\"mulero_2012_parameters.json\", \"r\")\n", - " complist = json.load(ff)\n", - " ff.close()\n", - " sigma = np.zeros_like(tr)\n", - " for i in range(len(complist[fluid][\"sigma\"])):\n", - " sigma[:] += complist[fluid][\"sigma\"][i] * \\\n", - " (1-tr[:])**complist[fluid][\"n\"][i]\n", - " return sigma * si.NEWTON / si.METER / (si.MILLI * si.NEWTON/ si.METER) " - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "58b2d141-7ab7-4938-b888-bc950d942848", - "metadata": {}, - "outputs": [], - "source": [ - "def surftens(param, tr):\n", - " \"\"\"\n", - " Calculate pure fluid surface tension A(1-tr)**(B+C*tr+D*tr**2)\n", - " Args:\n", - " param (np.ndarray): \n", - " tr (np.ndarray): Reduced temperature\n", - " Returns:\n", - " sigma (np.ndarray): Surface tension (mN/m)\n", - " \"\"\"\n", - " A = param[0]\n", - " exponent = np.zeros_like(tr)\n", - " exponent[:] = param[1]\n", - " for i in range(2,len(param)):\n", - " exponent += param[i]*tr**(i-1)\n", - " sigma = A*(1-tr)**exponent\n", - " return sigma * si.NEWTON / si.METER / (si.MILLI * si.NEWTON/ si.METER)" - ] - }, - { - "cell_type": "markdown", - "id": "f445dc40-3c4f-417d-a430-ed4b11d9216f", - "metadata": {}, - "source": [ - "# Pure fluid parameters" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "54513546-2b6a-4f44-9c2f-9f5f59fd9c1d", - "metadata": {}, - "outputs": [], - "source": [ - "fluid_param = {}\n", - "fluid_param[\"hydrogen\"] = {\"Tc\": 33.145, \"Tnb\": 20.369, \"xlim\": [19.5, 34.0], \"ylim\": [-0.1, 2.2], \"param\": None} #Alternative correlation from Hammer et al. (2023): [0.00480413, 0.67152591, 0.47781899]\n", - "fluid_param[\"para-hydrogen\"] = {\"Tc\": 32.938, \"Tnb\": 20.271, \"xlim\": [19.5, 34.0], \"ylim\": [-0.1, 2.2], \"param\": [0.00471037, 0.62668507, 0.51110266]} #Correlation parameters from Hammer et al. (2023)\n", - "fluid_param[\"neon\"] = {\"Tc\": 44.49, \"Tnb\": 27.1, \"xlim\": [26.0, 46.0], \"ylim\": [-0.1, 5.5], \"param\": None}\n", - "fluid_param[\"deuterium\"] = {\"Tc\": 38.34, \"Tnb\": 23.661, \"xlim\": [22.5, 39.5], \"ylim\": [-0.1, 3.1], \"param\": None}" - ] - }, - { - "cell_type": "markdown", - "id": "9ab9a113-6e49-48d4-acb5-cee8966087f2", - "metadata": {}, - "source": [ - "# Select fluid and set up functional" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "id": "aa462031-732f-479b-80c3-2fb66e48d6d2", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Calculating surface tension for \u001b[1mhydrogen\n" - ] - } - ], - "source": [ - "substances = [\"hydrogen\", \"para-hydrogen\", \"neon\", \"deuterium\"]\n", - "substance = substances[0] # Setting fluid\n", - "print(f\"Calculating surface tension for \\033[1m{substance}\")" - ] - }, - { - "cell_type": "markdown", - "id": "adfa3259-d508-482b-8314-290d3d1781f5", - "metadata": {}, - "source": [ - "# Set up functional" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "4c8f318f-56e0-4a48-b21b-1ecab6bc10a3", - "metadata": {}, - "outputs": [], - "source": [ - "parameters = SaftVRQMieParameters.from_json([substance], \"../../parameters/saftvrqmie/hammer2023.json\")\n", - "func = HelmholtzEnergyFunctional.saftvrqmie(parameters)\n", - "Tc = fluid_param[substance][\"Tc\"]\n", - "Tnb = fluid_param[substance][\"Tnb\"]\n", - "state = State(func, temperature=Tnb * si.KELVIN, pressure=20.0 * si.BAR)\n", - "model_tc = State.critical_point(func).temperature" - ] - }, - { - "cell_type": "markdown", - "id": "2ee15889-18da-4802-842f-5e042d673ecb", - "metadata": {}, - "source": [ - "# Calculate and plot surface tension" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "c284f4b3-af36-4d50-8391-a7e44148b050", - "metadata": {}, - "outputs": [], - "source": [ - "dia = PhaseDiagram.pure(func, Tnb * si.KELVIN, npoints=50)\n", - "sft_dia = SurfaceTensionDiagram(dia.states, n_grid=1024, l_grid=200 * si.ANGSTROM , critical_temperature=model_tc)\n", - "surf_tens = sft_dia.surface_tension / (si.MILLI* si.NEWTON / si.METER)" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "4e69ad65-f86a-432a-8c1b-b6a2378ff9ec", - "metadata": {}, - "outputs": [], - "source": [ - "tr = np.linspace(Tnb/Tc, 1.0, 100)\n", - "if fluid_param[substance][\"param\"] is None:\n", - " s_corr = surftens_mulero2012(substance, tr)\n", - " corr_label = \"Mulero et al. (2012)\"\n", - "else:\n", - " s_corr = surftens(fluid_param[substance][\"param\"], tr)\n", - " corr_label = \"Hammer et al. (2023)\"" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "id": "0247cea8-f6cd-436f-9e98-7dc14130e5ec", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "iVBORw0KGgoAAAANSUhEUgAAAZ0AAAEeCAYAAABR+8jUAAAAOXRFWHRTb2Z0d2FyZQBNYXRwbG90bGliIHZlcnNpb24zLjkuMywgaHR0cHM6Ly9tYXRwbG90bGliLm9yZy/GU6VOAAAACXBIWXMAAAsTAAALEwEAmpwYAABH1klEQVR4nO3dd3wUxfvA8c+l94QQSujVAUFpoUiVIkWFAAJiQZoKooKAfFEExYKIUiyAigXlp4KCVFERBAERBJReRqRDICGEhPR6vz/2EpMQ0rjkLsnzfr3yOrM7s/usy+a52Z2dMZnNZoQQQoji4GDrAIQQQpQdknSEEEIUG0k6Qgghio0kHSGEEMVGko4QQohi42TrAOyZUioFIzFft3UsQghRgvgAaVrrG3KMJJ3cOQAmb29vX1sHIoQQJUV0dDTc5E6aJJ3cXff29vbdu3evreMQQogSIygoiOjo6BzvEMkzHSGEEMVGko4QQohiI0lHCCFEsZGkI4QQothI0hFCCFFsJOkIIYQoNpJ0hBBCFBtJOkIIIYqNJB0hhBDFRpKOEMJuKaU4e/asrcO4ZV26dOGPP/7Id/k5c+bwxRdfFF1A+TRgwABOnDhh1W1K0hFCWF2XLl1o3LgxERERWZb37dsXpRQXLlywUWSFU5zJLyIigtWrVzN48GAA9u/fz/Dhw2nVqhVt2rRh7NixhIWFZZQ3m8288847tG7dmtatW/POO+9gNpsz1k+bNo0ePXrQoEEDVq5cmWVfq1aton///jRv3pyOHTvy9ttvk5KSkrF+xIgRvP/++1Y9PrtJOkqplkqpBUqpo0qpWKXUOaXUMqVUvXzWr6qU+k4pFamUuq6UWq2Uql3UcQshcla1alXWr1+f8bvWmvj4+GLZd+Y/nCXNypUr6dSpE25ubgBERUUxaNAgNm/ezJYtW/D09OTFF1/MKP/tt9+yadMm1qxZw9q1a9myZQvLli3LWN+gQQOmT5/O7bfffsO+4uPjmTJlCrt27WL58uXs2rWLzz//PGN9165d+fPPP7ly5YrVjs9ukg4wGegPbALGAYuAu4F9SqmGuVVUSnkBW4AOwAzgFaA58JtSqlwRxiyEXUm6cDHXn7S4uIyy5tTUvMsnJv5XPjm5QLEEBwezevXqjN9Xr15N3759s5QZMmQIy5cvz/h95cqVPPTQQzkfW1ISs2bN4u6776Zt27a8/PLLJCQkAPDnn3/SsWNHFi1aRLt27XjxxRdJSkpixowZtG/fnvbt2zNjxgySkpJuGu+KFSvo1asXLVu2ZOTIkVy8eBGARx55JON4mjVrxo8//nhD3XPnzvHYY49ltDYmTpzI9euFmxFl27ZttGzZMuP3Tp060atXL7y8vHB3d+fRRx/l77//zli/evVqRowYQeXKlalUqRLDhw9n1apVGesfeeQR7rrrLlxdXW/Y18MPP0xQUBAuLi5UqlSJ3r17Z9m2q6srjRo14vfffy/UseTEnkaZngs8rLXO+FehlPoWOISRkIblUncMUA9oobXeZ6n7E3AYGA+8XEQxC2FXTnbrluv6qu+9h0+P7gCkXr+eZ/kaX36JZ+tWACRduIBr7fzfPGjatClr1qzh5MmT1KpVi/Xr17N06VLefffdfG8js9mzZ3Pu3DlWr16Nk5MTzz//PAsWLGDixIkAhIeHExUVxZYtW0hLS+PDDz/kwIEDrFmzBpPJxJgxY1i4cCHPPffcDdvetGkTH3/8MR999BE1a9Zk0aJFTJw4kWXLlvH111+jlGLNmjXUrFkzx9jMZjOjRo2iZcuWxMTE8Oyzz/LBBx/w0ksvFfg4//nnH2rn8v95z5491K9fP+P3EydO0KBBg4zfGzRoUOjnMHv27KFevaw3l+rWrcvx48cLtb2c2E1LR2v9R+aEY1l2AjgC5NrSAQYAu9ITjqXuceBXYJC1YxVC5E96a2fHjh3UrVuXSpUqFWo7ZrOZ7777jilTpuDn54eXlxejRo3KcvvOwcGBsWPH4uLigpubG+vWrePpp5+mfPny+Pv78/TTT7N27doct79s2TKefPJJ6tati5OTE6NHj+bYsWMZrZ281KxZk3bt2uHi4oK/vz/Dhw9nz549hTrW6OhoPD09c1x3/PhxFi5cyP/+97+MZXFxcXh5eWX87u3tTVxcXJbnOvmxYsUKDh8+zIgRI7Is9/T0LHSrLSf21NK5gVLKBFQCDuRSxgG4E+N2XHa7gXuUUh5a67gc1gtRqtTdtCnX9U7+/91tdvTxybt8hYCM/3apVq3A8QQHB/Poo49y4cIFgoODC1w/XUREBPHx8fTv3z9jmdlsJi0tLeP3cuXKZbmFFBYWRpUqVTJ+r1KlSpYH8JmFhITw5ptvMmvWrCzbDw0NpWrVqnnGFx4ezowZM9i7dy+xsbGYzWZ8fHwKdIzpfHx8iI2NvWH52bNneeKJJ5gyZQpBQUEZyz08PLKUj4mJwcPDA5PJlO99btq0iblz57J48WL8/f2zrIuNjS30seTErpMO8AhQFcitjeoPuAKXclh3CTABgcDJ7CuVUpF57F9mDBUliku1vP9ApjM5OhasvLNzgeOpWrUq1apVY+vWrcyYMeOG9e7u7lk6F4SHh+e4nXLlyuHm5sb69etv2lrK/ke2YsWKhISEZNyKunTpEhUrVsyxbmBgIKNHj6ZPnz75Oq7s5s6di8lkYt26dfj5+bFp0yZee+21Qm1LKcWZM2e48847M5ZdvHiR4cOHM2bMmBuei9WvX5/jx49nlD9+/HiW22952bZtG1OnTmXRokUopW5Yf/LkyUL/f8mJ3dxey04p1QBYAPwO/F8uRd0tn4k5rEvIVkYIUcxmzJjBl19+iYeHxw3rGjZsyMaNG4mPj+fs2bOsWLEix204ODgwcOBA3nzzTa5evQpAaGgo27dvv+l+77vvPj788EMiIiKIiIhgwYIF9O7dO8eygwcPZtGiRRnPQqKjo/npp58y1gcEBHD+/Pmb7is2NhYPDw+8vb0JDQ3l008/vWnZvHTq1CnLrbnQ0FCGDh3KI488kmMni+DgYBYvXkxoaCihoaEsXryYfv36ZaxPSkoiMTERs9lMSkoKiYmJGS3EnTt3MmnSJD744IMsSS5dYmIiR44coW3btoU+nuzssqWjlKoMrAeuAQO11mm5FE//mnRj1wxwy1YmC621Xx5xRCKtHSFuSY0aNW66bujQoRw6dIi2bduilKJ37943fYly0qRJLFiwgEGDBnHt2jUqVarEQw89RIcOHXIsP2bMGGJjYzO+pffs2ZMxY8bkWPaee+4hNjaWCRMmcPHiRby9vWnbti29evUC4JlnnuGFF14gISGB1157jXvvvTdL/WeeeYbJkycTFBREjRo1CA4OvunLnWvXruXjjz/O8jwqs+DgYPr27UtCQgJubm4sX76c8+fPM3/+fObPn59Rbt8+4xH24MGDOX/+fEZCHTBgQMY7PgAjR45k9+7dGXWmTZvGkiVLaN26NQsXLiQ6Oponn3wyo3yLFi0ykubmzZtp1apVoZ/F5cRU0IdNRU0p5Qv8BlQH2mmtdR7lHYA4YJHWemy2da9j3JrzKswzHaVUpLe3t+/evXsLWlUIIQpt7ty5+Pv7M2zYMJvGMXDgQGbMmMFtt91WoHpBQUFER0dH5fTF3q5aOkopN2AdcBvQNa+EA6C1TlNKHQKCcljdGjghnQiEECXJhAkTbB0CQJZ3qKzFbp7pKKUcgW+BuzBuqe26Sbkaluc9ma0A2iilmmUqp4AugPX/rwkhhCgUe2rpzAH6YLR0/JVSj2ZaF6O1Xm357yVAJ4xeaekWAk8APyql5gApwASM3mvzijhuIYQQ+WRPSaep5bO35Sezs8Dqm1XUWkcrpe7GSDDTMFpwW4DntNZXrR2oEEKIwrGbpKO1vvtWymmtLwADrRhSkbj62We4N2+OR7NmeRcWQohSxm6e6ZQFsTt3EvbObM4+OoQrH8zHXIJHwhVCiMKQpFOMnAICcFUKUlMJX7CAM488QlIpmKBKCCHyS5JOMXKtX59ay7/D39L3PuHAQU7160/k998XeHA+IYQoiSTpFDMHFxcqvTCZGos/x6lSJcxxcVx6aSoXx44j5do1W4cnhBBFym46EpQ1nnfdRZ01q7n0ynSiN2wgZvt2Uq9dw6mczDknSr4uXboQHh6Oo6Mjjo6O1KtXj+DgYB588EEcHBx44YUX+OGHH3DONIjoyJEj+eyzzwBjhOf4+Pgs47WtX78+y6jRomSSpFOMtv5zhfikFLrfXhkHBxOOfn5UfXceUatWgzkN1zp1bB2iEFbz0Ucf0bZtW6Kjo9m9ezczZszg4MGDzJw5EzCSzPjx47PUeeaZZwC4cOECXbt2Zc+ePTg5yZ+p0kTOZjFJTEll+OLdpJmhTR1/Zj1wJzXLe2IymfDr3y9L2bS4OEImTybgmWdwy2GocSFykpyaxuWohLwL3oLKvm44Oxbsrry3tzddu3alQoUKDBo0iOHDhxdRdKIkkKRTTFydHBnathaLd5xh16kIer67nUk9FMPa1sLBIes8IKFvv030xk3E/LaVChMm4D/0MUwO8vhN3Fxyahrd5m7l7NWiHWawZnkPNk3oVODEA3DnnXdSuXJlZADdsk3+khWjV3o3YvGwllT2cSM+OZXXfjjKoI93cupKTJZyfv364VyzBubkZMJmzeLcyJEkX75so6iFsJ6KFSsSFRUFwOeff05QUBBBQUG0bt3axpGJ4iItnWLWuUFFfpnQkZk/HmPp7vPsPXuNXu9tZ8I9t/F4hzo4Ophwb9KEOitXEvrWW0QuX0Hczl2cCu5L4KvT8enZ09aHIOyQs6MDmyZ0ssvba5mFhobi62tMUTVixIgbnumI0k+Sjg34uDkzs/+d3HdHFSZ/f5CLkfHM/Ok4Px2+zOyBd1KvojcOnp4Evv46Xp06cWnqNFIjI7n43Hhi+m6l8isv4+Auk6GKrJwdHajuf+PsnPbi4MGDhIaG0qJFCw4ePGjrcISNyO01G2pfP4AN4zsypE1NAPafj+Te939n4W//kpJqTJbq3a0btdeuwbN9ewCSLpzH5OJis5iFKKiYmBi2bNnChAkT6NOnD0o6x5Rp0tKxMS9XJ17v25hed1Rm8vcHOR8Rz9s/a34+fJl3BjRBVfbGuWJFqn+yiGvffINXp7sxOTpm1DebzZhMplz2IIRtjB49GkdHRxwcHKhXrx7Dhw/PMo2yKJvsbrpqe1Lc01XHJqbwzgbNF3+cAcDZ0cS4rvUZ1alujvfRY//cTdicOVR56y1c69QulhiFECIvuU1XLbfX7IinqxPT+zTi2yfbULO8B8mpZmb/8g/9Fu7g+OXrWcqak5K4NGUKCQcPcrp/f64tWybjtwkh7J4kHTvUuk55fh7XkeHtamEyweGL1+n9we988OsJki3PekwuLgTOfBOnKoGYExK4PP1VLox+ipTwcBtHL4QQNydJx065uzjySu9GfDfqLmpZWj1zNhqtnmOXjFaPZ6tW1Fm9Gp/exkSrMVu3cqpPMNGbt9gydCGEuClJOnauZS1/fhrXkZHta2e0evrM/533La0eRx8fqr7zNlVmz8bB25vUiAgujBnD5TfftHXoQghxA0k6JYC7iyPT7r+d5aPuonaAJ8mpZuZu/Ie+C/5r9fjefx911qzGo1UrAFyq17BlyEIIkSNJOiVIUC1/fhzbgcctrZ4jIVlbPc5VqlDji8VUnTuHco88nFEvLTFRpsYWQtgFSToljLuLI1NzaPWk93AzOTjgc++9WQYIDZs1i7OPDiHp3DkbRi6EEJJ0Sqz0Vk/mZz3Ze7gBJJ46xbWly4jfv59TffsRuWKFdK0WQtiMJJ0SLP1Zz3eZWj3pPdz05WgAXOvUocZnn+JUsaIxNfbUaVx49llSIiJsHL0QoiySpFMKtMyh1XP/B9uZv/kEKalpeLZtS521a/Du0QOAmE2/cqpPMDFbt9o4ciFEWSNJp5TI3OqplWk0g/4f/sE/odEZU2MHvjUTB09PUsPDOT9qNBFLltg6dCFEGSJJp5RJf68nfTSDgxeiuP/931mw5V9S08z49e1L7TVrcG/RAgcPD7w6d7Z1yEKIMkSSTimUPprBsifaUMPfg6TUNN7ZoHngo538GxaNS7Wq1FzyJTWXfoNL9eoZ9ZIuXJCu1UKIIiVJpxRrXac8Pz/XgWFtawFwwDJfz8dbT5JmcsAt07wmqdHRnHtsqHStFkIUKUk6pZyHizFy9dIn2lDd352klDRm/nScgR/9wckrMRnlYrZuIzkkhPj9+zktXauFEEVEkk4ZcVddY+Tq9FlK/z4Xyb3vbefT7adITTPje/99VLd0rU5L71r9zLOkXL1q48iFEKWJJJ0yxNMyS+nXj7emqp87iSlpvLH+GA9+vJPT4bF4tWtndK3u2ROAmF+NrtXRW2TUaiGEdUjSKYPa1Qtgw/iOPNTKGBR079lr9HpvG1/sOI3Jx5eq8+ZS5e1ZOHh5kXr1KheeGkPsH3/YOGohRGkgSaeM8nJ1Ymb/O1gyohWBvm4kJKcxfd1RHvpkF+cj4vHt08cYtbplSzzuaoNHmza2DlkIUQqY7OlhsVIqEBgHtAaCAC+gs9b6t3zU/QIYmsOqP7XWhfqLqZSK9Pb29t27d29hqpcY1xOSeeOHo3y39wIAHi6OvHhvQx5pVQMTZtJiYnD08ckoH/3bb3i1a4fJ2dlWIQsh7FhQUBDR0dFRWmu/7OvsraWjgMlANeBgIerHAUOy/bxitehKKR83Z94e0ITFw1pSyceVuKRUpq0+zJDP/+RiVEKWhBOz/XcujH6KMw8/QuKp0zaMWghREtlb0vkLCNBa1wfeKUT9ZK31V9l+Nlg5xlKrc4OK/PJcJ/o3rwrAjn+v0vPd7SzbfS6j+3TCsWNgMpFw6BCn+/cn4ptvpGu1ECLf7CrpaK2jtda31EdXKeWolPK2Vkxlja+HM3MHNeWTx4II8HIlJjGFF1YeYtjiPVyKiifgySeo8cUXOAUGYk5IIPS11zn/5CiSw8JsHboQogSwq6RjBd7AdeC6UipcKTVXKeVm66BKontur8TG8R3p3aQKAFv/uUL3edv4/q8LeLRqSZ01q/EN7gNA7PbtnO7dh+sbfrFlyEKIEsDJ1gFY0SXgbWAf4Aj0BsYDDYFeOVVQSkXmsU1fK8ZX4pTzdOGDh5rRq3Flpq4+TERsEhOXH+Cnw5d4s/8dVJk1C6/Onbn0ynRSo6IIefFFPFo0xykgwNahCyHsVKlJOlrrF7MtWqqUugBMUkrdo7XeaIu4SoN77wikVW1/pq46zM9HLrPpWBh7523jteDG9O7RA/dmzbk0ZQrePbpLwhFC5KrUJJ2bmANMAroCNySdnLrzZWZpCZXp1k66AC9XPny0OWsPhPDK2iNExiUzduk+fjp0iTf6Nqb6p59kKZ8aE0PEkiWUHzkSB1dXG0UthLA3pe2ZThZa61AgCfC3dSylgclkIrhpVX55riPdGlYE4KfDl+k+bxs/H76MyWTKKBs6cybh73/AmQEDSTh+3FYhCyHsTKFaOkqp24BGQEXADFwBDmutT1gxtlumlKoGuGDEJ6ykoo8bnzwWxPd/X+TVdUe4GpvEU1//TZ8mVXi1TyP8PJxxrhwIjo4knjjB6YGDqDhuLP7Dh2NydLR1+EIIG8p30lFKNQRGAwOAypbF6V9tzZYyocB3wMda62NWjDN7LHUBtNYnLb+7Ac5a6+hsRadZPuVdHSszmUwMaFGNdvXKM/n7Q2z75wprD4Sw89RVZva7g27PPoNXp46ETPofSWfPEjZ7DtFbfqPKrLdwqVbN1uELIWwkz2FwLH/gZwH9gHhgO7ATOAlcxUg8/kA9oA3QAXAHVgKTtdanChKQUmqq5T8bAg8DnwOngUit9XxLmTMAWutalt9rYfRa+wY4jnHbsDfGs5xvtdaDCxJDpljKxDA4t8psNrNsz3ne+OEosUmpADzQvBov974db3Myoe+8Q+TSZQA4eHhQ6aUp+Pbvn+V2nBCi9MhtGJz8tHSOAoeAYcBKrXVsboWVUp4YraFxlroFfU/m9Wy/j7B8ngXm36ROJPAD0N0SpwPwDzAReK+A+xcFZDKZeKhVDdrXC+B/Kw6y89RVvv/7Ajv+DWfWgDvp9MoreHfpwqUpL5Fy5QpR637At18/kKQjRJmTn5ZOH6312sJsXCkVrLVeU6jI7IC0dAouLc3MV3+eZeaPx4lPNlo9D7Wqzkv33Y5bXDRh78ymwrPP4BwYaONIhRBFJbeWjl2NMm1vJOkU3pnwWCatOMCeM9cAqOrnzjsD76Rt3azv8cTs2MH1H3+k0osv4ujlZYtQhRBWVpJGmRalRK0AT5Y9eRdT72uIq5MDFyPjefiTP3llzWHiklIASI2O5tKUl4j6fiWng/sSt2ePjaMWQhS1QrV0lFIPA08D9YHyORQxa61L/Iun0tKxjn/DYnh++QH2n48EoFZ5D2YPbEKLGn5c++prwubMwZyYCCYT/sOHU2HcWHmhVIgSzKq31yy9y14FQoHdwLWcymmthxc8VPsiScd6UlLTWLT9FO9uPEFSahomEzzevjYTuytM584Q8r/JJBw5AoBr/fpUeedt3Bo0sHHUQojCsHbSCQGOAT211snWCdE+SdKxPn05monL93P44nUA6lbwZM6gpjSp7En4hx8R/vHHkJoKzs5Uen4i/kNzmgxWCGHPrP1Mxwf4rrQnHFE0VGVvVo1px/hut+HkYOLklVj6L9zB7M0n8RkzhlpLv8GlVi1ITsbkKrNSCFHaFCbp7AOqWzsQUXY4Ozowrlt9Vj/djgaVvUkzw4ItJwmev4OT5WtSe9VKKr08Db8HB2XUSUtKkhlKhSgFCpN0pgKjlVLNrB2MKFsaV/VlzTPteLpzXRxMcPxyNH0X7OD9HefxfnBw1gFEX3+d86NkhlIhSrrC9l4LxhhjbRdwBkjNVsSstR55y9HZmDzTKT77z0cy8bv9nLxiDHjRqIoPcwY1oUFlH+IPH+HMgAEAOPr6Unn6K/j0ynFePiGEHbB2R4LWGANo+uRSzKy1LvHDCUvSKV4JyanM3fgPn2w/hdkMzo4mnut2G6M61iHulw1cnv4qqVFRAPjcdx+Vp03F0c/PtkELIW5g7aSzC6gDjAS2a60jrRGkPZKkYxt7z0Tw/PIDnLkaB0CT6n7MGXgnNYnn0rRpxG7dBoBTxYoEzpiBV4f2tgxXCJGNtXuv3QnM1lqvK80JR9hOUC1/fhrXkWFtawFw4Hwk977/O18cj6HKwg+p/NqrmDw8SAkL4/wTTxDx9de2DVgIkW+FSTphGLNxClFk3F0cmd6nEUufaEO1cu4kpaQx48djDF60i8gu91Fn9SrcmzfHwcsL786dbR2uECKfCpN0PgceVUqV+GFuhP27q255NjzXkUda1wBg79lr9HpvG9+cT6X6l19S8+uvca5SJaN84qlTpCXJdyIh7FVhEsfvwP3ALqXUQowJ1rL3XkNrve0WYxMCAE9XJ2b0u4OejSszecVBQqISmL7uKD8fucw7A5pkvDSWGhXFueEjcPTzo8qst2QYHSHsUGFaOpuAIKA58Knl9y2Zfn6zfAphVR3qV+Dn8R0ZFGRMd73rVAQ93t3GV7vOYjabid31JylXrpCoNacHDiL840WYU1JsHLUQIrPCtHRK/ECeouTycXPm7QFN6Nm4Mi98f4iw6ESmrj7Mz4cvM2tAB2p98zUhk18g6exZrsybR8zmzQS+NRPX2rVtHboQApnELVfSZdq+RcUlM33dEVbtuwiAl6sT0+5vyIBGAVyZO49rX30FgMnNjYrPP0+5hx/C5CBTSAlR1G65y7RS6rxS6gOlVFelVIl/6VOUDr4ezsx7sCkfD2lBgJcLMYkpTP7+ECO/PQzPTqTG4s9xCgzEnJBA6BtvELN5s61DFqLMy+/XvjVAX2AjEKaU+j+lVD+llEeRRSZEPvVoVJlfxneidxOjF9tv+gr3zNvKzy7Vqb1mNb79+uHZvj1eXbvaOFIhRIFurymlWgH9MBKQAuIxOhKsAtZpra8WQYw2I7fXSp4fD11i6urDRMQa3aa7NazIm/3uIMDNAQcXl4xy15Ytw7tbN5wCAmwVqhClllWHwUmnlGrAfwkoCEjD6E69ClittT5X2IDthSSdkik8JpGpqw7z85HLAPi6O/NacCP6NKmCyWQiZutWzo8ajWO5clSePh2fHt1tHLEQpYu1h8EBQGt9XGs9U2vdGqgBjMd4X2c2cFop9bdSqmdhty9EYQV4ufLho815/6Fm+Hk4ExWfzLhl+xn91V9ciU4kLTERBx8fUq9d4+K4cVx8fhKpkZG2DluIMsEqXXm01he11vO11t2AShjdqs8Aja2xfSEKymQy0adJFX4Z35FuDSsBsOFIKN3nbWVrpcbUWbcWzw4dALj+ww+c6hNMzDZ5n1mIoiZdpnMht9dKB7PZzOr9F3llzRGuJxgvi957R2Ve69MIxx/XEjprFuY4Y0Rrv4EDqDh5Mo5eXrYMWYgSrUhurwlRUphMJvo1q8bGCZ3o0qAiAD8eukz3d7fzR8MO1FmzGo+gIACu//gTaZY5e4QQ1pevEQmUUmsLuF2z1jq4EPEIUWQq+bjx2dAgVvx1gdd+OEpEbBJPf/M3990ZyGsffoL3ym9x8PXFuWpVW4cqRKmV32Fw7i/gduWenbBLJpOJgUHVaV8/gBe+P8TWf66w/uAl/jx1lTf6dqdn48CMsqnXr3Nh7DgqjB2LR/NmNoxaiNIjX0lHa53nbTilVCfgbaAlcOkW4xKiSAX6uvPF8JYs33uB1384SnhMEqO/+pveTarwWp9GlPN0IXTWLOJ27eLs7t2UHzGcgGefxcHV1dahC1Gi3fIzHaVUY6XUemAzxguj04D6t7pdIYqayWRiUMvqbBjfkQ71jZdE1x0IMUYzOHwZ/8cew7VhQ0hL4+qnn3H6gQeIP3zExlELUbIVOukopaorpb4A9gFdgfeBulrrGVrreCvFJ0SRq+LnzpIRrXir/x14uTpZWj1/MXlfHH6LlxAw5ilwdCTp35OcefBBrrz/PmaZKE6IQilw0lFKlVNKzQY0MAT4FmigtR5f2obBEWWHyWRicKsaWVo9a/aH0H3+LvZ1HUStZctwqVsXUlMJX/ghpx8cTMq1azaOWoiSJ99JRynlqpSaDJwEJgDbgRZa60e11meKKD4hilVVS6tnZkarJ5En/+8vXjiSjN9XS/EfOQJMJpz8/XH087N1uEKUOPntMj0SmA5UAf4GXtBa/1qEcQlhMyaTiYda1aDjbRWYvOIgv/8bzpr9Iez49yoz+g2hQ9duOAdWxmQyZdRJDgvDuWJFG0YtRMmQ3y7Tn2B0g94LfAc0UUo1yaW8WWs9r6DBKKUCgXFAa4xBRL2Azlrr3/JZvyEwD2gPJAHrgIla6/CCxiJEVT93/m9kK5buPs+bPx4jPCaRUf/3F32aVOFVVZ5ylnIxW7dy4dmxVBg3Fv9hwzA5ypRTQtxMQaarNmF0h26Zj7JmjD/+BaWAycC/wEGgbb4rKlUN2AZEAlMwEtbzwB1KqdZa6+RCxCPKOJPJxMOta9BJVeCF7w+y/UQ4aw+E8MfJcN7oewc9GlUifNEnmJOSCHtnNtEbNxE4802ZHluIm8hv0ulcpFH85y8gQGt9VSnVF2OahPyaArgDTbXWFwGUUrsxJp4bAnxu5VhFGZL+rGfZnvPMWH8so4db7yZVeOXdD3Bd+D6RS5cRv38/p/v2o+KE8ZQbMkSmxxYiG7sd8DNT0snX7TWlVCjwq9b64WzLNXBaa13gaRZkwE+Rk4uR8RmtHoAALxdeD25Mx+jThEydSkqI8W60e1ALqsyYgUvNmrYMV4hil9uAnwW5vWa3lFJVgYoYz5yy2w3kOEuXUioyj0373lpkojRKb/V8m6nV89TXxhhuryxdQer8d4lcvpz4vX9x9tEh1N20UUYyEMKiUElHKfUw8DTGyAPlcyhi1loXZ0JLHzArp+F3LgEVlVKOWuvUYoxJlGLp7/V0vK0CL678bwy3nSev8trA0XS65x4uv/wyFZ59RhKOEJkUODEopaYCrwKhwB+APbwh5275TMxhXUKmMjGZV+TU9MvM0hKS1o64qSp+xhhumUeufuabffRsVJlXl63Et5JfRtnU69e5/vPP+A0YIM96RJlVmNbIGOA3oKcd9QhLH3Ynp6+UbtnKCGFV6SNXd6hfgSmrDrH5eBg/H7nMrtNXmd67EcFNq2AymQh9cyZRq1dzff2PBM54A5dq1WwduhDFrjBft3yA7+wo4cB/t9UCc1gXCITJrTVR1Cr7GvP1zB3UBF93ZyLjknnu2/08sWQvl6/FguVl0rg//+RUn2AivvkGc1qajaMWongVJunsA6pbO5BbYekifQXjhdLsWgH7izUgUWaZTCb6N6/GxvEd6X57JQA2HQuj+3u/s+OBp6j64UKcKlbEHBdH6Guvc274CJIuXLBx1EIUn8IknanAaKWUzWa1UkrVVUrVzbb4e6CPpSdbermuwG3A8uKMT4iKPm58PKQF7z/UjHIezlxPSGHSioOMPeOJ29fL8e3bF8jW6rHT1xeEsKZCvaejlArGGA5nF3AGyH7ryqy1HlmYgCwdFQAaAg9jvNR5GojUWs+3lDkDoLWulaledYxWWATwAcaIBJOAc0ArrXWBx6KX93SENYTHJPLKmiOsP2TcBfZydWLKvQ25P+4koa9MJyUsDM/27an+yaIs47kJUVJZ9T0dpVRr4EvAGehg+cnODBQq6QCvZ/t9hOXzLDD/ZpW01ucts5fOBd7CGHvtB2BCYRKOENYS4OXKgkeac/+hS0xbc5jwmCSmrDrEujrleXPJd3gt/pCA0aOyJByz2SwJSJRKBW7pKKV2AXUwksp2rXVkEcRlF6SlI6ztWmwSr/9wlJX7LgLg7uzIpB6KoW1r4ehgJJno334j4rPPjR5uNWrYMlwhCiW3lk5hnuncCczWWq8rzQlHiKJQztOFuQ825fNhQVT2cSM+OZXXfjjKoI938m9YDGkJCVx+ZTpxe/ZwKrgvEUuWSA83UaoUJumEYdy6EkIUUpcGlfhlQkceamV0BP3r7DXufX87H+68QMCrr+JUuTLm+HhC35zJ2SGPkXTmjG0DFsJKCpN0PgceVUqVinHbhLAVHzdnZva/k68fb011f3eSUtJ4Z4Pm0YMOJHzyDX4DBwAQ/9dfnAruy9XPF2NOldfNRMlWmGc6XTAe1DsACzF6lt1wJWitt1kjQFuSZzqiuMQlpfDOBs0Xf5zBbAYnBxOjO9VluNsVIl59OWPkas8OHai+6GPpZCDsmrVHmd6U6b8/xeiplpnJskymTxQinzxcnHildyPuvzOQ/604yMkrsczf8i8/VfBk5oL/o/q3nxC57Ft8enSXhCNKtMIkneFWj0IIAUCLmv6sH9uBDzaf4KOtpzh5JZYHl+xn6F0DeSb4AXybNs4omxoVRfLlUNzUbTaMWIiCKXDS0Vp/WRSBCCEMbs6OTOrRgF6NA5n8/UGOhFzniz/OsNHPnZme4XS8rQIAoTPfImr9egJGjSLgyScwubjYOHIh8ibjqwthpxpX9WX10+2Y3LMBLk4OXIyM57HPd/P88gNcvXKN+P37ITmZ8PnzOT1gIPGHj9g6ZCHylGfSsYxfVihKqW6FrSuEAGdHB566uy4/jetAq1r+AKz46wI9Pv6LYzM+otzwEeDgQOI//3DmwQcJmzOHtISEPLYqhO3kp6Xzs1Jqs1LqfqVUnp0DlFLOSql+SqmtwI+3HqIQom4FL5Y92YbX+zbG08WR8JhEnll+mGmBnXH//P9wrV8PUlO5+smnnO7bj7i//7Z1yELkKD/PdJphjGe2FriilNoE7AZOYgyuaQL8MaaubgN0BfyAX4CmVo9YiDLKwcHEkDY16dKgIlNXHWKLvsLGo6HsOunECy++R7c9PxDxyScknTnD1UWf4PHRh7YOWYgb5Ps9HaXUXRizhgZjjOCcU1fp68BK4EOt9R4rxmkT8p6OsFdms5m1B0J4dZ0xRTZA69r+TG/qicfCuVR5aybOgTnNaShE0cvtPZ3CvBzqCLQAbgcqYCSfK8BhYJ/WutQMFCVJR9i7CMsAoqssA4i6ODkwrmt9nuxYB2dH4+559OYtRG/aRKXJ/8PR19eW4YoywqpJpyyRpCNKit90GC+tOszFyHgAGlT25q0H7uQOP0dO3Xc/KWFhOFYIoPLLL+Nzzz02jlaUdtYeZVoIYWfuVhX5ZXxHRrSrjckExy9H03/hDmb8dg73kU9i8vAg9Uo4F58dy4Vxz5Fy5YqtQxZllCQdIUoJT1cnXu59O6vGtKNBZW/SzPD5jjM8eCmQCx98hWf79gBEb9jAyft7E7lylUyRLYqdJB0hSpmm1f1Y92x7JvVQGS+VPr7uFHO6jsH1tZk4+PqSFhXFpSlTCJk40dbhijJGko4QpZCzowNPd67Hz+M60KaO8VLpmgMh9Dvmwb63FuPVsycAnu3a2TJMUQYVOOkopRoURSBCCOurU8GLpU+04e0H7sTX3Zmo+GRe2HCKSbcPwrzwc3z7988om3LtGgn//GPDaEVZUJiWzkGl1ByllI/VoxFCWJ3JZGJQy+psmtCJPk2qALDrVAR9N0cyf/O/JKUYbzmEvTWL0w8M4Mr7H5CWJJMDi6JRmKTzEfAscEIp9biV4xFCFJEK3q68/1AzFg9vSVU/Y6bSORv/4b73t/Pn0Yv/DSC6cCGn+/WXoXREkShw0tFaj8UYGucQsEgptVcpJTeGhSghOlu6Vz/evjYOJjgRFsODS/bz6eMzcX58NDg6knTyJGcffoRLr75KanS0rUMWpUihOhJorY9orbsBDwDlgG1KqW+UUtWsGp0Qokh4ujox9f7bWftMe+6oaoxSsPSvEAYn3M6Rtxfj2qgRAJFLl3HqvvuJ/vVXW4YrSpFb6r2mtV4FNASmAb2B40qpqUopV2sEJ4QoWulz9rzS+3bL6NVJPL89jOn3Pk/S+BcxubmREhZG5PIV8k6PsAqrDYOjlKoC/B9wN3AWWATswxiPLcwqOylmMgyOKEtCIuOZvvYIvxwNBcDVyYExLSrSZ/OXVJvyYpYBRM1mMyaTyVahCjtn9bHXlFL1gCZAg0w/CmP06czSN35Za121wDuyMUk6oizacOQy09ce4VKUMRlc/YpezOh3B61qG+/7RG/axNXPFxP42qu41qtny1CFncot6eRnPp0slFLvAc9gTGUAxgjT/wDfATrTTzLGfDrNkHl1hCgxejSqTLt6Aczb+A+Ld5zmRFgMgz7eycAW1ZjctQ7XXn+DlNBQTvXrT8ATT1B+9CgcXFxsHbYoIQoztUEM8CfGc5yjWuvIIojLLkhLR5R1hy9G8dLqwxw4HwlAOQ9nJtR3ovXnb5F6/jwALrVrE/jaq3i0bGnDSIU9sfYo0+8AU7XWf5TmhCOEMDoarHyqLa8HN8Lb1YlrcclMOxDPlH4vEzl8jNG9+vRpzg55jJCpU0mNjLR1yMLOyXw6uZCWjhD/CbuewOvrj7HuQAgATg4mht7uywPrFmI6YLxI6lK3LnXWrcXkIMM6lmUyn44Q4pZV9HHjg4ea8X8jW1E7wJOUNDOfHY7k8aYjODr2VUyenpQfOVISjsiV/OsQQhRIh/oV+GlcBybccxsuTg6ERCUw8Zwns0a9R1Sn7hnlUiIiuPrZZ5hlHDeRiSQdIUSBuTk7MrZrfTaO70in2yoAsOVUJN3nbeO9TSdISE4lbNbbhL0zm1P9+xMnt6iFhV0907GMZPAaMARjeJ0DwEta61zH4FBKTQdeyWFVqNa68i3EI890hMiD2Wzmp8OXef2Hoxnv9tQq78FzicdQSxdCaioAvg/0p+Lzz+NUrpwtwxXFoCQ90/kCGA98BYwD0oCflFJ35bP+KIyElf7zdBHEKITIxGQyce8dgWya0IlRnerg5GDizNU4noupydynPyCqmXH5Rn2/klO97pVpsss4u2npKKVaYbz/M15r/a5lmRtwGAjRWnfMpe50jJZOOWt245aWjhAFdyI0mmlrDrPrVAQA7s6OjPSPocc3s3GKjgLAIyiI6h9/hIOnpy1DFUWkpLR0BmCMYvBp+gKtdQLwGdBeKRV4s4qZmJRSPkopGRRKCBupX8mbpU+04b3BTang7Up8cirzQ9159oE3OHrfowA4+PhIwimj7CnpNAOOa61jsi3fjTHkTtN8bOMcEAVEKaU+V0r5WzdEIUR+mEwmgptWZfPETjzevjaODibORCYy0bkp74x6j5RnJ2aUNZvNxO3bZ8NoRXEq8NhrRSgQuJjD8kuWzyq51L0GfADsApKALhjPd5orpVprrRNzqqSUiswjJt881gshcuHt5szU+29nUMvqvGy55bY5NJkdX2vG3J3KqE51SPptMxefHYtXly5UfmkKzlVL3NjAogDsKem4Azklh4RM63OktX4v26IVSqnDwALgMeATq0QohCiU2yy33NYdvMSM9UcJvZ7IvE3/sPyv8zx97QBNgJjNmzn5xx8EPPUU5YcPwySDiJZK9pR04oGcJn9zy7S+ID7CGCeuKzdJOjk95MrM0hKS1o4QVmAymejTpApdG1Tk/c0n+Pz301y4Fs+LNOSuYbMZuflTqp47zpV584havZrKr7yMZ5s2tg5bWJk9PdO5hHGLLbv0ZSEF2ZjWOg3jdp081xHCjni6OvFir4ZseK4jdyvjxdKdkTA66An+b9BkYl09STp9mnPDhnNxwkRSrl61bcDCquwp6ewHGiilsk8E19ryeaAgG1NKOQPVMeb7EULYmToVvFg8rCWfDQ2iZnkPUtLMfJNUgVH93mBLhwGkYSL2jz9AxnIrVezpbK4AnIHH0xdYRigYDuzQWodYltVQSjXIXFEpy9elrCZh3JrbUGQRCyFuiclkomvDSmx4riOTeijcnR25mpDK2+XbMOmRWYQ8+1KWEQxSwsNtGK2wBrt5pqO1/lMptRx42/JOzklgKFATGJap6BKgE//NXApwVim1DONF0kSgM/AA8DvwTdFHL4S4FW7OjjzduR79m1dl1k/HWb0/hKOxDgw7BH2W7uOFXg2omBbPyfvux6tdWyr+7384Vy70CFfChuwm6Vg8Brxu+SwHHATu1VrvyKPe10A7YCDgApyxbGem1jqlyKIVQlhVoK877w5uxpC7avLquqMcvBDF2gMh/HL0MkM9I+kZE0fajz8R/dtWAp4aTfmhQ6WXWwljN8Pg2CMZBkcI20lLM7Ny30Vm/XycK9HG2xSVXMwMO7iOjse344AZl1q1qDTlRbw63nSULGEDJWUYHCGEyODgYGJAi2psef5uRneqi4ujA6FJJmY16MP/HpjOsfK1STpzhvNPjuL8U2NIOn/e1iGLfJCkI4Swa16uTrzQqwGbJnTi3juM5zhHUj2Z0OFpZvcYS5i7HzFbtpB48qSNIxX5IUlHCFEi1CjvwcJHWvDtk21oXNUHgF/da/Bkr6ks6z8e2rTLKJsaHS3TJ9gpSTpCiBKldZ3yrH26PbMHNqGityuJafBlWlU6z/6Nr3adJSU1jYvPP8/Zhx8h/tBhW4crspGkI4QocTI/7xnXtT7uzo6ExyQxdfVhery9iS3HrxC3bx9nBg0i5MUpJIeF2TpkYSFJRwhRYnm6OjH+ntv4bdLdDAqqhskEJ6OSeeWukbx0z3j+9alC1KpVnOrZi/CPF5GWmOOA86IYSdIRQpR4lXzceHtAE34c24EO9QMA2OdZlWc7j+ftu4YRghtX5s3j1L33cf1nGaTEliTpCCFKjYaBPiwZ0YrFw1uiKnkDsKVSY57s/gKL7gzmatg1YnfutHGUZZu9jUgghBC3xGQy0VlVpGP9Cqz8+wJzN/7DpagEVtXpwMbabRjdug6PJ6fi5uyIOSWFlCtXcA7MaYB7URSkpSOEKJUcHUwMDKrOlufvZnLPBni7ORFjcmb2tvN0emcLS3efI3z5Ck727EXYnLmkRkfbOuQyQZKOEKJUc3N25Km767JtUmdGtq9tjGxwPZEXVx6i355UtpVXXPnkU05270HE119jTk62dcilmiQdIUSZUM7ThWn3387m5zsxoEU1HExwwcWPN1s9xrgu49ntVIHLr7/Bqft7c/2XX+Tl0iIiSUcIUaZUK+fB7IFN+Pm5jnS/vRIA//pUYWq7J5nc/in2RZu4OHYcZx96mORLl2wcbekjSUcIUSbdVsmbRY8FsXJMW1rXNma1PxRQl+c7PsO0ux7nSKwDjuXL2zjK0keSjhCiTGteoxzLnmzDkhGtaFLdD4C9lRrwdKOHeerbgxy/fB2AqB/Wk3zxog0jLR2ky7QQoswzmUx0vK0CHeoH8OuxMOZs/Idjl66z4UgovxwNpVc9P/p8Oo9aMWH4PTSYgFGjcJJWUKHIJG65kEnchCib0tLM/HT4MnM3ak5eiQXAZDbT8eJ+HtKbqJUajf+QIZQfMRxHX18bR2t/cpvETZJOLiTpCFG2paaZWbP/Ih9s/pfT4Tcmn9qmeMoPH0a5IY/h6OVp42jtR25JR26vCSHETTg6mOjfvBp9mlRh7YGQjOSztVoztlVtQoeLBxi8eDl36n+o9u48W4dbIkjSEUKIPDg5OuSYfLZVa8a2as3oUtWNsecjaVrdD7PZjDkhAQd3d1uHbZek95oQQuRTevLZOL4jcwc1oW4F45ba5osJ9F2wgyGf/cm2H7bzb9duhC/6hNSYWBtHbH/kmU4u5JmOECI3aWlmfj5ymfmb/+XopesZy2+/epqBJ7bQJv4iAY8Nwf/RR8tUhwPpSFBIknSEEPlhNpvZosOYv/lf/j4XmbG8xvXLDPj3N7pc1VQYPBD/oUNxrljRdoEWk9ySjtxeE0KIW2QymejSoBLfP9WWb55oTcfbKgBwzqcyc5sPZmj7cXyy9SSHut9L9K+/2jha25KOBEIIYSUmk4m2dQNoWzeAoyHX+XjbSX44EMJVdz8+bdybpaobg6+VY/i1OKqV88CcmgoODphMJluHXmzk9lou5PaaEOJWnY+I47PfT7Ns9zkSUtIAcDBBz8aVGXDtCLW2raf80Mfw6d4dk7OzjaO1DnmmU0iSdIQQ1nItNolvdp9jyc4zhF5PzFiuIs4RfGo7dydfosKDAyk3aBBOAQE2jPTWSdIpJEk6QghrS0pJ48dDl/js91Mcuvhfjze/hGh6nv2TXhf2Uq9ja8oNfhD3oKASeetNkk4hSdIRQhQVs9nM3rPX+Gz7aTYevUyq5U+xgzmN1pePcv+pHfSe+T982re3baCFIMPgCCGEnTGZTLSs5U/LWv5ciopn6Z/n+ObPc4THJrEzsDE7Axvzyc5kBqX8ywPNq+Fz/iTJ5y/g1fluHFxdbR1+oUlLJxfS0hFCFKeklDR+OXqZJTvPsvt0RMZyRwcTbVLD6bJ7LW1iL1CuW1d8evbAs00bTC4uNow4Z3J7rZAk6QghbEVfjubbPedZte8C1+KSM5b7JUTT5fxfdL7wN/XTovG++268OnXCq307HP38bBdwJpJ0CkmSjhDC1hJTUvn1WBjf7jnPtn+ukPkvdrXoMO6+sI9OF/bR/OkRlB8xPGNdakwMjl5exR8wJSjpKKVcgdeAIUA54ADwktY6z1d4lVJVgXlAd4yRFjYD47XWp28hHkk6Qgi7ERIZz/d/XWDVvoucCs86mGijAFeCW9WmR6PKVEmI5N+u3XCuXh23Bg1wrV8f56pVcK5SBcfy5XFwc8O5WjVMDkUzKE1JSjpLgQeAd4F/gWFAENBJa70zl3pewN+ANzAXSAHGA2agqdb6WiHjkaQjhLA7ZrOZIyHXWXsghHUHQrgUlZBlfR13M0EHNtP68lFUxDkcufHvvNr3d5FNv1Aieq8ppVoBgzFaJ+9ali0BDgOzgI65VB8D1ANaaK33Wer+ZKk7Hni56CIXQojiZTKZaFzVl8ZVfXmhZwP2nIlg7YEQNhy5THhMEqfiTZy6rSvf3dYVP5JoE3OeJpc1DU/vp1Ks0UHBZKMecHbT0lFKvQ08B/hrrWMyLX8RmAFU1Vpfuknd3UCK1rpttuUbgJpa6waFjElaOkKIEiMtzcz+C5H8eiyUTUfD0KHRN5Sp4uNCy0BP2jSqRsta/tTwciT+10349u5ttThKREsHaAYcz5xwLHYDJqApcEPSUUo5AHcCi3LY5m7gHqWUh9Y6zrrhCiGEfXFwMNG8Rjma1yjHpB4NOB8Rx6Zjofymr/DX2WvEJKYQcj2JNdeTWGN56uBoTqNS7FVqHlpL3dtrU9Pfk5rlPbhbVcTFyfrPfOwp6QQCF3NYnp5oqtyknj/gSg4JybLMZNn2yewrlVKRecRUdmZdEkKUOtX9PRjerjbD29UmNc3MsUvX2X06wvg5E0FEbBKpJgdCvCoQch127jqXUbd/s6rMfbCp1WOyp6TjDiTmsDwh0/qb1aOQdYUQokxwdPjvOdCI9rUxm82cvRrHqQvhnDp2hsveFTgbEce5q3GExyTSuGrRfOe2p6QTj9Fiyc4t0/qb1aMwdXO635iZpSUkrR0hRKljMpmoFeBJrQBPujStWWz7taeZQy9h3AbLLn1ZyE3qRWC0cm5W10zOt96EEEIUM3tKOvuBBpZ3bjJrbfk8kFMlrXUacAjjfZ7sWgMnpBOBEELYB3tKOisAZ+Dx9AWWEQqGAzu01iGWZTWUUtm7QK8A2iilmmWqq4AuwPKiDlwIIUT+2M0zHa31n0qp5cDbSqn03mZDgZoYIxOkWwJ0wuiVlm4h8ATwo1JqDsaIBBMwbqvNK/rohRBC5Ic9tXQAHgPes3y+j9HyuVdrvSO3SlrraOBu4HdgGvA6xu26Tlrrq0UYrxBCiAKwmxEJ7JGMSCCEEAVXUkYksEc+0dHRBAXl1EdBCCFETqKjowF8clonSSd3aYBDdHT09XyUTX+fJ6oI47EHcpylS1k4zrJwjGBfx+mD8ffzBnJ7zUrSh9TJ64XTkk6Os3QpC8dZFo4RSs5x2ltHAiGEEKWYJB0hhBDFRpKOEEKIYiNJRwghRLGRpCOEEKLYSNIRQghRbCTpCCGEKDbyno4QQohiIy0dIYQQxUaSjhBCiGIjSUcIIUSxkaQjhBCi2Mgo0xZKqZYYM5R2xpit9CrwBzBVa/1vtrJtgbeB5sB14FvgRa11XD73NRJ4HqgNnAPe01ovsM6R5LnvPI9TKeWBMU14X6Ax4AWcABYBn2itU/Oxn5v1UHlKa/3RrR1F3vJ7PpVSv2HMRJvdt1rrwfncl72fz1rA6Vw286nW+ok89mOz86mUCgJewrjeKmKMorwfeE1r/Ue2siX52szzOEvDtSlJ5z+TgXbAcuAgUBl4BtinlGqltT4GoJRqCvwKHMGYErsaxj/SOkDvvHailBoFfGTZz1ygAzBfKeWmtZ5j5WPKSX6Osw7wAcZxzsW4eHsAHwItgZH53NcG4Ktsy/681QPIp3ydT4tzGBd7Zmfys5MScj6vAENyqNsTeAT4JZ/7stX5rIvxt+oTjCno/TDi3qaU6qW13gil4trMz3GW+GtTukxbWL4h7dVaJ2VaVh84BCzTWg+zLPsRuBNooLWOsSx7HOMfSlet9eZc9uEOnAd+11r3zbT8K6APUF1rXaRzYeTnOJVSAUAlrfWRbHU/x/iWVUdrnds35/RvU+9prZ+z9jHkRwHO52+An9a6aSH2USLOZy51N2H8oaqktU7IYz82PZ/ZWb7xn8I49vsty0r0tXmTuLIcZ2m4NuWZjoXW+o/MF65l2QmMb00NAZRSPsA9wJL0f9QWS4AYYFAeu+kMlAcWZlu+APAGehX6APIpP8eptQ7P/o/aYpXls0F+96eUcldKuRU23sLKz3FmppRyUkp5FXA3JeJ85kQpFYgR/8q8Ek62ejY5n9lZbpddwWgNlIprMyfZj7M0XJuSdHKhlDIBlYBwy6I7MJq/ezOXs1z0+4FmeWwyff3ebMv/wphlL6/6RSKH47yZypbPvMqlexyIBeKVUgeVUv0KGaJV5HKcDTHijFZKhSilpiil8nNtlOTzORjj+v+6AJu26flUSnkrpQKU4U2MZxq/WlaXmmszj+O8mRJzbUrSyd0jQFXgO8vvgZbPSzmUvQRUyWN7gUCi1joi80LLhXE1H/WLSvbjvIFSygV4DjiJcSHm5Q9gChAMPA24AiuVUg/darC3IKfjPAnMwPgjPAzjucgMbvzGm5MSez4tZS4BN73llI09nM/FGN/6jwMTMZ6/vGlZV5quzdyO8wYl7dqUjgQ3oZRqgNG0/h34P8tid8tnYg5VEjKtvxl3IOkm6/JT3+pucpw5mY/RIuiltc5x7vPMtNbtsu3nS+Aw8LZSapnWulgfJt7sOLXW2R+8fqmU+g54Uik1T2utc9lsiTyfSqnbgBbAvPycS7Cb8/kq8DFGB4EhGH8snTGux9J0beZ2nDkpUdemtHRyoJSqDKwHrgEDM53IeMunaw7V3DKtv5n4m9TNb32ryuU4s5ebBDwBTNFabyjMvrTWsRjf2KoBqnARF05+jzOTOYAJ4z5/bkrk+cRo5UDBbq1lYYvzqbU+pLXeqLVejNFjqwXwhWV1qbk28zjOLEritSlJJxullC/wE+AL9NBaX860Or3pHnhDRWNZSB6bvwS4KKX8s+3TBeMhZl71rSaP48xcbhgwC1igtX7rFnd73vLpn2spK8rvcWaT3zhL3Pm0eBjQWuv83IrJTbGfz3Ra62RgDdDf0vOs1FybmeVwnJljG0YJvDYl6WRi6cmxDrgNuD+HWyuHgRQgKFs9F6ApxgPL3KSvD8q2PAjjXORV3yrycZzp5YKBT4HvgbFW2HUdy+cVK2wrT/k9zhzkN879ls8ScT4tZVsD9biFVk4mxXo+c+CO0SL1ppRcmzeR+TiBkn1tStKxUEo5Yry9fBfGrYld2ctY+ulvAoZk6147BOPN4OWZtuehlGpg6VefbjMQAYzJtumnMLp1/mSNY8lNfo7TUq4jsAzYBjyay623G44z2zGnLyuPcdynLV16i1R+jlMp5aOUcs2h3hSMHkubMi0v0eczk4ctn9/cZHt2dz6VUhVyWOYDDATOa63DSsm1medxWpaV6GtTOhL8Zw7GS2DrAH+l1KOZ1sVorVdb/vsljN4fvymlPsW4DzoR+ElrvSlTnVbAFoyHgtMBtNbxSqlpwALLw+pfMN56fhSYrLWOLJpDyyLP41RK1QTWAmZgBTBQqSy3ev/QWp+y/PcNxwk8Y/km9gPG2/5VgScxhvboWwTHlJP8nM/mwDdKqaXAvxh/nAZhfLudle0luxJ7PtN/sSSoB4FdWuuTN9mePZ7Pb5VSCRjX3WWgOsaLkNUweh2mK+nXZp7HWRquTUk6/2lq+ezNjUNmnAVWA2it/1ZKdcO4lzoPYxiKT4AX87MTrfVCpVQyxsUQjHEvdZzW+v1bjD+/mlo+czvO2hjPBsDoCZXdcIy3pG/mD4yhWZ7AuEccA+wE3tRa7yhM0IXQ1PKZ23GeBXYAD2C815KGcZtmmNb6y/zspIScz3TdMI5zRgH3Yevz+RXwGMZtpHJAJLALGKK13ppeqBRcm/k5zhJ/bcowOEIIIYqNPNMRQghRbCTpCCGEKDaSdIQQQhQbSTpCCCGKjSQdIYQQxUaSjhBCiGIjSUcIIUSxkaQjhBCi2EjSEUIIUWwk6QhRAimlGiulUpRS99zCNoKVUklKqfrWjE2I3MgwOEIUE8vox1Hk/8te+ezTJ2fa1i+Aq9a6U6Zld2MM8DhJaz07W/lOGANFxmHMt3PQsvwv4KzWun8BD0eIQpEBP4UoPk7A0GzLngLaAs8DoZmWJ+aScO4C7iGfowIrpe7HGNr/MtAt2wjT72FM0d1Ia30kP9sT4lZI0hGimFiGx/8q8zKl1HggAXhPa52Sz02NAcKBH/MqqJR6GPgS0EB3rXX2GTBXAh8Co4Fn87l/IQpNnukIYSNKKWegMXAwvwlHKeWE0cLZZJnKOLeyT2Ekub+BjjkkHLTWMcB2YEDBoheicCTpCGE7jQAXYF8B6rTAmGxud26FlFIvAgsxnvF0vdmtOoudQGWlVIMCxCFEocjtNSFsp5nl8+8C1Lnd8nmzmT/BeE5UB2MCt8Fa68Q8tpm+rUbA8QLEIkSBSUtHCNtpbvksSEunguUzt5ZLoOXzZD4SDsBVy2fFAsQhRKFI0hHCdpoBKcChAtRJf8fBlEuZt4DNwESl1Jx8bDN9W/L+hChyknSEsAGllAPQBDimtU4oQNUrlk//XMrEAfcDvwITlFLz8thm+rau5FpKCCuQpCOEbdTH6BBQkOc5AIcz1b8prXU80BvYBDynlHo3l+L1sm1biCIjSUcI2yjM85z08teBNnkVtCSePsBGYJxS6r2bFG0DhGqtdQFjEaLAJOkIYRuF6bmG1joV44XOrkop13yUT088vwBjlVIfZF5vGZqnA8aIBUIUOUk6QthGM4wH9wcKUfdDwA/juU2eLM+MgoENwDNKqQVKqfTOAw8AHsDHhYhDiAKTAT+FKIGUUj8DnlrrDre4nb+BMzLgpygu0tIRomSaCNyllOpe2A0opfpiDMMz2VpBCZEXaekIIYQoNtLSEUIIUWwk6QghhCg2knSEEEIUG0k6Qgghio0kHSGEEMVGko4QQohiI0lHCCFEsZGkI4QQotj8P/dzmCzmD7i2AAAAAElFTkSuQmCC", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "fig, ax = plt.subplots(1, 1)\n", - "ax.plot(tr * Tc, s_corr, color='tab:red', label=corr_label, ls=\"--\")\n", - "ax.plot(dia.liquid.temperature/si.KELVIN, surf_tens, color='tab:blue', label='DFT')\n", - "xlim = fluid_param[substance][\"xlim\"]\n", - "ylim = fluid_param[substance][\"ylim\"]\n", - "ax.set_xlim(xlim)\n", - "ax.set_ylim(ylim)\n", - "ax.set_xlabel(r'$T$ (K)')\n", - "ax.set_ylabel(r'$\\gamma$ (mN/m)')\n", - "legend = ax.legend(loc='best', frameon=False, fontsize=12, ncol=1)" - ] - }, - { - "cell_type": "markdown", - "id": "4a3385ce-d12a-4402-b139-10d852df2e2f", - "metadata": {}, - "source": [ - "# Calculate mean absolute deviation (MAD)" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "id": "dc17b6c6-47e5-414e-a432-cec8d01b493a", - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "MAD=4.4 %\n" - ] - } - ], - "source": [ - "tr_mad = dia.liquid.temperature / Tc / si.KELVIN\n", - "tr_filer_mad = np.less_equal(tr_mad, 0.95)\n", - "trx_mad = tr_mad[tr_filer_mad]\n", - "if fluid_param[substance][\"param\"] is None:\n", - " s_corr_mad = surftens_mulero2012(substance, trx_mad)\n", - "else:\n", - " print(\"Correlation\")\n", - " s_corr_mad = surftens(fluid_param[substance][\"param\"], trx_mad)\n", - "mad = 100*np.sum(np.abs((surf_tens[tr_filer_mad]-s_corr_mad)/s_corr_mad))/s_corr_mad.shape[0]\n", - "print(f\"MAD={mad:.1f} %\")" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/examples/saftvrqmie/radial_distribution_function.ipynb b/examples/saftvrqmie/radial_distribution_function.ipynb deleted file mode 100644 index d5c2bc9fb..000000000 --- a/examples/saftvrqmie/radial_distribution_function.ipynb +++ /dev/null @@ -1,627 +0,0 @@ -{ - "cells": [ - { - "cell_type": "code", - "execution_count": 1, - "id": "66146e02-48f2-4b2d-b2e3-50bda5cf345f", - "metadata": {}, - "outputs": [], - "source": [ - "from feos import *\n", - "from feos.dft import *\n", - "from feos.saftvrqmie import *\n", - "\n", - "import si_units as si\n", - "import matplotlib.pyplot as plt\n", - "import numpy as np\n", - "import pandas as pd\n", - "import seaborn as sns\n", - "\n", - "sns.set_palette(\"Paired\")\n", - "colors = sns.color_palette(\"Dark2\", 3)\n", - "sns.set_context(\"talk\")\n", - "sns.set_style(\"ticks\")" - ] - }, - { - "cell_type": "markdown", - "id": "88ead60a-eb91-4d29-8f0a-00aaef3a2e71", - "metadata": {}, - "source": [ - "# Radial distribution function: comparison between Molecular Dynamics and DFT\n", - "\n", - "In this notebook, we compare the radial distribution function (rdf) as obtained from Molecular Dynamics (MD) simulations using LAMMPS and classical DFT.\n", - "The steps needed are:\n", - "\n", - "1. Read parameters of the SAFT-VRQ Mie equation of state from files, including binary parameters $k_{ij}$ and $l_ {ij}$.\n", - "2. Once the parameters are defined, we can initialize the functional.\n", - "3. We calculate the phase diagram of the mixture. We then select thermodynamic conditions for the simulation in the stable liquid phase.\n", - "4. Generate the LAMMPS tables for energies and forces for all interaction pairs. Run the simulation (not done here; we provide the simulation output).\n", - "5. Read in LAMMPS simulation results. Calculate the rdf using 1D DFT in spherical coordinates.\n", - "6. Plot the results." - ] - }, - { - "cell_type": "markdown", - "id": "31f54a8d-9128-42bf-8ffe-ecfbaec5d370", - "metadata": { - "tags": [] - }, - "source": [ - "## Example system: Deuterium-Neon\n", - "\n", - "In this example, we will take a look at the binary system consisting of deuterium and neon.\n", - "When you run this example, make sure to adjust the relative path to the parameter files.\n", - "Parameters are published in the [FeO$_\\mathrm{s}$ github repository](https://github.com/feos-org/feos) in the `parameters` directory.\n", - "\n", - "As part of the SI you will find LAMMPS input files for all binary systems that we presented in the main article.\n", - "The procedure to calculate the rdf's is the same as presented in this document." - ] - }, - { - "cell_type": "markdown", - "id": "acefbecf-e020-44cf-bcc9-401773638ef2", - "metadata": {}, - "source": [ - "### Read in parameters\n", - "\n", - "We can read parameter from a *json* file using the `SaftVRQMieParameters.from_json` method.\n", - "By default, a list of *names* to define a mixture of substances has to be provided.\n", - "We also have to provide a file with the SAFT-VRQ Mie parameters and optionally another file with binary interaction parameters.\n", - "If we wanted to use other identifiers instead of the name (CAS, SMILES, ...), we could change the `IdentifierOption` to the appropriate data type." - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "id": "0f0a312b-5b2b-40ad-a2b4-f5edd9d30b70", - "metadata": {}, - "outputs": [ - { - "data": { - "text/markdown": [ - "|component|molarweight|$\\sigma$|$\\varepsilon$|$\\lambda_r$|$\\lambda_a$|fh|\n", - "|-|-|-|-|-|-|-|\n", - "|deuterium|4.028209954364|3.0087|39.2388|11|7|1|\n", - "|neon|20.17969806457545|2.7778|37.501|13|6|1|" - ], - "text/plain": [ - "SaftVRQMieParameters(\n", - "\tmolarweight=[4.028209954364, 20.17969806457545]\n", - "\tm=[1, 1]\n", - "\tsigma=[3.0087, 2.7778]\n", - "\tepsilon_k=[39.2388, 37.501]\n", - "\tlr=[11, 13]\n", - "\tla=[7, 6]\n", - "\tk_ij=\n", - "[[0, 0.13],\n", - " [0.13, 0]]\n", - ")" - ] - }, - "execution_count": 2, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "parameters = SaftVRQMieParameters.from_json(\n", - " [\"deuterium\", \"neon\"], \n", - " \"../../parameters/saftvrqmie/hammer2023.json\",\n", - " \"../../parameters/saftvrqmie/aasen2020_binary.json\",\n", - " identifier_option=IdentifierOption.Name\n", - ")\n", - "parameters" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "id": "7a677dd4-9271-4b12-bbb8-fe3f3825f2c3", - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "(array([[0. , 0.13],\n", - " [0.13, 0. ]]),\n", - " array([[0., 0.],\n", - " [0., 0.]]))" - ] - }, - "execution_count": 3, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "parameters.k_ij, parameters.l_ij" - ] - }, - { - "cell_type": "markdown", - "id": "81301dbd-b4e7-4db1-80b9-14ee24af7573", - "metadata": {}, - "source": [ - "### Define the functional\n", - "\n", - "Once the parameters are set, we can define the functional.\n", - "This is done by the `HelmholtzEnergyFunctional.saftvrqmie` method.\n", - "We will use most of the default options in this example; note however that we can include or ignore the non-additive correction to the hard-sphere reference.\n", - "To calculate the phase diagram, we will **include the correction term**. \n", - "Later we will use both cases and compare the effect on the rdf." - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "id": "1ad06f2f-3190-4d10-897b-8f1b359602b6", - "metadata": {}, - "outputs": [], - "source": [ - "functional = HelmholtzEnergyFunctional.saftvrqmie(parameters, inc_nonadd_term=True)" - ] - }, - { - "cell_type": "markdown", - "id": "5f1c838c-1dfd-4d1c-a986-7ff6e81ae82c", - "metadata": {}, - "source": [ - "### Phase diagram\n", - "\n", - "First, we generate the phase diagram ($p-x,y$ diagram) from which we then select appropriate thermodynamic conditions for our simulation in the stable liquid phase.\n", - "The phase diagram is constructed using the `PhaseDiagram.binary_vle` method.\n", - "We can either provide a temperature or a pressure as input (FeO$_\\mathrm{s}$ checks the actual unit to decide which diagram to compute), in conjunction with the numper of VLE's to be included.\n", - "Here, we use a constant temperature of $T = 32$K.\n", - "We can access all thermodynamic states of the VLE using the `liquid` and `vapor` fields.\n", - "With that, we can generate a nice plot." - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "9e2b7efd-fb69-4275-b168-df0c4dfbddfd", - "metadata": {}, - "outputs": [], - "source": [ - "temperature = 32 * si.KELVIN\n", - "dia = PhaseDiagram.binary_vle(functional, temperature, npoints=50)" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "id": "1c41dbca-fdd1-478b-bb2a-944ef77b801c", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(12, 7))\n", - "plt.title(r\"{} (0), {} (1) at T = {}\".format(\n", - " parameters.pure_records[0].identifier.name,\n", - " parameters.pure_records[1].identifier.name,\n", - " temperature))\n", - "\n", - "plt.plot(dia.liquid.molefracs[:, 0], dia.liquid.pressure / si.BAR, label=\"liquid\")\n", - "plt.plot(dia.vapor.molefracs[:, 0], dia.vapor.pressure / si.BAR, label=\"vapor\")\n", - "plt.xlim(0, 1.0)\n", - "plt.ylim(3, 9)\n", - "plt.xlabel(r\"$x_0$\")\n", - "plt.ylabel(r\"$p$ / bar\")\n", - "plt.legend(frameon=False);" - ] - }, - { - "cell_type": "markdown", - "id": "565cc63a-2c10-495b-996a-ac012b6b2ae9", - "metadata": {}, - "source": [ - "We can now specify the thermodynamic condition for our simulation.\n", - "Here, we use a pressure of $p = 8$ bar with a molefraction for deuterium of $x_0 = 0.2$.\n", - "Note that the order of the indices is the order in which we defined our substances when we read our parameters from files.\n", - "\n", - "In LAMMPS, we conduct a NVT simulation, i.e. at constant temperature ($T = 32$ K), volume and number of molecules.\n", - "Thus, given temperature, pressure and the composition, we can calculate the mass density.\n", - "We will use the density and composition to later calculate the appropriate volume of our simulation box for a specific number of molecules, here $N=4000$.\n", - "\n", - "The density for given $T, p, \\mathbf{x}$ can be calculated using the `State` constructor.\n", - "The mass density and the temperature will be inputs for our LAMMPS input file." - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "id": "739c6bf6-bbaf-44fb-a75e-a828a35fc5ba", - "metadata": {}, - "outputs": [], - "source": [ - "pressure = 8 * si.BAR\n", - "x0 = 0.2\n", - "molefracs = np.array([x0, 1-x0])" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "id": "97413ca2-802d-48ec-857f-5c6805c74394", - "metadata": {}, - "outputs": [ - { - "data": { - "text/latex": [ - "$812.99\\,\\mathrm{\\frac{kg}{m^{3}}}$" - ], - "text/plain": [ - "812.9908034253755 kg/m³" - ] - }, - "execution_count": 8, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "state = State(functional, temperature, pressure=pressure, molefracs=molefracs)\n", - "state.mass_density()" - ] - }, - { - "cell_type": "markdown", - "id": "8405fa0c-7a8f-4a3a-a2d7-4e34bfbdc6b6", - "metadata": {}, - "source": [ - "### Generate LAMMPS energy and force tables\n", - "\n", - "In FeO$_\\mathrm{s}$ we provide an utility function to directly export LAMMPS `table` files from the parameters via the `lammps_tables` method of the `SaftVRQMieParameters` object.\n", - "This method will create files for all interaction pairs. Here, three files will be generated, one for deuterium-deuterium interactions, one for neon-neon and one for deuterium-neon.\n", - "\n", - "We have to provide the temperature (32 K), the number of points to store in the table (5000), and the minimum and maximum distance (0.1 and 12 Angstrom, respectively)." - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "id": "3b074123-73bc-4fce-94d1-60ae739afaf6", - "metadata": {}, - "outputs": [], - "source": [ - "parameters.lammps_tables(temperature, 5000, 0.1 * si.ANGSTROM, 12.0 * si.ANGSTROM)" - ] - }, - { - "cell_type": "markdown", - "id": "5956e018-19a4-407b-8ef1-6a05af60f3b2", - "metadata": {}, - "source": [ - "We provide an input file for the LAMMPS simulation that you can use or adjust for your system.\n", - "There are several adjustments necessary, depending on the system of interest.\n", - "\n", - "This is how the LAMMPS input file starts (here it is named `in.binary_deuterium_neon`)\n", - "\n", - "```\n", - "units real\n", - "atom_style atomic\n", - "\n", - "# substance\n", - "variable substance1 string deuterium\n", - "variable substance2 string neon\n", - "variable molarweight1 equal 4.028209954364\n", - "variable molarweight2 equal 20.17969806457545\n", - "\n", - "# thermodynamic state\n", - "variable x1 equal 0.2\n", - "variable initial_density equal 812.99 # kg / m3 @ p = 8 bar\n", - "variable t equal 32\n", - "variable natoms equal 4000\n", - "variable n1 equal v_x1*v_natoms\n", - "variable n2 equal v_natoms-v_n1\n", - "\n", - "variable molarweight_mix equal v_x1*v_molarweight1+(1-v_x1)*v_molarweight2\n", - "variable avogadro equal 6.022*10^23\n", - "variable initial_density_mol equal v_initial_density/v_molarweight_mix*v_avogadro*10^(-27) # N / V\n", - "variable unit_cell_volume equal 1/v_initial_density_mol\n", - "variable box_length equal v_unit_cell_volume^(1/3)*v_natoms^(1/3)\n", - "\n", - "variable rc equal 12.0\n", - "\n", - "```\n", - "\n", - "When changing to other substances, the following changes have to be done\n", - "\n", - "- Adjust the name of the `substance1` and `substance2` variables. The order has to match the order of the parameters for the functional (this will be the filename we generate with `lammps_table`)\n", - "- Adjust the molar weights accordingly. Those will be used to calculate the number density from which the volume of the simulation box is calculated.\n", - "- Adjust the mole fraction `x1`. Note that in this input we start indexing at `1`.\n", - "- Adjust the density (`initial_density`) and temperature variables.\n", - "- Adjust the cut-off radius `rc` above which the potential energies and forces are set to zero. That value should match the upper bound that we used to generate our LAMMPS tables.\n", - "\n", - "The substance names are used for the filenames that are generated during the simulation.\n", - "\n", - "You should always **check** the simulation log or output. **A simple consistency check is the density** reported by LAMMPS which has to match the density we computed from the `State` object above.\n", - "\n", - "*Example log output after equilibration:* \n", - "```\n", - "Step Temp PotEng KinEng Volume Density \n", - " 0 31.487142 -1205.8191 375.3349 138480.42 0.81297093 \n", - " 1000 31.608622 -1204.7169 376.78297 138480.42 0.81297093 \n", - " 2000 31.951485 -1198.6872 380.86999 138480.42 0.81297093 \n", - " 3000 32.182406 -1201.8826 383.62263 138480.42 0.81297093 \n", - " 4000 31.835575 -1200.741 379.48831 138480.42 0.81297093 \n", - " 5000 31.941999 -1206.9745 380.75691 138480.42 0.81297093 \n", - " 6000 31.438711 -1208.0502 374.75759 138480.42 0.81297093 \n", - " 7000 31.62501 -1207.2402 376.97832 138480.42 0.81297093\n", - "```" - ] - }, - { - "cell_type": "markdown", - "id": "e0fa60a1-aebd-4d8f-936d-a1ef8a718252", - "metadata": {}, - "source": [ - "### Read simulation results and compute rdf via DFT\n", - "\n", - "Simulation results can be read using `pandas.read_csv`.\n", - "To make parsing easier, we can add a `#` in the fourth line and define it as comment when reading the lammps results." - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "id": "61208cab-04c8-408c-a1d1-c97db8701577", - "metadata": {}, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "/tmp/ipykernel_2488791/3543885588.py:1: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\\s+'`` instead\n", - " simulation = pd.read_csv(\n" - ] - }, - { - "data": { - "text/html": [ - "
\n", - "\n", - "\n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - " \n", - "
irg11c11g12c12g21c21g22c22
010.0120.00.00.00.00.00.00.00.0
120.0360.00.00.00.00.00.00.00.0
230.0600.00.00.00.00.00.00.00.0
340.0840.00.00.00.00.00.00.00.0
450.1080.00.00.00.00.00.00.00.0
\n", - "
" - ], - "text/plain": [ - " i r g11 c11 g12 c12 g21 c21 g22 c22\n", - "0 1 0.012 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0\n", - "1 2 0.036 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0\n", - "2 3 0.060 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0\n", - "3 4 0.084 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0\n", - "4 5 0.108 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0" - ] - }, - "execution_count": 10, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "simulation = pd.read_csv(\n", - " 'deuterium_neon_32K.rdf', \n", - " delim_whitespace=True, \n", - " comment=\"#\",\n", - ")\n", - "simulation.head()" - ] - }, - { - "cell_type": "markdown", - "id": "e91537d2-3c3f-4129-9621-b0952a0600f5", - "metadata": {}, - "source": [ - "For DFT, we construct a second functional without the non-additive correction term (called `functional_additive`).\n", - "FeO$_\\mathrm{s}$ provides an object to calculate the rdf, the `PairCorrelation`.\n", - "\n", - "`PairCorrelation` takes a `State` as input, which we generate for given $T, p, \\mathbf{x}$ for both functionals.\n", - "We can then define the index of the substance that acts as fixed particle, the number of grid points and the maximum radial distance.\n", - "Once defined, we call the `solve` method to run the DFT calculation.\n", - "\n", - "After solving the equilibrium density profile, we can access the rdf for each substance given a fixed particle $i$ where $i$ is the index we used to initialize the `PairCorrelation` object.\n", - "To get all rdf for a binary system, two DFT calculations have to be conducted: one for substance 0 and one for substance 1 acting as fixed particle." - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "id": "1d0d0f49-be2b-4784-a630-9c2343768a63", - "metadata": {}, - "outputs": [], - "source": [ - "functional_additive = HelmholtzEnergyFunctional.saftvrqmie(parameters, inc_nonadd_term=False)\n", - "state_additive = State(functional_additive, temperature, pressure=pressure, molefracs=molefracs)\n", - "\n", - "state = State(functional, temperature, pressure=pressure, molefracs=molefracs)\n", - "\n", - "rdf0_additive = PairCorrelation(state_additive, 0, 1024, 12 * si.ANGSTROM).solve()\n", - "rdf1_additive = PairCorrelation(state_additive, 1, 1024, 12 * si.ANGSTROM).solve()\n", - "\n", - "rdf0 = PairCorrelation(state, 0, 1024, 12 * si.ANGSTROM).solve()\n", - "rdf1 = PairCorrelation(state, 1, 1024, 12 * si.ANGSTROM).solve()" - ] - }, - { - "cell_type": "markdown", - "id": "67956e16-8add-4042-8d0b-a66cb0e73ee5", - "metadata": {}, - "source": [ - "### Plot the results" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "id": "d3b96038-d595-4d36-9823-f15458766bfc", - "metadata": {}, - "outputs": [ - { - "data": { - "image/png": "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", - "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "plt.figure(figsize=(13, 7))\n", - "plt.plot(rdf0_additive.r / si.ANGSTROM, rdf0_additive.pair_correlation_function[0], color=colors[0], linestyle='dashed', label=r\"$g_{00}$ (DFT)\")\n", - "plt.plot(rdf0.r / si.ANGSTROM, rdf0.pair_correlation_function[0], color=colors[0], linestyle='dotted', label=r\"$g_{00}$ (DFT, nonadditive)\")\n", - "plt.plot(simulation.r, simulation.g11, color=colors[0], label=r\"$g_{00}$ (MD)\")\n", - "\n", - "plt.plot(rdf1_additive.r / si.ANGSTROM, rdf1_additive.pair_correlation_function[1], color=colors[1], linestyle='dashed', label=r\"$g_{11}$ (DFT)\")\n", - "plt.plot(rdf1.r / si.ANGSTROM, rdf1.pair_correlation_function[1], color=colors[1], linestyle='dotted', label=r\"$g_{11}$ (DFT, nonadditive)\")\n", - "plt.plot(simulation.r, simulation.g22, color=colors[1], label=r\"$g_{11}$ (MD)\")\n", - "\n", - "plt.plot(rdf0_additive.r / si.ANGSTROM, rdf0_additive.pair_correlation_function[1], color=colors[2], linestyle='dashed', label=r\"$g_{01}$ (DFT)\")\n", - "plt.plot(rdf0.r / si.ANGSTROM, rdf0.pair_correlation_function[1], color=colors[2], linestyle='dotted', label=r\"$g_{01}$ (DFT, nonadditive)\")\n", - "plt.plot(simulation.r, simulation.g12, color=colors[2], label=r\"$g_{01}$ (MD)\")\n", - "\n", - "plt.hlines(1.0, 0, 15, color=\"black\", linestyle=\"dashed\", alpha=0.5)\n", - "plt.xlim(2, 12)\n", - "plt.ylim(0, 4.0)\n", - "\n", - "plt.xlabel(r\"r / $\\mathrm{\\AA}$\")\n", - "plt.ylabel(\"$g(r)$\")\n", - "\n", - "plt.legend(frameon=False, loc=\"best\", ncol=3);\n", - "plt.tight_layout()" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "feos", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.9.10" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/genindex.html b/genindex.html new file mode 100644 index 000000000..06886b86b --- /dev/null +++ b/genindex.html @@ -0,0 +1,1455 @@ + + + + + + + Index - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+
+
+
+
+ + + + + Back to top + +
+
+ +
+ +
+
+ +
+

Index

+
_ | A | B | C | D | E | F | G | H | I | J | L | M | N | P | R | S | T | U | V
+
+
+

_

+ + +
+
+ +
+

A

+ + + +
+
+ +
+

B

+ + + +
+
+ +
+

C

+ + + +
+
+ +
+

D

+ + + +
+
+ +
+

E

+ + + +
+
+ +
+

F

+ + + +
+
+ +
+

G

+ + + +
+
+ +
+

H

+ + + +
+
+ +
+

I

+ + + +
+
+ +
+

J

+ + + +
+
+ +
+

L

+ + + +
+
+ +
+

M

+ + + +
+
+ +
+

N

+ + + +
+
+ +
+

P

+ + + +
+
+ +
+

R

+ + + +
+
+ +
+

S

+ + + +
+
+ +
+

T

+ + + +
+
+ +
+

U

+ + +
+
+ +
+

V

+ + + +
+
+ + +
+
+
+ + +
+
+ + Made with Sphinx and @pradyunsg's + + Furo + +
+
+ +
+
+ +
+
+ +
+
+ + + + + + + + + + \ No newline at end of file diff --git a/help_and_feedback.html b/help_and_feedback.html new file mode 100644 index 000000000..9dc45d724 --- /dev/null +++ b/help_and_feedback.html @@ -0,0 +1,706 @@ + + + + + + + + + Help & Feedback - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Help & Feedback

+

If you have feedback or need help, don’t hesitate to contact us.

+ +
+ +
+
+ +
+ +
+
+ + + + + + + + + + \ No newline at end of file diff --git a/index.html b/index.html new file mode 100644 index 000000000..05db5187b --- /dev/null +++ b/index.html @@ -0,0 +1,821 @@ + + + + + + + + + FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Welcome to \(\text{FeO}_\text{s}\)

+

\(\text{FeO}_\text{s}\) is a framework for thermodynamic equations of state (EoS) and classical density functional theory (DFT). +It is written in Rust with a Python interface.

+
+

Usage

+
+ +
+
import feos
+
+# Build an equation of state
+parameters = feos.Parameters.from_json(['methanol'], 'parameters.json')
+eos = feos.EquationOfState.pcsaft(parameters)
+
+# Define thermodynamic conditions
+critical_point = feos.State.critical_point(eos)
+
+# Compute properties
+p = critical_point.pressure()
+t = critical_point.temperature
+print(f'Critical point for methanol: T={t}, p={p}.')
+
+
+
Critical point for methanol: T=531.5 K, p=10.7 MPa.
+
+
+
+ +
+
// some imports omitted
+use feos::core::parameter::{IdentifierOption, Parameters};
+use feos::core::{Contributions, State};
+use feos::pcsaft::PcSaft;
+
+// Build an equation of state
+let parameters = Parameters::from_json(
+    vec!["methanol"],
+    "parameters.json",
+    None,
+    IdentifierOption::Name,
+)?;
+let eos = &PcSaft::new(parameters);
+
+// Define thermodynamic conditions
+let critical_point = State::critical_point(&eos, None, None, None, Default::default())?;
+
+// Compute properties
+let p = critical_point.pressure(Contributions::Total);
+let t = critical_point.temperature;
+println!("Critical point for methanol: T={}, p={}.", t, p);
+
+
+
Critical point for methanol: T=531.5 K, p=10.7 MPa.
+
+
+
+
+
+
+

Getting started

+ +
+
+

Want to learn more?

+ +
+
+

Features

+
+ +Equations of State
+
    +
  • thermodynamic properties

  • +
  • phase equilibria for pure substances and mixtures

  • +
  • critical point calculations for pure substances and mixtures

  • +
  • dynamic properties (entropy scaling)

  • +
  • stability analysis

  • +
+
+

Implemented equations of state

+
    +
  • PC-SAFT (incl. group contribution method)

  • +
  • ePC-SAFT

  • +
  • uv-Theory

  • +
  • SAFT-VR-Mie and the extension to quantum fluids SAFT-VRQ-Mie

  • +
  • PeTS

  • +
  • Multiparameter Helmholtz energy equations of state for common pure components

  • +
+
+
+ +Density Functional Theory
+
    +
  • interfacial properties,

  • +
  • properties in nanopores and at walls,

  • +
  • adsorption isotherms,

  • +
  • solvation free energies,

  • +
  • different dimensions and coordinate systems

  • +
+
+
+ +Extensibility / Usability
+
    +
  • Helmholtz energy uses generalized (hyper-) dual numbers - no analytical derivatives are needed.

  • +
  • Interfaces use dimensioned quantities - never accidentally mix molar and mass-specific properties.

  • +
  • Python bindings are written in Rust - robust type checking and error handling.

  • +
+
+
+
+
+
+
+
+
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/installation.html b/installation.html new file mode 100644 index 000000000..650c7728e --- /dev/null +++ b/installation.html @@ -0,0 +1,740 @@ + + + + + + + + + Installation - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Installation

+
+ +
+

\(\text{FeO}_\text{s}\) is available on PyPI. You can install it using pip:

+
pip install feos
+
+
+

If you have a Rust compiler installed and want to have the latest development version (github main branch), you can build and install the python wheel via

+
pip install git+https://github.com/feos-org/feos
+
+
+
+ +
+

In Rust, the feos-dft crate and each equation of state or DFT functional is a separate, optional module behind a feature flag. +To use \(\text{FeO}_\text{s}\) with all models (including Python bindings), use the all_models feature:

+
[dependencies]
+feos-core = "0.4"
+feos = { version="0.4", features = ["all_models"] }
+quantity = "0.6"
+
+
+

To access the generic implementations for properties and phase equilibria, the feos-core crate is also included as dependency. Finally, \(\text{FeO}_\text{s}\) makes extensive use of SI units provided by the quantity crate.

+

In the following example we use only the PC-SAFT equation of state and Helmholtz energy functionals (without Python bindings):

+
[dependencies]
+feos-core = "0.4"
+feos-dft = "0.4"
+feos = { version="0.4", features = ["dft", "pcsaft"] }
+quantity = "0.6"
+
+
+

To access generic DFT functionalities like interfaces and adsorption isotherms, the feos-dft crate is added to the dependencies.

+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/license-apache b/license-apache deleted file mode 100644 index afc82c3c8..000000000 --- a/license-apache +++ /dev/null @@ -1,176 +0,0 @@ - Copyright (c) 2021-2025 feos-org and Contributors. https://github.com/feos-org/feos - - Apache License - Version 2.0, January 2004 - http://www.apache.org/licenses/ - - TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION - - 1. Definitions. - - "License" shall mean the terms and conditions for use, reproduction, - and distribution as defined by Sections 1 through 9 of this document. - - "Licensor" shall mean the copyright owner or entity authorized by - the copyright owner that is granting the License. - - "Legal Entity" shall mean the union of the acting entity and all - other entities that control, are controlled by, or are under common - control with that entity. For the purposes of this definition, - "control" means (i) the power, direct or indirect, to cause the - direction or management of such entity, whether by contract or - otherwise, or (ii) ownership of fifty percent (50%) or more of the - outstanding shares, or (iii) beneficial ownership of such entity. - - "You" (or "Your") shall mean an individual or Legal Entity - exercising permissions granted by this License. - - "Source" form shall mean the preferred form for making modifications, - including but not limited to software source code, documentation - source, and configuration files. - - "Object" form shall mean any form resulting from mechanical - transformation or translation of a Source form, including but - not limited to compiled object code, generated documentation, - and conversions to other media types. - - "Work" shall mean the work of authorship, whether in Source or - Object form, made available under the License, as indicated by a - copyright notice that is included in or attached to the work - (an example is provided in the Appendix below). - - "Derivative Works" shall mean any work, whether in Source or Object - form, that is based on (or derived from) the Work and for which the - editorial revisions, annotations, elaborations, or other modifications - represent, as a whole, an original work of authorship. For the purposes - of this License, Derivative Works shall not include works that remain - separable from, or merely link (or bind by name) to the interfaces of, - the Work and Derivative Works thereof. - - "Contribution" shall mean any work of authorship, including - the original version of the Work and any modifications or additions - to that Work or Derivative Works thereof, that is intentionally - submitted to Licensor for inclusion in the Work by the copyright owner - or by an individual or Legal Entity authorized to submit on behalf of - the copyright owner. For the purposes of this definition, "submitted" - means any form of electronic, verbal, or written communication sent - to the Licensor or its representatives, including but not limited to - communication on electronic mailing lists, source code control systems, - and issue tracking systems that are managed by, or on behalf of, the - Licensor for the purpose of discussing and improving the Work, but - excluding communication that is conspicuously marked or otherwise - designated in writing by the copyright owner as "Not a Contribution." - - "Contributor" shall mean Licensor and any individual or Legal Entity - on behalf of whom a Contribution has been received by Licensor and - subsequently incorporated within the Work. - - 2. Grant of Copyright License. Subject to the terms and conditions of - this License, each Contributor hereby grants to You a perpetual, - worldwide, non-exclusive, no-charge, royalty-free, irrevocable - copyright license to reproduce, prepare Derivative Works of, - publicly display, publicly perform, sublicense, and distribute the - Work and such Derivative Works in Source or Object form. - - 3. Grant of Patent License. Subject to the terms and conditions of - this License, each Contributor hereby grants to You a perpetual, - worldwide, non-exclusive, no-charge, royalty-free, irrevocable - (except as stated in this section) patent license to make, have made, - use, offer to sell, sell, import, and otherwise transfer the Work, - where such license applies only to those patent claims licensable - by such Contributor that are necessarily infringed by their - Contribution(s) alone or by combination of their Contribution(s) - with the Work to which such Contribution(s) was submitted. If You - institute patent litigation against any entity (including a - cross-claim or counterclaim in a lawsuit) alleging that the Work - or a Contribution incorporated within the Work constitutes direct - or contributory patent infringement, then any patent licenses - granted to You under this License for that Work shall terminate - as of the date such litigation is filed. - - 4. Redistribution. You may reproduce and distribute copies of the - Work or Derivative Works thereof in any medium, with or without - modifications, and in Source or Object form, provided that You - meet the following conditions: - - (a) You must give any other recipients of the Work or - Derivative Works a copy of this License; and - - (b) You must cause any modified files to carry prominent notices - stating that You changed the files; and - - (c) You must retain, in the Source form of any Derivative Works - that You distribute, all copyright, patent, trademark, and - attribution notices from the Source form of the Work, - excluding those notices that do not pertain to any part of - the Derivative Works; and - - (d) If the Work includes a "NOTICE" text file as part of its - distribution, then any Derivative Works that You distribute must - include a readable copy of the attribution notices contained - within such NOTICE file, excluding those notices that do not - pertain to any part of the Derivative Works, in at least one - of the following places: within a NOTICE text file distributed - as part of the Derivative Works; within the Source form or - documentation, if provided along with the Derivative Works; or, - within a display generated by the Derivative Works, if and - wherever such third-party notices normally appear. The contents - of the NOTICE file are for informational purposes only and - do not modify the License. You may add Your own attribution - notices within Derivative Works that You distribute, alongside - or as an addendum to the NOTICE text from the Work, provided - that such additional attribution notices cannot be construed - as modifying the License. - - You may add Your own copyright statement to Your modifications and - may provide additional or different license terms and conditions - for use, reproduction, or distribution of Your modifications, or - for any such Derivative Works as a whole, provided Your use, - reproduction, and distribution of the Work otherwise complies with - the conditions stated in this License. - - 5. Submission of Contributions. Unless You explicitly state otherwise, - any Contribution intentionally submitted for inclusion in the Work - by You to the Licensor shall be under the terms and conditions of - this License, without any additional terms or conditions. - Notwithstanding the above, nothing herein shall supersede or modify - the terms of any separate license agreement you may have executed - with Licensor regarding such Contributions. - - 6. Trademarks. This License does not grant permission to use the trade - names, trademarks, service marks, or product names of the Licensor, - except as required for reasonable and customary use in describing the - origin of the Work and reproducing the content of the NOTICE file. - - 7. Disclaimer of Warranty. Unless required by applicable law or - agreed to in writing, Licensor provides the Work (and each - Contributor provides its Contributions) on an "AS IS" BASIS, - WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or - implied, including, without limitation, any warranties or conditions - of TITLE, NON-INFRINGEMENT, MERCHANTABILITY, or FITNESS FOR A - PARTICULAR PURPOSE. You are solely responsible for determining the - appropriateness of using or redistributing the Work and assume any - risks associated with Your exercise of permissions under this License. - - 8. Limitation of Liability. In no event and under no legal theory, - whether in tort (including negligence), contract, or otherwise, - unless required by applicable law (such as deliberate and grossly - negligent acts) or agreed to in writing, shall any Contributor be - liable to You for damages, including any direct, indirect, special, - incidental, or consequential damages of any character arising as a - result of this License or out of the use or inability to use the - Work (including but not limited to damages for loss of goodwill, - work stoppage, computer failure or malfunction, or any and all - other commercial damages or losses), even if such Contributor - has been advised of the possibility of such damages. - - 9. Accepting Warranty or Additional Liability. While redistributing - the Work or Derivative Works thereof, You may choose to offer, - and charge a fee for, acceptance of support, warranty, indemnity, - or other liability obligations and/or rights consistent with this - License. However, in accepting such obligations, You may act only - on Your own behalf and on Your sole responsibility, not on behalf - of any other Contributor, and only if You agree to indemnify, - defend, and hold each Contributor harmless for any liability - incurred by, or claims asserted against, such Contributor by reason - of your accepting any such warranty or additional liability. \ No newline at end of file diff --git a/license-mit b/license-mit deleted file mode 100644 index ef2c6c20b..000000000 --- a/license-mit +++ /dev/null @@ -1,7 +0,0 @@ -Copyright (c) 2021-2025 feos-org and Contributors. https://github.com/feos-org/feos - -Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: - -The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. - -THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. \ No newline at end of file diff --git a/manuscript/README.md b/manuscript/README.md deleted file mode 100644 index ed89e6e6a..000000000 --- a/manuscript/README.md +++ /dev/null @@ -1,3 +0,0 @@ -# Accompanying publication - -The codebase is accompanied by this peer reviewed publication that was published open access in Industrial & Engineering Chemistry Research, copyright © 2023 the authors, published by American Chemical Society. The publication is licensed under [CC-BY-NC-ND 4.0](https://creativecommons.org/licenses/by-nc-nd/4.0/). You can find the work on the publisher's website [here](https://doi.org/10.1021/acs.iecr.2c04561). \ No newline at end of file diff --git a/manuscript/manuscript.pdf b/manuscript/manuscript.pdf deleted file mode 100644 index 4b80b7e6b..000000000 Binary files a/manuscript/manuscript.pdf and /dev/null differ diff --git a/objects.inv b/objects.inv new file mode 100644 index 000000000..0c6342d59 Binary files /dev/null and b/objects.inv differ diff --git a/parameters/epcsaft/README.md b/parameters/epcsaft/README.md deleted file mode 100644 index 7f9542e0c..000000000 --- a/parameters/epcsaft/README.md +++ /dev/null @@ -1,22 +0,0 @@ -# ePC-SAFT Parameters - -This directory contains files with parameters for ePC-SAFT equation of state. -The files named according to the pattern `NameYear.json` correspond to published parameters. The corresponding publication is provided in the [`literature.bib`](literature.bib) file. - -## Notes - -- Experimental data for the permittivity has not been part of the original publication and has been added. -- Ion permittivity has been set to 8.0 as in [Bülow et al. (2021)](https://www.sciencedirect.com/science/article/pii/S0378381221000297). -- Contains only univalent cations and anions from [Held et al. (2014)](https://www.sciencedirect.com/science/article/pii/S0263876214002469) and carbonate. Multivalent ions need to be added. -- Correlation for `k_ij` of water/Na+ and water/K+ has not been adapted from [Held et al. (2014)](https://www.sciencedirect.com/science/article/pii/S0263876214002469). Instead, a constant value at 298.15 K is assumed. - -## Pure Substance Parameters -| file | model | publication | -| -------------------------------------------------------------------------- | ---------------------------------------- | :------------------------------------------------------: | -| [`held2014_w_permittivity_added.json`](held2014_w_permittivity_added.json) | parameters for univalent ions and water. | [🔗](https://doi.org/10.1016/j.cherd.2014.05.017) | - -## Binary Parameters - -| file | model | publication | -| ---------------------------------------------- | ----------------------------------------------- | :------------------------------------------------------: | -| [`held2014_binary.json`](held2014_binary.json) | binary parameters for univalent ions and water. | [🔗](https://doi.org/10.1016/j.cherd.2014.05.017) | diff --git a/parameters/epcsaft/held2014_binary.json b/parameters/epcsaft/held2014_binary.json deleted file mode 100644 index 2f6b96a05..000000000 --- a/parameters/epcsaft/held2014_binary.json +++ /dev/null @@ -1,1152 +0,0 @@ -[ - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "k_ij": [ - 0.0045, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "3812-32-6", - "name": "carbonate", - "formula": "CO3", - "smiles": "O=C([O-])[O-]" - }, - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "k_ij": [ - 0.25, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "k_ij": [ - 0.1997, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "k_ij": [ - 0.081, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "k_ij": [ - 0.064, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "k_ij": [ - 0.098, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "14066-20-7", - "name": "dihydrogenphosphate ion", - "formula": "H2PO4", - "smiles": "OP(=O)(O)[O-]" - }, - "k_ij": [ - 0.25, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "k_ij": [ - 0.654, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "k_ij": [ - 0.645, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "k_ij": [ - 0.497, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "id2": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "k_ij": [ - 0.861, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "k_ij": [ - 0.669, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "k_ij": [ - 0.591, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "k_ij": [ - 0.002, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "k_ij": [ - 0.406, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "k_ij": [ - 0.364, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "k_ij": [ - -0.566, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "16984-48-8", - "name": "fluoride ion", - "formula": "F", - "smiles": "[F-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "k_ij": [ - 0.665, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "k_ij": [ - 0.317, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "k_ij": [ - 0.29, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "k_ij": [ - 0.018, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "k_ij": [ - -0.118, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "k_ij": [ - -0.3, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "id2": { - "cas": "14066-20-7", - "name": "dihydrogenphosphate ion", - "formula": "H2PO4", - "smiles": "OP(=O)(O)[O-]" - }, - "k_ij": [ - -0.071, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "k_ij": [ - 0.649, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "id2": { - "cas": "3812-32-6", - "name": "carbonate", - "formula": "CO3", - "smiles": "O=C([O-])[O-]" - }, - "k_ij": [ - -1.0, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "id2": { - "cas": "72-52-3", - "name": "hydrogen-carbonate", - "formula": "HCO3", - "smiles": "C(=O)(O)[O-]" - }, - "k_ij": [ - -0.514, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "16984-48-8", - "name": "fluoride ion", - "formula": "F", - "smiles": "[F-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "k_ij": [ - 1.0, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "k_ij": [ - 0.064, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "k_ij": [ - -0.102, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "k_ij": [ - -0.312, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "k_ij": [ - -0.585, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "id2": { - "cas": "14066-20-7", - "name": "dihydrogenphosphate ion", - "formula": "H2PO4", - "smiles": "OP(=O)(O)[O-]" - }, - "k_ij": [ - -0.018, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "k_ij": [ - 1.0, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "id2": { - "cas": "3812-32-6", - "name": "carbonate", - "formula": "CO3", - "smiles": "O=C([O-])[O-]" - }, - "k_ij": [ - 1.0, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "id2": { - "cas": "72-52-3", - "name": "hydrogen-carbonate", - "formula": "HCO3", - "smiles": "C(=O)(O)[O-]" - }, - "k_ij": [ - -0.476, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "16984-48-8", - "name": "fluoride ion", - "formula": "F", - "smiles": "[F-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "k_ij": [ - 1.0, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "k_ij": [ - -0.417, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "k_ij": [ - -0.67, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "k_ij": [ - -1.0, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "k_ij": [ - -0.855, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "k_ij": [ - 0.564, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "k_ij": [ - -0.566, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "k_ij": [ - -0.639, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "k_ij": [ - -0.787, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "k_ij": [ - -1.0, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "k_ij": [ - -0.419, - 0.0, - 0.0, - 0.0 - ] - }, - { - "id1": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "id2": { - "cas": "14066-20-7", - "name": "dihydrogenphosphate ion", - "formula": "H2PO4", - "smiles": "OP(=O)(O)[O-]" - }, - "k_ij": [ - -1.0, - 0.0, - 0.0, - 0.0 - ] - } -] \ No newline at end of file diff --git a/parameters/epcsaft/held2014_w_permittivity_added.json b/parameters/epcsaft/held2014_w_permittivity_added.json deleted file mode 100644 index 64bbb4696..000000000 --- a/parameters/epcsaft/held2014_w_permittivity_added.json +++ /dev/null @@ -1,410 +0,0 @@ -[ - { - "identifier": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.0152, - "m": 1.2047, - "sigma": 2.7927, - "epsilon_k": 353.95, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 280.15, - 84.89 - ], - [ - 298.15, - 78.39 - ], - [ - 360.15, - 58.73 - ] - ] - } - }, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.04509, - "epsilon_k_ab": 2425.7 - } - ] - }, - { - "identifier": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "molarweight": 79.9, - "m": 1, - "sigma": 3.0707, - "epsilon_k": 190, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "3812-32-6", - "name": "carbonate", - "formula": "CO3", - "smiles": "O=C([O-])[O-]" - }, - "molarweight": 60.009, - "m": 1, - "sigma": 2.4422, - "epsilon_k": 249.26, - "z": -2, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "molarweight": 35.45, - "m": 1, - "sigma": 2.756, - "epsilon_k": 170, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "16984-48-8", - "name": "fluoride ion", - "formula": "F", - "smiles": "[F-]" - }, - "molarweight": 18.9984, - "m": 1, - "sigma": 1.7712, - "epsilon_k": 275, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "72-52-3", - "name": "hydrogen-carbonate", - "formula": "HCO3", - "smiles": "C(=O)(O)[O-]" - }, - "molarweight": 61.0168, - "m": 1, - "sigma": 2.9296, - "epsilon_k": 70, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "molarweight": 1.0074, - "m": 1, - "sigma": 3.4654, - "epsilon_k": 500, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "molarweight": 17.0073, - "m": 1, - "sigma": 2.0177, - "epsilon_k": 650, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "molarweight": 126.9045, - "m": 1, - "sigma": 3.6672, - "epsilon_k": 200, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "molarweight": 7, - "m": 1, - "sigma": 2.8449, - "epsilon_k": 360, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "molarweight": 39.098, - "m": 1, - "sigma": 3.3417, - "epsilon_k": 200, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "molarweight": 22.98977, - "m": 1, - "sigma": 2.8232, - "epsilon_k": 230, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "molarweight": 132.905, - "m": 1, - "sigma": 3.9246, - "epsilon_k": 180, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "molarweight": 18.04, - "m": 1, - "sigma": 3.574, - "epsilon_k": 230, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "molarweight": 62.0049, - "m": 1, - "sigma": 3.2988, - "epsilon_k": 130, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "molarweight": 99.45, - "m": 1, - "sigma": 4.0186, - "epsilon_k": 104.16, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - }, - { - "identifier": { - "cas": "14066-20-7", - "name": "dihydrogenphosphate ion", - "formula": "H2PO4", - "smiles": "OP(=O)(O)[O-]" - }, - "molarweight": 96.986, - "m": 1, - "sigma": 3.6505, - "epsilon_k": 95.0, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } -] \ No newline at end of file diff --git a/parameters/epcsaft/literature.bib b/parameters/epcsaft/literature.bib deleted file mode 100644 index b0aafff0c..000000000 --- a/parameters/epcsaft/literature.bib +++ /dev/null @@ -1,15 +0,0 @@ -@article{Held.2014, - author = {Held, Christoph and Reschke, Thomas and Mohammad, Sultan and Luza, Armando and Sadowski, Gabriele}, - journal = {{Chemical Engineering Research and Design}}, - title = {{ePC-SAFT revised}}, - year = {2014}, - issn = {02638762}, - number = {12}, - pages = {2884--2897}, - volume = {92}, - abstract = {Chemical Engineering Research and Design, 92 (2014) 2884-2897. doi:10.1016/j.cherd.2014.05.017}, - doi = {10.1016/j.cherd.2014.05.017}, - file = {Held2014 ePC-SAFT revised (2):C\:\\Users\\lneumaier\\Documents\\Citavi 6\\Projects\\PhD_Lisa\\Citavi Attachments\\Held2014 ePC-SAFT revised (2).pdf:pdf}, - groups = {Permittivity, Electrolyte thermodynamics}, - keywords = {Activity coefficients;Electrolytes;LLE;Osmotic coefficients;Solubility;VLE}, -} \ No newline at end of file diff --git a/parameters/ideal_gas/README.md b/parameters/ideal_gas/README.md deleted file mode 100644 index 6f1feca87..000000000 --- a/parameters/ideal_gas/README.md +++ /dev/null @@ -1,19 +0,0 @@ -# Parameters for ideal gas models - -This directory contains files with parameters for different models for ideal gas heat capacities. -The files named according to the pattern `NameYear.json` correspond to published parameters. The corresponding publication is provided in the [`literature.bib`](literature.bib) file. - -## DIPPR correlations - -The parameters published in the DIPPR database itself are not publicly available. If you have a valid license, contact us to obtain a compatible input file. - -|file|description|publication(s)| -|-|-|:-:| -[`poling2000.json`](poling2000.json) | correlation parameters published in "The Properties of Gases and Liquids, 5th edition" | | -[`burkhardt2025.json`](burkhardt2025.json) | correlation parameters for equation DIPPR 107 | [🔗](https://doi.org/10.1021/acs.jced.5c00573)| - -## Joback group-contribution model - -|file|description|publication(s)| -|-|-|:-:| -[`joback1987.json`](joback1987.json) | group parameters by Joback and Reid; adjusted to the groups of [Sauer et al.](../pcsaft/README.md) | [🔗](https://doi.org/10.1080/00986448708960487)| diff --git a/parameters/ideal_gas/burkhardt2025.json b/parameters/ideal_gas/burkhardt2025.json deleted file mode 100644 index dd06db0ff..000000000 --- a/parameters/ideal_gas/burkhardt2025.json +++ /dev/null @@ -1,19756 +0,0 @@ -[ - { - "identifier": { - "cas": "100-00-5", - "name": "4-chloronitrobenzene", - "iupac_name": "1-chloro-4-nitrobenzene", - "formula": "C6H4ClNO2", - "smiles": "C1=CC(=CC=C1[N+](=O)[O-])Cl", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 53180.074894897814, - 256917.6682450963, - 444.63389052213097, - -125660.90319721286, - 500.7155314072237 - ] - }, - { - "identifier": { - "cas": "100-25-4", - "name": "1,4-dinitrobenzene", - "iupac_name": "1,4-dinitrobenzene", - "formula": "C6H4N2O4", - "smiles": "C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]", - "inchi": "InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H" - }, - "DIPPR107": [ - 52932.14406239011, - 307940.04117917136, - 415.36926824657104, - -176131.4426217048, - 472.6674320596712 - ] - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "formula": "C8H10", - "smiles": "CCC1=CC=CC=C1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "DIPPR107": [ - 37562.97613349787, - 352476.697414704, - 441.5394388769913, - -249549.80755668637, - 523.5571795914235 - ] - }, - { - "identifier": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "formula": "C8H8", - "smiles": "C=CC1=CC=CC=C1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "DIPPR107": [ - 47229.82644101811, - 329906.52892506536, - 633.3644283271689, - -134108.53290891423, - 889.3005133014848 - ] - }, - { - "identifier": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "formula": "C7H5N", - "smiles": "C1=CC=C(C=C1)C#N", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "DIPPR107": [ - 49261.56607270942, - 239260.54131047614, - 532.0667087746832, - -112032.57877986529, - 603.473313132854 - ] - }, - { - "identifier": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "formula": "C7H6O", - "smiles": "C1=CC=C(C=C1)C=O", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "DIPPR107": [ - 47849.8217835247, - 256335.96890810633, - 375.8333668457, - -220671.36390313957, - 445.549066195891 - ] - }, - { - "identifier": { - "cas": "100-64-1", - "name": "cyclohexanone oxime", - "iupac_name": "n-cyclohexylidenehydroxylamine", - "formula": "C6H11NO", - "smiles": "C1CCC(=NO)CC1", - "inchi": "InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2" - }, - "DIPPR107": [ - 58161.99397718894, - 349962.72210000234, - 460.9611709858292, - -249835.840516464, - 520.4430401474405 - ] - }, - { - "identifier": { - "cas": "100-66-3", - "name": "anisole", - "iupac_name": "anisole", - "formula": "C7H8O", - "smiles": "COC1=CC=CC=C1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "DIPPR107": [ - 53644.032916848875, - 315952.20565075555, - 582.6579315401502, - -148663.1229507345, - 706.2673845894458 - ] - }, - { - "identifier": { - "cas": "100-80-1", - "name": "1-ethenyl-3-methylbenzene", - "iupac_name": "1-ethenyl-3-methylbenzene", - "formula": "C9H10", - "smiles": "CC1=CC(=CC=C1)C=C", - "inchi": "InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3" - }, - "DIPPR107": [ - 53570.0656030568, - 379194.29956874455, - 554.9662449734249, - -201200.7409477442, - 685.6956687375906 - ] - }, - { - "identifier": { - "cas": "10024-97-2", - "name": "nitrous oxide", - "iupac_name": "nitrous oxide", - "formula": "N2O", - "smiles": "[N-]=[N+]=O", - "inchi": "InChI=1S/N2O/c1-2-3" - }, - "DIPPR107": [ - 29330.85782662623, - 34293.187894550865, - 1181.2951623288536, - 23014.821661098373, - 492.8438253961903 - ] - }, - { - "identifier": { - "cas": "10025-78-2", - "name": "trichlorosilane", - "iupac_name": "trichlorosilane", - "formula": "Cl3HSi", - "smiles": "[SiH](Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl3HSi/c1-4(2)3/h4H" - }, - "DIPPR107": [ - 45100.55220922898, - 61652.370351589256, - 379.9008684292247, - -17390.358053265405, - 515.7751881129785 - ] - }, - { - "identifier": { - "cas": "10025-87-3", - "name": "phosphorus oxychloride", - "iupac_name": "phosphoryl trichloride", - "formula": "Cl3OP", - "smiles": "O=P(Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl3OP/c1-5(2,3)4" - }, - "DIPPR107": [ - 50063.242268025344, - 57936.973326413594, - 730.5431867818018, - 54412.93684748274, - 337.6379518778381 - ] - }, - { - "identifier": { - "cas": "10026-04-7", - "name": "tetrachlorosilane", - "iupac_name": "tetrachlorosilane", - "formula": "Cl4Si", - "smiles": "[Si](Cl)(Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl4Si/c1-5(2,3)4" - }, - "DIPPR107": [ - 37316.5720195124, - 70757.53052758532, - 173.77009378874456, - -32331.37551880692, - 209.1225425983129 - ] - }, - { - "identifier": { - "cas": "10026-13-8", - "name": "phosphorus pentachloride", - "iupac_name": "pentachloro-lambda5-phosphane", - "formula": "Cl5P", - "smiles": "P(Cl)(Cl)(Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl5P/c1-6(2,3,4)5" - }, - "DIPPR107": [ - 33657.69063256162, - 99409.62715259263, - 191.5538522482704, - -26320.646704844035, - 211.5408431227797 - ] - }, - { - "identifier": { - "cas": "10028-15-6", - "name": "ozone", - "iupac_name": "ozone", - "formula": "O3", - "smiles": "[O-][O+]=O", - "inchi": "InChI=1S/O3/c1-3-2" - }, - "DIPPR107": [ - 33234.706071582725, - 24771.07598464154, - 995.9602413401784, - 14397.394923008127, - 556.3743585226352 - ] - }, - { - "identifier": { - "cas": "1003-09-4", - "name": "2-bromothiophene", - "iupac_name": "2-bromothiophene", - "formula": "C4H3BrS", - "smiles": "C1=CSC(=C1)Br", - "inchi": "InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H" - }, - "DIPPR107": [ - 43070.31613437398, - 153046.54963403475, - 433.5885290508053, - -84129.65872358401, - 485.5974080650009 - ] - }, - { - "identifier": { - "cas": "1003-66-3", - "name": "deuteriooxybenzene", - "iupac_name": "deuteriooxybenzene", - "formula": "C6H6O", - "smiles": "C1=CC=C(C=C1)O", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i/hD" - }, - "DIPPR107": [ - 34082.35864586902, - 239214.1785934736, - 389.5025050080686, - -166275.73947598308, - 458.1594629908868 - ] - }, - { - "identifier": { - "cas": "10034-85-2", - "name": "hydriodic acid", - "iupac_name": "iodane", - "formula": "HI", - "smiles": "I", - "inchi": "InChI=1S/HI/h1H" - }, - "DIPPR107": [ - 29132.00139333561, - 12016.822232803499, - 3888.68196457664, - 9846.232914264197, - 1654.4434552585317 - ] - }, - { - "identifier": { - "cas": "10035-10-6", - "name": "hydrogen bromide", - "iupac_name": "bromane", - "formula": "BrH", - "smiles": "Br", - "inchi": "InChI=1S/BrH/h1H" - }, - "DIPPR107": [ - 29128.716271720205, - 11877.726907461269, - 4327.37295807587, - 9699.802875251782, - 1876.4022114885272 - ] - }, - { - "identifier": { - "cas": "10043-35-3", - "name": "boric acid", - "iupac_name": "boric acid", - "formula": "BH3O3", - "smiles": "B(O)(O)O", - "inchi": "InChI=1S/BH3O3/c2-1(3)4/h2-4H" - }, - "DIPPR107": [ - 37830.608911615294, - 115144.36125344413, - 549.4008294735887, - -49868.865952173815, - 755.2624997760822 - ] - }, - { - "identifier": { - "cas": "10049-04-4", - "name": "chlorine dioxide", - "iupac_name": "chlorite", - "formula": "ClO2", - "smiles": "O=Cl[O]", - "inchi": "InChI=1S/ClO2/c2-1-3" - }, - "DIPPR107": [ - 34141.13578313469, - 25829.87483357693, - 1175.738248880106, - 21677.41532336989, - 538.8289684820745 - ] - }, - { - "identifier": { - "cas": "10102-03-1", - "name": "dinitrogen pentaoxide", - "iupac_name": "nitro nitrate", - "formula": "N2O5", - "smiles": "[N+](=O)([O-])O[N+](=O)[O-]", - "inchi": "InChI=1S/N2O5/c3-1(4)7-2(5)6" - }, - "DIPPR107": [ - 48391.221939961586, - 100563.1883642375, - 417.0150567294773, - -47330.39430185865, - 478.4076467426666 - ] - }, - { - "identifier": { - "cas": "10102-43-9", - "name": "nitric oxide", - "iupac_name": "nitric oxide", - "formula": "NO", - "smiles": "[N]=O", - "inchi": "InChI=1S/NO/c1-2" - }, - "DIPPR107": [ - 32316.549466111934, - 5613.5516919162055, - 1511.7347497145022, - -5957.694243804317, - 452.96460231325466 - ] - }, - { - "identifier": { - "cas": "10102-44-0", - "name": "nitrogen peroxide", - "iupac_name": "nitrogen dioxide", - "formula": "NO2", - "smiles": "N(=O)[O]", - "inchi": "InChI=1S/NO2/c2-1-3" - }, - "DIPPR107": [ - 33392.78773390814, - 27149.388721789794, - 1494.4864624091551, - 18617.466827565266, - 704.5486445449214 - ] - }, - { - "identifier": { - "cas": "10112-09-1", - "name": "chloromethyl silane", - "iupac_name": "chloromethylsilane", - "formula": "CH5ClSi", - "smiles": "C([SiH3])Cl", - "inchi": "InChI=1S/CH5ClSi/c2-1-3/h1H2,3H3" - }, - "DIPPR107": [ - 38236.49294336205, - 136950.6668650248, - 534.1551576926595, - -64886.093072755124, - 701.096553801804 - ] - }, - { - "identifier": { - "cas": "102-54-5", - "name": "dicyclopentadienyliron", - "iupac_name": "cyclopenta-1,3-diene; iron(+2) cation", - "formula": "C10H10Fe", - "smiles": "C1=C[CH]C=C1.C1=C[CH]C=C1.[Fe]", - "inchi": "InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;" - }, - "DIPPR107": [ - 108486.73631752566, - 395365.24299517286, - 1721.8420537548857, - 321913.848232201, - 785.594849492976 - ] - }, - { - "identifier": { - "cas": "102687-65-0", - "name": "102687-65-0", - "iupac_name": "(e)-1-chloro-3,3,3-trifluoroprop-1-ene", - "formula": "C3H2ClF3", - "smiles": "C(=CCl)C(F)(F)F", - "inchi": "InChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "DIPPR107": [ - 54505.45363157262, - 142668.4709119692, - 397.5544740212037, - -75327.27682054871, - 457.2875668706608 - ] - }, - { - "identifier": { - "cas": "10294-34-5", - "name": "boron trichloride", - "iupac_name": "trichloroborane", - "formula": "BCl3", - "smiles": "B(Cl)(Cl)Cl", - "inchi": "InChI=1S/BCl3/c2-1(3)4" - }, - "DIPPR107": [ - 30085.76694129702, - 52653.01157884732, - 215.0658312147821, - -29868.566728550428, - 278.75218333371595 - ] - }, - { - "identifier": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "formula": "C9H12", - "smiles": "CCCC1=CC=CC=C1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "DIPPR107": [ - 45688.952414256455, - 428155.08613587177, - 541.1989409457761, - -229314.51960031953, - 673.4576893496076 - ] - }, - { - "identifier": { - "cas": "103-71-9", - "name": "phenyl isocyanate", - "iupac_name": "isocyanatobenzene", - "formula": "C7H5NO", - "smiles": "C1=CC=C(C=C1)N=C=O", - "inchi": "InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H" - }, - "DIPPR107": [ - 54389.384257054284, - 260865.13103496103, - 542.5417774791441, - -114287.63210789092, - 625.0916824283244 - ] - }, - { - "identifier": { - "cas": "103905-53-9", - "name": "cyclopenta-1,3-dien-1-ol", - "iupac_name": "cyclopenta-1,3-dien-1-ol", - "formula": "C5H6O", - "smiles": "C1C=CC=C1O", - "inchi": "InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-3,6H,4H2" - }, - "DIPPR107": [ - 38863.92209580947, - 233257.66732952782, - 527.711590389548, - -130636.19763039035, - 639.5926725170259 - ] - }, - { - "identifier": { - "cas": "103905-54-0", - "name": "cyclopenta-1,4-dien-1-ol", - "iupac_name": "cyclopenta-1,4-dien-1-ol", - "formula": "C5H6O", - "smiles": "C1C=CC(=C1)O", - "inchi": "InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3-4,6H,2H2" - }, - "DIPPR107": [ - 39127.11344075392, - 233059.92777734518, - 530.6082547456929, - -129079.84524011039, - 642.880713490482 - ] - }, - { - "identifier": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "formula": "C10H14", - "smiles": "CCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "DIPPR107": [ - 53814.92869501506, - 487842.44862098317, - 540.0705815053647, - -263490.83953036374, - 675.554368608294 - ] - }, - { - "identifier": { - "cas": "104-72-3", - "name": "1-phenyldecane", - "iupac_name": "decylbenzene", - "formula": "C16H26", - "smiles": "CCCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3" - }, - "DIPPR107": [ - 102570.78637956663, - 842886.5928305215, - 529.1205805499558, - -474926.1684081194, - 671.6902934187515 - ] - }, - { - "identifier": { - "cas": "104-76-7", - "name": "2-ethylhexan-1-ol", - "iupac_name": "2-ethylhexan-1-ol", - "formula": "C8H18O", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "DIPPR107": [ - 86782.22236820601, - 478852.1146591464, - 456.99265860061473, - -347128.0772960589, - 534.1337836663168 - ] - }, - { - "identifier": { - "cas": "104-85-8", - "name": "p-tolunitrile", - "iupac_name": "4-methylbenzonitrile", - "formula": "C8H7N", - "smiles": "CC1=CC=C(C=C1)C#N", - "inchi": "InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3" - }, - "DIPPR107": [ - 54886.15923590195, - 302282.87923391635, - 466.5425664765246, - -195611.2168637068, - 551.332995793448 - ] - }, - { - "identifier": { - "cas": "104-88-1", - "name": "4-chlorobenzaldehyde", - "iupac_name": "4-chlorobenzaldehyde", - "formula": "C7H5ClO", - "smiles": "C1=CC(=CC=C1C=O)Cl", - "inchi": "InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H" - }, - "DIPPR107": [ - 56690.41064931184, - 255996.396165492, - 452.7425889324742, - -152827.058065796, - 527.8555544368103 - ] - }, - { - "identifier": { - "cas": "105-60-2", - "name": "azepan-2-one", - "iupac_name": "azepan-2-one", - "formula": "C6H11NO", - "smiles": "C1CCC(=O)NCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "DIPPR107": [ - 52472.527764545826, - 364215.91758813517, - 472.9849984649784, - -248508.2990666617, - 538.0909286675659 - ] - }, - { - "identifier": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "formula": "C8H10O", - "smiles": "CC1=CC(=C(C=C1)O)C", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "DIPPR107": [ - 49280.214160017815, - 347421.25815914193, - 308.35865070083685, - -329216.0343218364, - 382.1858991140457 - ] - }, - { - "identifier": { - "cas": "10536-67-1", - "name": "trideuteriomethylsilane", - "iupac_name": "methyl-d3-silane", - "formula": "CH6Si", - "smiles": "C[SiH3]", - "inchi": "InChI=1S/CH6Si/c1-2/h1-2H3/i1D3" - }, - "DIPPR107": [ - 33822.83369328607, - 143159.00207631814, - 526.5352084124052, - -75508.1658730321, - 662.6089202846596 - ] - }, - { - "identifier": { - "cas": "10536-68-2", - "name": "trideuterio-trideuteriomethyl-silane", - "iupac_name": "methyl-d3-silane-d3", - "formula": "CH6Si", - "smiles": "C[SiH3]", - "inchi": "InChI=1S/CH6Si/c1-2/h1-2H3/i1D3,2D3" - }, - "DIPPR107": [ - 35120.58230482474, - 142432.66198240645, - 478.7008666668796, - -67826.79945376042, - 608.6811742850948 - ] - }, - { - "identifier": { - "cas": "10544-50-0", - "name": "octathiocane", - "iupac_name": "octathiocane", - "formula": "S8", - "smiles": "S1SSSSSSS1", - "inchi": "InChI=1S/S8/c1-2-4-6-8-7-5-3-1" - }, - "DIPPR107": [ - 41571.65, - 138613.99024440374, - 230.8525136681723, - 4817.7365392222355, - 1179.9357174019417 - ] - }, - { - "identifier": { - "cas": "10544-72-6", - "name": "dinitrogen tetroxide", - "iupac_name": "dinitrogen tetroxide", - "formula": "N2O4", - "smiles": "[N+](=O)([N+](=O)[O-])[O-]", - "inchi": "InChI=1S/N2O4/c3-1(4)2(5)6" - }, - "DIPPR107": [ - 45030.99350404523, - 86849.94615639353, - 405.4265452328502, - -43728.81586080891, - 494.2229605457063 - ] - }, - { - "identifier": { - "cas": "10544-73-7", - "name": "dinitrogen trioxide", - "iupac_name": "n-oxonitramide", - "formula": "N2O3", - "smiles": "N(=O)[N+](=O)[O-]", - "inchi": "InChI=1S/N2O3/c3-1-2(4)5" - }, - "DIPPR107": [ - 41859.76105900882, - 61454.288799583635, - 917.4871624169572, - 42981.88271235347, - 369.1176139193295 - ] - }, - { - "identifier": { - "cas": "10545-99-0", - "name": "sulfur dichloride", - "iupac_name": "chloro thiohypochlorite", - "formula": "Cl2S", - "smiles": "S(Cl)Cl", - "inchi": "InChI=1S/Cl2S/c1-3-2" - }, - "DIPPR107": [ - 38255.52826128824, - 19927.72859540937, - 644.5085419244708, - 17653.71465237724, - 331.7883428060013 - ] - }, - { - "identifier": { - "cas": "106-37-6", - "name": "1,4-dibromobenzene", - "iupac_name": "1,4-dibromobenzene", - "formula": "C6H4Br2", - "smiles": "C1=CC(=CC=C1Br)Br", - "inchi": "InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "DIPPR107": [ - 53855.88291625211, - 211676.4411963566, - 441.70559073554864, - -116953.55830566773, - 517.361346285122 - ] - }, - { - "identifier": { - "cas": "106-40-1", - "name": "4-bromoaniline", - "iupac_name": "4-bromoaniline", - "formula": "C6H6BrN", - "smiles": "C1=CC(=CC=C1N)Br", - "inchi": "InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" - }, - "DIPPR107": [ - 47804.05719456806, - 262326.7702281416, - 499.132428154488, - -115738.79959364768, - 617.4806206383113 - ] - }, - { - "identifier": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "formula": "C8H10", - "smiles": "CC1=CC=C(C=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "DIPPR107": [ - 48072.34877609537, - 348508.04508400115, - 459.343288050198, - -261641.81004821567, - 533.6627650630561 - ] - }, - { - "identifier": { - "cas": "106-44-5", - "name": "p-cresol", - "iupac_name": "4-methylphenol", - "formula": "C7H8O", - "smiles": "CC1=CC=C(C=C1)O", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "DIPPR107": [ - 40413.44356319308, - 294295.8187114862, - 366.14479901266986, - -241148.34790213677, - 435.5579682125366 - ] - }, - { - "identifier": { - "cas": "106-46-7", - "name": "1,4-dichlorobenzene", - "iupac_name": "1,4-dichlorobenzene", - "formula": "C6H4Cl2", - "smiles": "C1=CC(=CC=C1Cl)Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "DIPPR107": [ - 47973.252084036045, - 214370.08749507557, - 425.27080001134766, - -123833.4031743047, - 484.12891525675 - ] - }, - { - "identifier": { - "cas": "106-47-8", - "name": "4-chloroaniline", - "iupac_name": "4-chloroaniline", - "formula": "C6H6ClN", - "smiles": "C1=CC(=CC=C1N)Cl", - "inchi": "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" - }, - "DIPPR107": [ - 45470.79904608179, - 264738.9115526745, - 501.84442588196094, - -117013.46253149367, - 618.962905645629 - ] - }, - { - "identifier": { - "cas": "106-49-0", - "name": "p-toluidine", - "iupac_name": "4-methylaniline", - "formula": "C7H9N", - "smiles": "CC1=CC=C(C=C1)N", - "inchi": "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3" - }, - "DIPPR107": [ - 40944.65969934288, - 320478.88330771757, - 409.2740667969615, - -238057.866424874, - 483.39603986870526 - ] - }, - { - "identifier": { - "cas": "106-51-4", - "name": "p-benzoquinone", - "iupac_name": "cyclohexa-2,5-diene-1,4-dione", - "formula": "C6H4O2", - "smiles": "C1=CC(=O)C=CC1=O", - "inchi": "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "DIPPR107": [ - 39947.00836627178, - 222313.8316137648, - 377.6463915440918, - -164107.76913448275, - 440.5681990415412 - ] - }, - { - "identifier": { - "cas": "106-68-3", - "name": "3-octanone", - "iupac_name": "octan-3-one", - "formula": "C8H16O", - "smiles": "CCCCCC(=O)CC", - "inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3" - }, - "DIPPR107": [ - 83952.89990177694, - 411453.8283381331, - 386.515881623745, - -332824.0948797415, - 480.78944762946753 - ] - }, - { - "identifier": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "formula": "C4H8O", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "DIPPR107": [ - 51541.58412219995, - 221381.33832181347, - 507.9312064640146, - -151445.4799955089, - 565.6890011013033 - ] - }, - { - "identifier": { - "cas": "106-94-5", - "name": "1-bromopropane", - "iupac_name": "1-bromopropane", - "formula": "C3H7Br", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "DIPPR107": [ - 51765.22487000291, - 171593.01068366898, - 506.50070326360645, - -115068.63459948586, - 552.0191978149777 - ] - }, - { - "identifier": { - "cas": "106-95-6", - "name": "allyl bromide", - "iupac_name": "3-bromoprop-1-ene", - "formula": "C3H5Br", - "smiles": "C=CCBr", - "inchi": "InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2" - }, - "DIPPR107": [ - 42611.656732600124, - 149040.880074076, - 522.547249818902, - -85930.00201593012, - 624.0612700235952 - ] - }, - { - "identifier": { - "cas": "106-97-8", - "name": "butane", - "iupac_name": "butane", - "formula": "C4H10", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "DIPPR107": [ - 40394.50018109396, - 239596.63698247992, - 354.8376053151188, - -239327.5830812167, - 455.5611903241158 - ] - }, - { - "identifier": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "formula": "C4H8", - "smiles": "CCC=C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "DIPPR107": [ - 43705.95664814281, - 211171.94177807245, - 534.8207359368461, - -138384.8239726065, - 620.8251244819111 - ] - }, - { - "identifier": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "formula": "C4H6", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "DIPPR107": [ - 39142.19056134942, - 171800.09557781424, - 523.4367666475497, - -94472.29287853827, - 602.3858778622468 - ] - }, - { - "identifier": { - "cas": "1066-35-9", - "name": "dimethylsilyl chloride", - "iupac_name": "chloro(dimethyl)silane", - "formula": "C2H7ClSi", - "smiles": "C[SiH](C)Cl", - "inchi": "InChI=1S/C2H7ClSi/c1-4(2)3/h4H,1-2H3" - }, - "DIPPR107": [ - 51123.65025078206, - 185710.8937091815, - 519.8562442199952, - -95999.73106281216, - 703.5057993531939 - ] - }, - { - "identifier": { - "cas": "1066-43-9", - "name": "silane-d3, methyl-", - "iupac_name": "trideuterio(methyl)silane", - "formula": "CH6Si", - "smiles": "C[SiH3]", - "inchi": "InChI=1S/CH6Si/c1-2/h1-2H3/i2D3" - }, - "DIPPR107": [ - 33822.83369328607, - 140175.74510073668, - 509.8221655852188, - -72077.2758788127, - 662.3771128367247 - ] - }, - { - "identifier": { - "cas": "1067-08-9", - "name": "3-ethyl-3-methylpentane", - "iupac_name": "3-ethyl-3-methylpentane", - "formula": "C8H18", - "smiles": "CCC(C)(CC)CC", - "inchi": "InChI=1S/C8H18/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3" - }, - "DIPPR107": [ - 83314.66807183097, - 456763.11222957604, - 442.3659525272494, - -336405.5964588104, - 524.2571814920811 - ] - }, - { - "identifier": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "formula": "C4H6", - "smiles": "CCC#C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "DIPPR107": [ - 44981.39590179689, - 175022.329202789, - 599.8839053613696, - -98974.46447656519, - 749.0137587461738 - ] - }, - { - "identifier": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "formula": "C3H4O", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "DIPPR107": [ - 40515.839866055634, - 131937.97535448987, - 530.195367903748, - -78088.01306952961, - 625.5037326813367 - ] - }, - { - "identifier": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "formula": "C3H8S", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "DIPPR107": [ - 51784.369161772236, - 210523.37044628564, - 544.9619425430967, - -137428.40239325794, - 643.1284949166842 - ] - }, - { - "identifier": { - "cas": "107-05-1", - "name": "allyl chloride", - "iupac_name": "3-chloroprop-1-ene", - "formula": "C3H5Cl", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "DIPPR107": [ - 41291.38822899887, - 139134.8840099668, - 513.7988768467774, - -73328.72724501448, - 569.7648175868397 - ] - }, - { - "identifier": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "formula": "C2H4Cl2", - "smiles": "C(CCl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "DIPPR107": [ - 43440.585896648314, - 124396.9323539156, - 475.5278520477553, - -76783.84595818614, - 608.5647579521266 - ] - }, - { - "identifier": { - "cas": "107-08-4", - "name": "1-iodopropane", - "iupac_name": "1-iodopropane", - "formula": "C3H7I", - "smiles": "CCCI", - "inchi": "InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3" - }, - "DIPPR107": [ - 52986.29995454992, - 170254.3033253959, - 482.969775603316, - -122393.20464149932, - 525.5204449699517 - ] - }, - { - "identifier": { - "cas": "107-10-8", - "name": "propylamine", - "iupac_name": "propan-1-amine", - "formula": "C3H9N", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "DIPPR107": [ - 40481.30882259941, - 218703.45751209056, - 378.5599134300368, - -207043.38299523093, - 463.60775199136685 - ] - }, - { - "identifier": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "formula": "C3H5N", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "DIPPR107": [ - 45737.69627983413, - 196145.01165307438, - 746.0478865017993, - -143258.14225046465, - 1008.6314946899035 - ] - }, - { - "identifier": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "formula": "C3H3N", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "DIPPR107": [ - 41173.93019304073, - 113048.55552469764, - 582.7336928685553, - -64978.685437400665, - 699.9900389473147 - ] - }, - { - "identifier": { - "cas": "107-21-1", - "name": "ethylene glycol", - "iupac_name": "ethane-1,2-diol", - "formula": "C2H6O2", - "smiles": "C(CO)O", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "DIPPR107": [ - 43834.680144365244, - 156410.29192835165, - 399.2693504929374, - -127388.9891126924, - 464.85615099308586 - ] - }, - { - "identifier": { - "cas": "107-22-2", - "name": "glyoxal", - "iupac_name": "oxaldehyde", - "formula": "C2H2O2", - "smiles": "C(=O)C=O", - "inchi": "InChI=1S/C2H2O2/c3-1-2-4/h1-2H" - }, - "DIPPR107": [ - 37094.51561759379, - 87995.09511186974, - 348.68474796522446, - -79929.63789671242, - 420.9187441900222 - ] - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "formula": "C2H4O2", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "DIPPR107": [ - 44034.88806754174, - 121552.40471909451, - 477.1932937685358, - -104540.8695232929, - 542.9075920422252 - ] - }, - { - "identifier": { - "cas": "107-46-0", - "name": "hexamethyldisiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "formula": "C6H18OSi2", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "DIPPR107": [ - 122000.78321474144, - 478988.593298091, - 546.782318349588, - -292120.1467257482, - 708.1098663819764 - ] - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "formula": "C6H14", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "DIPPR107": [ - 65258.703097038975, - 348135.40658768103, - 527.8110123977085, - -204311.77559237523, - 607.1342204952176 - ] - }, - { - "identifier": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "formula": "C5H10O", - "smiles": "CCCC(=O)C", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "DIPPR107": [ - 59574.97105950113, - 290429.8525626644, - 576.9872009485134, - -168046.63822563182, - 701.4712855761322 - ] - }, - { - "identifier": { - "cas": "1070-71-9", - "name": "cyanoacetylene", - "iupac_name": "prop-2-ynenitrile", - "formula": "C3HN", - "smiles": "C#CC#N", - "inchi": "InChI=1S/C3HN/c1-2-3-4/h1H" - }, - "DIPPR107": [ - 42449.369446694815, - 68983.55242136582, - 531.6700313093132, - -32185.842436231425, - 805.3726926458867 - ] - }, - { - "identifier": { - "cas": "1070-74-2", - "name": "acetylene-d2", - "iupac_name": "1,2-dideuterioethyne", - "formula": "C2H2", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H/i1D,2D" - }, - "DIPPR107": [ - 29764.675511996054, - 56693.44825141801, - 1258.096578346197, - 47432.6539357721, - 453.8616893540985 - ] - }, - { - "identifier": { - "cas": "1070-87-7", - "name": "2,2,4,4-tetramethylpentane", - "iupac_name": "2,2,4,4-tetramethylpentane", - "formula": "C9H20", - "smiles": "CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3" - }, - "DIPPR107": [ - 93981.68456644993, - 508982.7552313185, - 448.19682175419416, - -365152.7704743286, - 509.02671733343817 - ] - }, - { - "identifier": { - "cas": "1071-98-3", - "name": "2-butynedinitrile", - "iupac_name": "but-2-ynedinitrile", - "formula": "C4N2", - "smiles": "C(#CC#N)C#N", - "inchi": "InChI=1S/C4N2/c5-3-1-2-4-6" - }, - "DIPPR107": [ - 69950.99360775117, - 68902.73648978476, - 694.7694202927536, - -22714.768783273237, - 1013.2564227505022 - ] - }, - { - "identifier": { - "cas": "1072-85-1", - "name": "1-bromo-2-fluorobenzene", - "iupac_name": "1-bromo-2-fluorobenzene", - "formula": "C6H4BrF", - "smiles": "C1=CC=C(C(=C1)F)Br", - "inchi": "InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "DIPPR107": [ - 46975.51740206034, - 216922.08873899787, - 441.7632017000083, - -119265.03621222344, - 507.89612689644827 - ] - }, - { - "identifier": { - "cas": "1073-06-9", - "name": "1-bromo-3-fluorobenzene", - "iupac_name": "1-bromo-3-fluorobenzene", - "formula": "C6H4BrF", - "smiles": "C1=CC(=CC(=C1)Br)F", - "inchi": "InChI=1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "DIPPR107": [ - 48113.23154939837, - 214350.20681925092, - 428.1793673413426, - -123939.53225247917, - 488.0022783387627 - ] - }, - { - "identifier": { - "cas": "1073-67-2", - "name": "4-chlorostyrene", - "iupac_name": "1-chloro-4-ethenylbenzene", - "formula": "C8H7Cl", - "smiles": "C=CC1=CC=C(C=C1)Cl", - "inchi": "InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2" - }, - "DIPPR107": [ - 59392.73828817604, - 296129.0036429059, - 460.6944546358897, - -177016.9761593246, - 537.0815856219996 - ] - }, - { - "identifier": { - "cas": "1076-43-3", - "name": "benzene-d6", - "iupac_name": "1,2,3,4,5,6-hexadeuteriobenzene", - "formula": "C6H6", - "smiles": "C1=CC=CC=C1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D" - }, - "DIPPR107": [ - 36180.35211604219, - 244482.04082667592, - 516.0528825065644, - -118210.5377039709, - 603.5965816959306 - ] - }, - { - "identifier": { - "cas": "1077-16-3", - "name": "hexylbenzene", - "iupac_name": "hexylbenzene", - "formula": "C12H18", - "smiles": "CCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3" - }, - "DIPPR107": [ - 70066.88125653226, - 606215.5671829038, - 536.041800494823, - -332609.7399856044, - 675.660898144431 - ] - }, - { - "identifier": { - "cas": "1078-71-3", - "name": "heptylbenzene", - "iupac_name": "heptylbenzene", - "formula": "C13H20", - "smiles": "CCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3" - }, - "DIPPR107": [ - 78192.85753729087, - 665051.207169377, - 532.6169847780911, - -369251.013811955, - 672.1115273886859 - ] - }, - { - "identifier": { - "cas": "1079-71-6", - "name": "1,2,3,4,5,6,7,8-octahydroanthracene", - "iupac_name": "1,2,3,4,5,6,7,8-octahydroanthracene", - "formula": "C14H18", - "smiles": "C1CCC2=CC3=C(CCCC3)C=C2C1", - "inchi": "InChI=1S/C14H18/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h9-10H,1-8H2" - }, - "DIPPR107": [ - 80659.28137236854, - 628003.375455604, - 486.656041865201, - -435189.8294522826, - 537.4283888838364 - ] - }, - { - "identifier": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "formula": "C4H6O2", - "smiles": "CC(=O)OC=C", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "DIPPR107": [ - 52140.46253034466, - 209221.82487480002, - 495.1330124490767, - -139929.16097048682, - 574.1292972934914 - ] - }, - { - "identifier": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "formula": "C6H12O", - "smiles": "CC(C)CC(=O)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "DIPPR107": [ - 68437.97514084529, - 325730.06760231766, - 438.3678373294893, - -234118.17800025738, - 538.4817980240683 - ] - }, - { - "identifier": { - "cas": "108-19-0", - "name": "biuret", - "iupac_name": "carbamoylurea", - "formula": "C2H5N3O2", - "smiles": "C(=O)(N)NC(=O)N", - "inchi": "InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)" - }, - "DIPPR107": [ - 18334.02281960611, - 227273.74258385508, - 264.82997936282726, - -176053.07286581674, - 424.016228015659 - ] - }, - { - "identifier": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "formula": "C6H14O", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "DIPPR107": [ - 75972.14756742051, - 361468.33030513173, - 436.9772733090483, - -282870.96203844773, - 514.886862952994 - ] - }, - { - "identifier": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "formula": "C4H2O3", - "smiles": "C1=CC(=O)OC1=O", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "DIPPR107": [ - 40077.07731800541, - 158013.41632038873, - 433.1703398858002, - -91209.73043861357, - 515.1284416493761 - ] - }, - { - "identifier": { - "cas": "108-36-1", - "name": "1,3-dibromobenzene", - "iupac_name": "1,3-dibromobenzene", - "formula": "C6H4Br2", - "smiles": "C1=CC(=CC(=C1)Br)Br", - "inchi": "InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "DIPPR107": [ - 53474.32860980672, - 208774.6508701474, - 417.6740513221442, - -126294.1404203992, - 477.2953239892408 - ] - }, - { - "identifier": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "formula": "C8H10", - "smiles": "CC1=CC(=CC=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "DIPPR107": [ - 47003.96005876742, - 349822.7719988209, - 448.7446353057339, - -272892.2181177621, - 530.8666765668812 - ] - }, - { - "identifier": { - "cas": "108-39-4", - "name": "m-cresol", - "iupac_name": "3-methylphenol", - "formula": "C7H8O", - "smiles": "CC1=CC(=CC=C1)O", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "DIPPR107": [ - 39961.34163676069, - 294666.641140555, - 365.57131996607, - -240768.78324994846, - 432.3979232609261 - ] - }, - { - "identifier": { - "cas": "108-42-9", - "name": "3-chloroaniline", - "iupac_name": "3-chloroaniline", - "formula": "C6H6ClN", - "smiles": "C1=CC(=CC(=C1)Cl)N", - "inchi": "InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2" - }, - "DIPPR107": [ - 45470.79904608179, - 265951.1746366249, - 502.4177474148682, - -121043.87406071906, - 609.5211679255203 - ] - }, - { - "identifier": { - "cas": "108-44-1", - "name": "m-toluidine", - "iupac_name": "3-methylaniline", - "formula": "C7H9N", - "smiles": "CC1=CC(=CC=C1)N", - "inchi": "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" - }, - "DIPPR107": [ - 41502.08686126929, - 320933.02935605095, - 417.7793238857397, - -234854.0415622136, - 491.7636807130476 - ] - }, - { - "identifier": { - "cas": "108-46-3", - "name": "resorcinol", - "iupac_name": "benzene-1,3-diol", - "formula": "C6H6O2", - "smiles": "C1=CC(=CC(=C1)O)O", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "DIPPR107": [ - 35061.53390098423, - 256353.78380762337, - 323.70895211645944, - -203863.95198945698, - 379.723780679089 - ] - }, - { - "identifier": { - "cas": "108-47-4", - "name": "2,4-lutidine", - "iupac_name": "2,4-dimethylpyridine", - "formula": "C7H9N", - "smiles": "CC1=CC(=NC=C1)C", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "DIPPR107": [ - 45628.01647094468, - 322414.4247059553, - 516.158625614313, - -185504.48369603313, - 590.3363354288912 - ] - }, - { - "identifier": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "formula": "C7H9N", - "smiles": "CC1=NC(=CC=C1)C", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "DIPPR107": [ - 45628.01647094468, - 321825.21152532427, - 514.1441859377439, - -183028.2756523158, - 588.7358395634262 - ] - }, - { - "identifier": { - "cas": "108-67-8", - "name": "mesitylene", - "iupac_name": "1,3,5-trimethylbenzene", - "formula": "C9H12", - "smiles": "CC1=CC(=CC(=C1)C)C", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "DIPPR107": [ - 51393.51610964036, - 409900.11083499074, - 468.9952570740604, - -293662.7257178639, - 561.1197688927585 - ] - }, - { - "identifier": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "formula": "C8H10O", - "smiles": "CC1=CC(=CC(=C1)O)C", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "DIPPR107": [ - 44803.0623136463, - 355891.5068862624, - 330.0455052210797, - -316698.04697272007, - 402.9859252440558 - ] - }, - { - "identifier": { - "cas": "108-70-3", - "name": "1,3,5-trichlorobenzene", - "iupac_name": "1,3,5-trichlorobenzene", - "formula": "C6H3Cl3", - "smiles": "C1=C(C=C(C=C1Cl)Cl)Cl", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H" - }, - "DIPPR107": [ - 55718.54053887348, - 210817.80232270074, - 395.6737583241515, - -119595.34129947527, - 462.2172824451705 - ] - }, - { - "identifier": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "formula": "C8H11N", - "smiles": "CC1=CC(=NC(=C1)C)C", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "DIPPR107": [ - 51968.255632983375, - 379216.5856259968, - 501.7451849684314, - -230099.9429877644, - 583.5068183040438 - ] - }, - { - "identifier": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "formula": "C6H5Br", - "smiles": "C1=CC=C(C=C1)Br", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "DIPPR107": [ - 43308.15854463714, - 219860.5669156964, - 447.3057526627702, - -142897.43386949957, - 497.18807641315686 - ] - }, - { - "identifier": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "formula": "C7H14", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "DIPPR107": [ - 53362.996835472186, - 437969.2723586588, - 592.5835000669742, - -239994.16962769462, - 667.4203303708749 - ] - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "formula": "C7H8", - "smiles": "CC1=CC=CC=C1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "DIPPR107": [ - 40660.37533391278, - 293608.7000838736, - 485.5187236525412, - -203961.76625109202, - 553.378411869959 - ] - }, - { - "identifier": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "formula": "C6H7N", - "smiles": "CC1=CC=NC=C1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "DIPPR107": [ - 39849.467186324, - 257932.56795785844, - 421.2784294008407, - -202195.63727222342, - 474.0224188356645 - ] - }, - { - "identifier": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "formula": "C6H5Cl", - "smiles": "C1=CC=C(C=C1)Cl", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "DIPPR107": [ - 40216.17284403782, - 216199.17868347626, - 430.6324726587536, - -141622.60056218048, - 476.1112347471103 - ] - }, - { - "identifier": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "formula": "C6H12O", - "smiles": "C1CCC(CC1)O", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "DIPPR107": [ - 41498.936920548505, - 377920.4063900252, - 454.2821671948283, - -281001.55426029506, - 532.9802437730688 - ] - }, - { - "identifier": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "formula": "C6H10O", - "smiles": "C1CCC(=O)CC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "DIPPR107": [ - 41997.17739046937, - 350350.87322852557, - 598.051415277418, - -166667.58360480642, - 714.219508887671 - ] - }, - { - "identifier": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "formula": "C6H6O", - "smiles": "C1=CC=C(C=C1)O", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "DIPPR107": [ - 36960.129703876395, - 251835.77075949445, - 446.6735027815261, - -171304.86155359322, - 527.6388592306458 - ] - }, - { - "identifier": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "formula": "C6H7N", - "smiles": "CC1=CN=CC=C1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "DIPPR107": [ - 39627.48629885611, - 260003.30512553503, - 415.6569976169192, - -209878.2405057283, - 469.78063247766414 - ] - }, - { - "identifier": { - "cas": "1081-77-2", - "name": "nonylbenzene", - "iupac_name": "nonylbenzene", - "formula": "C15H24", - "smiles": "CCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3" - }, - "DIPPR107": [ - 94444.81009880804, - 783755.4029473395, - 530.824257713571, - -438679.0768347663, - 673.0548834224211 - ] - }, - { - "identifier": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "formula": "C6H7N", - "smiles": "CC1=CC=CC=N1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "DIPPR107": [ - 41825.95710591986, - 266215.90774170606, - 456.4472617534417, - -198658.51423597016, - 513.3544483072553 - ] - }, - { - "identifier": { - "cas": "109-08-0", - "name": "2-methylpyrazine", - "iupac_name": "2-methylpyrazine", - "formula": "C5H6N2", - "smiles": "CC1=NC=CN=C1", - "inchi": "InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3" - }, - "DIPPR107": [ - 39862.516832249006, - 244487.39496968014, - 415.3149209764779, - -189969.1295679213, - 485.0465164014014 - ] - }, - { - "identifier": { - "cas": "109-65-9", - "name": "1-bromobutane", - "iupac_name": "1-bromobutane", - "formula": "C4H9Br", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "DIPPR107": [ - 55301.399100152106, - 236008.12655754178, - 530.2964916772652, - -137221.08398886808, - 620.6729620159299 - ] - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "formula": "C5H12", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "DIPPR107": [ - 56395.69901569481, - 304070.61146489123, - 517.0079555516268, - -207067.39194004118, - 600.2256949607859 - ] - }, - { - "identifier": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "formula": "C5H10", - "smiles": "CCCC=C", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "DIPPR107": [ - 51831.9329289014, - 270523.1281929936, - 519.8256196026666, - -177672.24460440408, - 619.9861180285128 - ] - }, - { - "identifier": { - "cas": "109-69-3", - "name": "1-chlorobutane", - "iupac_name": "1-chlorobutane", - "formula": "C4H9Cl", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "DIPPR107": [ - 53981.13059655086, - 237109.2824298779, - 532.4549698242704, - -137586.77202167286, - 620.2539182990164 - ] - }, - { - "identifier": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "formula": "C4H11N", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "DIPPR107": [ - 46504.55944183637, - 261964.19181186112, - 290.6005420324888, - -285912.1881174323, - 393.253370098868 - ] - }, - { - "identifier": { - "cas": "109-77-3", - "name": "malononitrile", - "iupac_name": "propanedinitrile", - "formula": "C3H2N2", - "smiles": "C(C#N)C#N", - "inchi": "InChI=1S/C3H2N2/c4-2-1-3-5/h1H2" - }, - "DIPPR107": [ - 51331.64610549065, - 100691.00247256058, - 594.7536169849411, - -49636.91313050708, - 704.1648108999348 - ] - }, - { - "identifier": { - "cas": "109-79-5", - "name": "1-butanethiol", - "iupac_name": "butane-1-thiol", - "formula": "C4H10S", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "DIPPR107": [ - 59910.34544253083, - 275759.48551823164, - 539.2986140697021, - -180480.6270221152, - 644.6068746364263 - ] - }, - { - "identifier": { - "cas": "109-94-4", - "name": "ethyl formate", - "iupac_name": "ethyl formate", - "formula": "C3H6O2", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "DIPPR107": [ - 52662.51940228774, - 185230.65897524913, - 492.3654672596733, - -143148.58578601296, - 569.5553384293853 - ] - }, - { - "identifier": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "formula": "C4H5N", - "smiles": "C1=CNC=C1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "DIPPR107": [ - 33762.39305734125, - 189670.36201005636, - 571.7315229715268, - -96349.06770126516, - 623.322087554716 - ] - }, - { - "identifier": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "formula": "C4H8O", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "DIPPR107": [ - 40871.708929301654, - 244353.26919499369, - 607.2222275940096, - -139511.3841886882, - 629.7973080199507 - ] - }, - { - "identifier": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "formula": "C4H4O", - "smiles": "C1=COC=C1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "DIPPR107": [ - 33999.1395622966, - 166459.13820093358, - 649.6039976224367, - -58757.4198586389, - 752.5580730484841 - ] - }, - { - "identifier": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "formula": "C4H8S", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "DIPPR107": [ - 43511.90959515422, - 237390.6719324205, - 534.8833653129609, - -142338.81772855498, - 592.2644571022133 - ] - }, - { - "identifier": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "formula": "C4H4S", - "smiles": "C1=CSC=C1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "DIPPR107": [ - 33990.97105747884, - 161786.40731191862, - 550.7050934961757, - -67531.99781118965, - 602.2984898447344 - ] - }, - { - "identifier": { - "cas": "110-42-9", - "name": "methyl decanoate", - "iupac_name": "methyl decanoate", - "formula": "C11H22O2", - "smiles": "CCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3" - }, - "DIPPR107": [ - 118307.2454138487, - 623627.8124858962, - 464.67209914863565, - -444484.6866248274, - 552.004690916539 - ] - }, - { - "identifier": { - "cas": "110-53-2", - "name": "1-bromopentane", - "iupac_name": "1-bromopentane", - "formula": "C5H11Br", - "smiles": "CCCCCBr", - "inchi": "InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "DIPPR107": [ - 63427.375380910715, - 291645.2518368066, - 519.3393369238339, - -172270.8320607475, - 611.3516134092382 - ] - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "formula": "C6H14", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "DIPPR107": [ - 64521.6752964534, - 372733.9204856343, - 566.9191742912294, - -221828.15250650837, - 685.2117688994782 - ] - }, - { - "identifier": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "formula": "C5H10O", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "DIPPR107": [ - 60577.904552166605, - 275420.9174597166, - 525.2137629441662, - -164979.9518055709, - 625.87242082976 - ] - }, - { - "identifier": { - "cas": "110-66-7", - "name": "1-pentanethiol", - "iupac_name": "pentane-1-thiol", - "formula": "C5H12S", - "smiles": "CCCCCS", - "inchi": "InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "DIPPR107": [ - 68036.32172328944, - 323900.05934844725, - 520.7703401089624, - -207809.53099039375, - 620.9844433419804 - ] - }, - { - "identifier": { - "cas": "110-81-6", - "name": "diethyl disulfide", - "iupac_name": "(ethyldisulfanyl)ethane", - "formula": "C4H10S2", - "smiles": "CCSSCC", - "inchi": "InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "DIPPR107": [ - 60441.222595355226, - 275416.43068952125, - 475.5749372425336, - -160037.58487652132, - 607.9603443303315 - ] - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "formula": "C6H12", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "DIPPR107": [ - 42222.02409440065, - 368849.91219386697, - 540.8688949496236, - -244274.9081942543, - 585.5925748713252 - ] - }, - { - "identifier": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "formula": "C6H10", - "smiles": "C1CCC=CC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "DIPPR107": [ - 42858.657420174444, - 315114.81911604427, - 551.1401893786662, - -184295.12376176348, - 611.4262828842959 - ] - }, - { - "identifier": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "formula": "C5H5N", - "smiles": "C1=CC=NC=C1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "DIPPR107": [ - 34445.192099379514, - 208250.78536016453, - 526.8050511489668, - -115533.70276257845, - 567.7079827891785 - ] - }, - { - "identifier": { - "cas": "110-87-2", - "name": "3,4-dihydro-2h-pyran", - "iupac_name": "3,4-dihydro-2h-pyran", - "formula": "C5H8O", - "smiles": "C1CC=COC1", - "inchi": "InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2" - }, - "DIPPR107": [ - 41570.201949675095, - 270423.15393120056, - 526.86083331237, - -178095.14386187657, - 578.5461626177159 - ] - }, - { - "identifier": { - "cas": "110-88-3", - "name": "1,3,5-trioxane", - "iupac_name": "1,3,5-trioxane", - "formula": "C3H6O3", - "smiles": "C1OCOCO1", - "inchi": "InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2" - }, - "DIPPR107": [ - 38025.76531861739, - 227324.13872949313, - 503.1315330268161, - -156453.87232487672, - 551.4492616602237 - ] - }, - { - "identifier": { - "cas": "110-89-4", - "name": "piperidine", - "iupac_name": "piperidine", - "formula": "C5H11N", - "smiles": "C1CCNCC1", - "inchi": "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2" - }, - "DIPPR107": [ - 35586.37964851473, - 327216.3731207287, - 381.0077698970504, - -305537.70233133057, - 436.3035352286073 - ] - }, - { - "identifier": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "formula": "C8H16O", - "smiles": "CCCCCCC(=O)C", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3" - }, - "DIPPR107": [ - 83952.89990177694, - 439387.69553774444, - 463.03609994204754, - -312502.83434339555, - 551.1896898874685 - ] - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "formula": "C6H14O", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "DIPPR107": [ - 69793.24200610325, - 361328.8567846922, - 491.3464457542567, - -237452.59415278715, - 581.3136394371644 - ] - }, - { - "identifier": { - "cas": "111-31-9", - "name": "1-hexanethiol", - "iupac_name": "hexane-1-thiol", - "formula": "C6H14S", - "smiles": "CCCCCCS", - "inchi": "InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "DIPPR107": [ - 76162.29800404805, - 379574.9203139639, - 514.1295322596799, - -242602.00636926296, - 614.6305226864309 - ] - }, - { - "identifier": { - "cas": "111-43-3", - "name": "dipropyl ether", - "iupac_name": "1-propoxypropane", - "formula": "C6H14O", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "DIPPR107": [ - 74498.09196624935, - 364505.1901032565, - 438.8802998488106, - -286846.8318150865, - 533.5909975284164 - ] - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "formula": "C8H18", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "DIPPR107": [ - 80773.6278579706, - 480174.1825905548, - 502.4254232072821, - -322661.39388952137, - 607.4444780245801 - ] - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "formula": "C8H16", - "smiles": "CCCCCCC=C", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "DIPPR107": [ - 76209.8617711772, - 456192.4101430376, - 549.4606212842046, - -266771.36786882917, - 697.5989387153656 - ] - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "formula": "C7H16O", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "DIPPR107": [ - 77919.21828686185, - 415584.4161757721, - 487.3638574474292, - -271057.0782952677, - 577.0781617916159 - ] - }, - { - "identifier": { - "cas": "111-71-7", - "name": "heptanal", - "iupac_name": "heptanal", - "formula": "C7H14O", - "smiles": "CCCCCCC=O", - "inchi": "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3" - }, - "DIPPR107": [ - 76829.85711368379, - 390095.9494641674, - 523.2922568648302, - -230352.47415998048, - 629.4160549088249 - ] - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "formula": "C8H18O", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "DIPPR107": [ - 86045.19456762046, - 472303.3414652133, - 486.0844954700164, - -308360.89339106693, - 577.9840158904516 - ] - }, - { - "identifier": { - "cas": "111-88-6", - "name": "1-octanethiol", - "iupac_name": "octane-1-thiol", - "formula": "C8H18S", - "smiles": "CCCCCCCCS", - "inchi": "InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "DIPPR107": [ - 92414.25056556522, - 488748.09965215, - 501.6554857980177, - -310648.48186648946, - 597.0391833160992 - ] - }, - { - "identifier": { - "cas": "1111-88-2", - "name": "bromo(2h3)methane", - "iupac_name": "bromo(trideuterio)methane", - "formula": "CH3Br", - "smiles": "CBr", - "inchi": "InChI=1S/CH3Br/c1-2/h1H3/i1D3" - }, - "DIPPR107": [ - 33604.70939194326, - 73190.3779523699, - 590.1544593223956, - -34603.98178615591, - 680.4231068621339 - ] - }, - { - "identifier": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "formula": "C10H22O", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "DIPPR107": [ - 102297.14712913767, - 583332.304281822, - 483.0050587247073, - -379123.3530125124, - 576.0891494437626 - ] - }, - { - "identifier": { - "cas": "112-31-2", - "name": "decanal", - "iupac_name": "decanal", - "formula": "C10H20O", - "smiles": "CCCCCCCCCC=O", - "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3" - }, - "DIPPR107": [ - 101207.78595595958, - 560886.0328779669, - 519.1486297034842, - -329340.3629775451, - 627.5349864857955 - ] - }, - { - "identifier": { - "cas": "112-41-4", - "name": "1-dodecene", - "iupac_name": "dodec-1-ene", - "formula": "C12H24", - "smiles": "CCCCCCCCCCC=C", - "inchi": "InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3" - }, - "DIPPR107": [ - 108713.76689421159, - 692694.7820064808, - 537.1074328816662, - -407289.6552147495, - 686.3156397789579 - ] - }, - { - "identifier": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "formula": "C11H24O", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3" - }, - "DIPPR107": [ - 110423.12340989624, - 642638.917206124, - 491.16339245212026, - -407678.04488627985, - 587.8872610848132 - ] - }, - { - "identifier": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "formula": "C12H26O", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "DIPPR107": [ - 118549.09969065484, - 698476.9098622426, - 490.2118333128285, - -442441.4374137896, - 587.319081908728 - ] - }, - { - "identifier": { - "cas": "112-88-9", - "name": "1-octadecene", - "iupac_name": "octadec-1-ene", - "formula": "C18H36", - "smiles": "CCCCCCCCCCCCCCCCC=C", - "inchi": "InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3" - }, - "DIPPR107": [ - 157469.62457876318, - 1047897.720470892, - 529.722800842323, - -618159.6135145905, - 680.3473923919141 - ] - }, - { - "identifier": { - "cas": "1120-36-1", - "name": "1-tetradecene", - "iupac_name": "tetradec-1-ene", - "formula": "C14H28", - "smiles": "CCCCCCCCCCCCC=C", - "inchi": "InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3" - }, - "DIPPR107": [ - 124965.71945572877, - 811875.8820801724, - 535.1326639724211, - -477222.2589150345, - 686.1133106061268 - ] - }, - { - "identifier": { - "cas": "1120-53-2", - "name": "cyclobutadiene", - "iupac_name": "cyclobutadiene", - "formula": "C4H4", - "smiles": "C1=CC=C1", - "inchi": "InChI=1S/C4H4/c1-2-4-3-1/h1-4H" - }, - "DIPPR107": [ - 33609.92909544068, - 140483.2003261655, - 602.3859423021454, - -63187.160901356496, - 668.7357075000622 - ] - }, - { - "identifier": { - "cas": "1120-56-5", - "name": "methylenecyclobutane", - "iupac_name": "methylidenecyclobutane", - "formula": "C5H8", - "smiles": "C=C1CCC1", - "inchi": "InChI=1S/C5H8/c1-5-3-2-4-5/h1-4H2" - }, - "DIPPR107": [ - 45128.632277319026, - 243878.28421803293, - 644.9366375369392, - -106223.82426638054, - 716.8625816548404 - ] - }, - { - "identifier": { - "cas": "1120-57-6", - "name": "chlorocyclobutane", - "iupac_name": "chlorocyclobutane", - "formula": "C4H7Cl", - "smiles": "C1CC(C1)Cl", - "inchi": "InChI=1S/C4H7Cl/c5-4-2-1-3-4/h4H,1-3H2" - }, - "DIPPR107": [ - 44860.17556109103, - 213620.36227186225, - 666.8254806008903, - -81603.0894837692, - 737.0969571322462 - ] - }, - { - "identifier": { - "cas": "1120-59-8", - "name": "2,3-dihydrothiophene", - "iupac_name": "2,3-dihydrothiophene", - "formula": "C4H6S", - "smiles": "C1CSC=C1", - "inchi": "InChI=1S/C4H6S/c1-2-4-5-3-1/h1,3H,2,4H2" - }, - "DIPPR107": [ - 40434.84222104546, - 199946.1467506941, - 548.676976033961, - -114347.79175698514, - 601.4646689105231 - ] - }, - { - "identifier": { - "cas": "1120-62-3", - "name": "3-methylcyclopentene", - "iupac_name": "3-methylcyclopentene", - "formula": "C6H10", - "smiles": "CC1CCC=C1", - "inchi": "InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3" - }, - "DIPPR107": [ - 49951.7060606715, - 312301.17223819817, - 659.1088805816165, - -150211.72491317376, - 743.115052720556 - ] - }, - { - "identifier": { - "cas": "1122-91-4", - "name": "4-bromobenzaldehyde", - "iupac_name": "4-bromobenzaldehyde", - "formula": "C7H5BrO", - "smiles": "C1=CC(=CC=C1C=O)Br", - "inchi": "InChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H" - }, - "DIPPR107": [ - 60541.326051642194, - 252455.34005251765, - 451.9269465346144, - -155539.74859403924, - 530.1528866088689 - ] - }, - { - "identifier": { - "cas": "1127-76-0", - "name": "1-ethylnaphthalene", - "iupac_name": "1-ethylnaphthalene", - "formula": "C12H12", - "smiles": "CCC1=CC=CC2=CC=CC=C21", - "inchi": "InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3" - }, - "DIPPR107": [ - 43204.18436323548, - 510395.9975118793, - 527.2962578313559, - -249628.52496339445, - 663.5716361740177 - ] - }, - { - "identifier": { - "cas": "113-00-8", - "name": "guanidine", - "iupac_name": "guanidine", - "formula": "CH5N3", - "smiles": "C(=N)(N)N", - "inchi": "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)" - }, - "DIPPR107": [ - 31492.557860897472, - 164195.90371115046, - 521.8208580581891, - -85177.31817651396, - 720.7285813935803 - ] - }, - { - "identifier": { - "cas": "1134-62-9", - "name": "1134-62-9", - "iupac_name": "2-butylnaphthalene", - "formula": "C14H16", - "smiles": "CCCCC1=CC2=CC=CC=C2C=C1", - "inchi": "InChI=1S/C14H16/c1-2-3-6-12-9-10-13-7-4-5-8-14(13)11-12/h4-5,7-11H,2-3,6H2,1H3" - }, - "DIPPR107": [ - 59456.13692475267, - 629194.240068363, - 524.2563462680042, - -327774.1645322107, - 663.2354225654063 - ] - }, - { - "identifier": { - "cas": "1146-65-2", - "name": "naphthalene-d8", - "iupac_name": "1,2,3,4,5,6,7,8-octadeuterionaphthalene", - "formula": "C10H8", - "smiles": "C1=CC=C2C=CC=CC2=C1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D" - }, - "DIPPR107": [ - 37025.883213392975, - 366627.7700056058, - 341.3679514065832, - -287506.21360920655, - 384.0786118156542 - ] - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "formula": "C3H6", - "smiles": "CC=C", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "DIPPR107": [ - 36577.83515636789, - 143915.69860171888, - 449.8372332316774, - -121669.77747851303, - 515.1533280803434 - ] - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "formula": "C2H6O", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "DIPPR107": [ - 43537.202945642224, - 140085.19094230075, - 554.8839334841471, - -107501.81990110742, - 637.3698091032293 - ] - }, - { - "identifier": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "formula": "C4H8", - "smiles": "CC(=C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "DIPPR107": [ - 45637.06597909836, - 211344.9858788775, - 541.0017949353002, - -141696.26768627562, - 644.3781123974625 - ] - }, - { - "identifier": { - "cas": "115-17-3", - "name": "tribromoacetaldehyde", - "iupac_name": "2,2,2-tribromoacetaldehyde", - "formula": "C2HBr3O", - "smiles": "C(=O)C(Br)(Br)Br", - "inchi": "InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H" - }, - "DIPPR107": [ - 61444.68898934472, - 87858.77728405948, - 330.22873476346103, - -43088.51381926886, - 417.3993908701729 - ] - }, - { - "identifier": { - "cas": "115-21-9", - "name": "ethyltrichlorosilane", - "iupac_name": "trichloro(ethyl)silane", - "formula": "C2H5Cl3Si", - "smiles": "CC[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3" - }, - "DIPPR107": [ - 72708.77698756296, - 169621.9303338677, - 511.7513082552108, - -87845.14418317661, - 701.2052762462616 - ] - }, - { - "identifier": { - "cas": "115-25-3", - "name": "octafluorocyclobutane", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "formula": "C4F8", - "smiles": "C1(C(C(C1(F)F)(F)F)(F)F)(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "DIPPR107": [ - 58921.132989224345, - 220809.89369717462, - 301.62814157278774, - -143543.87611905593, - 419.3152538879301 - ] - }, - { - "identifier": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "formula": "C2F4", - "smiles": "C(=C(F)F)(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "DIPPR107": [ - 42101.03962346095, - 90404.53723875972, - 377.8150106816361, - -41098.830557646994, - 476.9668808165032 - ] - }, - { - "identifier": { - "cas": "118-74-1", - "name": "hexachlorobenzene", - "iupac_name": "1,2,3,4,5,6-hexachlorobenzene", - "formula": "C6Cl6", - "smiles": "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl", - "inchi": "InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "DIPPR107": [ - 82425.90366598051, - 199237.14692698055, - 341.3945830865352, - -90170.49515669784, - 419.8475351642673 - ] - }, - { - "identifier": { - "cas": "1184-60-7", - "name": "2-fluoropropene", - "iupac_name": "2-fluoroprop-1-ene", - "formula": "C3H5F", - "smiles": "CC(=C)F", - "inchi": "InChI=1S/C3H5F/c1-3(2)4/h1H2,2H3" - }, - "DIPPR107": [ - 39431.934810753664, - 149322.8092999325, - 538.9326539312026, - -80729.22766202768, - 659.404682326389 - ] - }, - { - "identifier": { - "cas": "1184-76-5", - "name": "diiododifluoromethane", - "iupac_name": "difluoro(diiodo)methane", - "formula": "CF2I2", - "smiles": "C(F)(F)(I)I", - "inchi": "InChI=1S/CF2I2/c2-1(3,4)5" - }, - "DIPPR107": [ - 37436.10658033415, - 70110.82472077307, - 213.2912793558917, - -39491.401856620825, - 291.962404852888 - ] - }, - { - "identifier": { - "cas": "1186-53-4", - "name": "2,2,3,4-tetramethylpentane", - "iupac_name": "2,2,3,4-tetramethylpentane", - "formula": "C9H20", - "smiles": "CC(C)C(C)C(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3" - }, - "DIPPR107": [ - 92914.6999537607, - 509795.85144963337, - 453.7716912990362, - -370628.087409581, - 507.2309592045031 - ] - }, - { - "identifier": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "formula": "C10H12", - "smiles": "C1CCC2=CC=CC=C2C1", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "DIPPR107": [ - 56516.039997946405, - 443102.5995424328, - 511.85007682532034, - -287941.83838532947, - 571.9082662381484 - ] - }, - { - "identifier": { - "cas": "119-65-3", - "name": "isoquinoline", - "iupac_name": "isoquinoline", - "formula": "C9H7N", - "smiles": "C1=CC=C2C=NC=CC2=C1", - "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" - }, - "DIPPR107": [ - 37336.785425324466, - 332189.5826970562, - 368.85612022027857, - -272603.78846345516, - 419.2696116380352 - ] - }, - { - "identifier": { - "cas": "1190-76-7", - "name": "crotononitrile, (z)-", - "iupac_name": "(z)-but-2-enenitrile", - "formula": "C4H5N", - "smiles": "CC=CC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-" - }, - "DIPPR107": [ - 52401.34289906797, - 161543.8160883513, - 578.612842536788, - -92993.31961631526, - 665.9373814555727 - ] - }, - { - "identifier": { - "cas": "1191-95-3", - "name": "cyclobutanone", - "iupac_name": "cyclobutanone", - "formula": "C4H6O", - "smiles": "C1CC(=O)C1", - "inchi": "InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2" - }, - "DIPPR107": [ - 36446.98956587412, - 188218.23246499815, - 576.8516567712215, - -80478.25539178304, - 673.7048184063223 - ] - }, - { - "identifier": { - "cas": "1191-99-7", - "name": "2,3-dihydrofuran", - "iupac_name": "2,3-dihydrofuran", - "formula": "C4H6O", - "smiles": "C1COC=C1", - "inchi": "InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2" - }, - "DIPPR107": [ - 38967.827185448594, - 202858.6051084699, - 586.7297204311625, - -109668.49939793847, - 628.4197760529706 - ] - }, - { - "identifier": { - "cas": "1192-01-4", - "name": "2-bromocyclobutan-1-one", - "iupac_name": "2-bromocyclobutan-1-one", - "formula": "C4H5BrO", - "smiles": "C1CC(=O)C1Br", - "inchi": "InChI=1S/C4H5BrO/c5-3-1-2-4(3)6/h3H,1-2H2" - }, - "DIPPR107": [ - 48167.569419591826, - 186943.27850481577, - 585.905948085482, - -79644.96632881288, - 645.8488833725836 - ] - }, - { - "identifier": { - "cas": "1192-18-3", - "name": "cis-1,2-dimethylcyclopentane", - "iupac_name": "cis-(1s,2r)-1,2-dimethylcyclopentane", - "formula": "C7H14", - "smiles": "CC1CCCC1C", - "inchi": "InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+" - }, - "DIPPR107": [ - 62690.17338380742, - 419447.3997969818, - 647.5928722580375, - -205853.75858279373, - 745.949251211083 - ] - }, - { - "identifier": { - "cas": "1196-01-6", - "name": "(-)-verbenone", - "iupac_name": "(1s,5s)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one", - "formula": "C10H14O", - "smiles": "CC1=CC(=O)C2CC1C2(C)C", - "inchi": "InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1" - }, - "DIPPR107": [ - 71049.8408532961, - 445738.4101053754, - 401.5371463052478, - -329773.58628040086, - 464.8388152290387 - ] - }, - { - "identifier": { - "cas": "1198-57-8", - "name": "1,2,4,5-tetrachlorobenzene-d2", - "iupac_name": "1,2,4,5-tetrachloro-3,6-dideuteriobenzene", - "formula": "C6H2Cl4", - "smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)Cl", - "inchi": "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H/i1D,2D" - }, - "DIPPR107": [ - 66606.7010595209, - 210657.06623210444, - 385.4423885278324, - -100531.74123418548, - 465.3921561704485 - ] - }, - { - "identifier": { - "cas": "1198-60-3", - "name": "1,3,5-trichlorobenzene-d3", - "iupac_name": "1,3,5-trichloro-2,4,6-trideuteriobenzene", - "formula": "C6H3Cl3", - "smiles": "C1=C(C=C(C=C1Cl)Cl)Cl", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H/i1D,2D,3D" - }, - "DIPPR107": [ - 57130.26886798305, - 217993.26059103766, - 400.5267902447778, - -108047.2411115226, - 478.1769319225877 - ] - }, - { - "identifier": { - "cas": "120-12-7", - "name": "anthracene", - "iupac_name": "anthracene", - "formula": "C14H10", - "smiles": "C1=CC=C2C=C3C=CC=CC3=CC2=C1", - "inchi": "InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H" - }, - "DIPPR107": [ - 43630.951580989306, - 482719.9170640624, - 336.207685746054, - -429242.1771918424, - 395.10357375849526 - ] - }, - { - "identifier": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "formula": "C8H7N", - "smiles": "C1=CC=C2C(=C1)C=CN2", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "DIPPR107": [ - 35350.26300671273, - 309259.5937739448, - 370.6767170230346, - -249167.69633644243, - 415.9272504177852 - ] - }, - { - "identifier": { - "cas": "120-80-9", - "name": "catechol", - "iupac_name": "benzene-1,2-diol", - "formula": "C6H6O2", - "smiles": "C1=CC=C(C(=C1)O)O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "DIPPR107": [ - 34923.441538715444, - 263079.7787295005, - 341.7546961652435, - -207573.34802366205, - 397.201188528892 - ] - }, - { - "identifier": { - "cas": "120-82-1", - "name": "1,2,4-trichlorobenzene", - "iupac_name": "1,2,4-trichlorobenzene", - "formula": "C6H3Cl3", - "smiles": "C1=CC(=C(C=C1Cl)Cl)Cl", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H" - }, - "DIPPR107": [ - 55590.500689391185, - 211385.7694578894, - 398.9111765953826, - -118334.51016024833, - 467.9321113867012 - ] - }, - { - "identifier": { - "cas": "120-83-2", - "name": "2,4-dichlorophenol", - "iupac_name": "2,4-dichlorophenol", - "formula": "C6H4Cl2O", - "smiles": "C1=CC(=C(C=C1Cl)Cl)O", - "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" - }, - "DIPPR107": [ - 50334.144122841535, - 248472.62252710486, - 490.75059883790055, - -99907.93655973305, - 642.0878627959422 - ] - }, - { - "identifier": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "formula": "C5H8O", - "smiles": "C1CCC(=O)C1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "DIPPR107": [ - 38509.02939501836, - 291774.78024292976, - 649.4795421159434, - -140199.69903250036, - 783.5586869960898 - ] - }, - { - "identifier": { - "cas": "12015-53-1", - "name": "chlorine heptoxide", - "iupac_name": "perchloryl perchlorate", - "formula": "Cl2O7", - "smiles": "O=Cl(=O)(=O)OCl(=O)(=O)=O", - "inchi": "InChI=1S/Cl2O7/c3-1(4,5)9-2(6,7)8" - }, - "DIPPR107": [ - 67576.66247560768, - 140212.54034684532, - 838.211964547577, - 94700.41900285022, - 401.24826823762726 - ] - }, - { - "identifier": { - "cas": "12033-49-7", - "name": "nitrate radical", - "iupac_name": "nitric acid", - "formula": "NO3", - "smiles": "[N+](=O)(O)[O-]", - "inchi": "InChI=1S/NO3/c2-1(3)4" - }, - "DIPPR107": [ - 33265.48490025631, - 49869.203548353835, - 1009.0829314804712, - 33094.3214572503, - 540.4489769237051 - ] - }, - { - "identifier": { - "cas": "12070-28-9", - "name": "beryllium carbide", - "iupac_name": "beryllium acetylide", - "formula": "C2Be", - "smiles": "[Be]1C#C1", - "inchi": "InChI=1S/C2.Be/c1-2;" - }, - "DIPPR107": [ - 29770.842664574735, - 32187.293591379403, - 1028.083667344082, - 22787.79511522448, - 366.8844191106588 - ] - }, - { - "identifier": { - "cas": "12071-15-7", - "name": "lanthanum carbide", - "iupac_name": "lanthanum dicarbide", - "formula": "C2La-", - "smiles": "[C-]#[C].[La]", - "inchi": "InChI=1S/C2.La/c1-2;/q-1;" - }, - "DIPPR107": [ - 29935.503752007437, - 32147.55036508062, - 893.986907283152, - 29033.674805766666, - 364.562678255903 - ] - }, - { - "identifier": { - "cas": "121-46-0", - "name": "2,5-norbornadiene", - "iupac_name": "bicyclo[2.2.1]hepta-2,5-diene", - "formula": "C7H8", - "smiles": "C1C2C=CC1C=C2", - "inchi": "InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2" - }, - "DIPPR107": [ - 39051.099434937416, - 291595.6457875997, - 560.0686514882752, - -133489.49767292588, - 626.2073542055734 - ] - }, - { - "identifier": { - "cas": "121-73-3", - "name": "1-chloro-3-nitrobenzene", - "iupac_name": "1-chloro-3-nitrobenzene", - "formula": "C6H4ClNO2", - "smiles": "C1=CC(=CC(=C1)Cl)[N+](=O)[O-]", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 53180.074894897814, - 256689.08394566344, - 444.6336724309583, - -127047.44151263894, - 499.82502096494017 - ] - }, - { - "identifier": { - "cas": "121-82-4", - "name": "cyclonite", - "iupac_name": "1,3,5-trinitro-1,3,5-triazinane", - "formula": "C3H6N6O6", - "smiles": "C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]", - "inchi": "InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2" - }, - "DIPPR107": [ - 93144.48683656576, - 413119.6879665821, - 527.2467491545893, - -200272.4198067675, - 587.4075124143196 - ] - }, - { - "identifier": { - "cas": "123-01-3", - "name": "dodecylbenzene", - "iupac_name": "dodecylbenzene", - "formula": "C18H30", - "smiles": "CCCCCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3" - }, - "DIPPR107": [ - 118822.73894108384, - 961625.0861343106, - 527.8413061629254, - -544746.2800763603, - 671.9608623628392 - ] - }, - { - "identifier": { - "cas": "123-02-4", - "name": "tridecylbenzene", - "iupac_name": "tridecylbenzene", - "formula": "C19H32", - "smiles": "CCCCCCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3" - }, - "DIPPR107": [ - 126948.71522184245, - 1020465.8489290058, - 526.5793808459815, - -580589.3939030298, - 670.8594680857882 - ] - }, - { - "identifier": { - "cas": "123-31-9", - "name": "hydroquinone", - "iupac_name": "benzene-1,4-diol", - "formula": "C6H6O2", - "smiles": "C1=CC(=CC=C1O)O", - "inchi": "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H" - }, - "DIPPR107": [ - 34974.31902497165, - 254666.07854645108, - 326.6030434747923, - -200396.49553489, - 388.62350741449006 - ] - }, - { - "identifier": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "formula": "C2H5NO", - "smiles": "CNC=O", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "DIPPR107": [ - 43732.332043014976, - 172754.6781608768, - 759.8568763148975, - -91900.07039749487, - 967.3738086476326 - ] - }, - { - "identifier": { - "cas": "123-51-3", - "name": "isoamyl alcohol", - "iupac_name": "3-methylbutan-1-ol", - "formula": "C5H12O", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "DIPPR107": [ - 62404.293525930225, - 310643.3176045999, - 434.1523656148256, - -232532.99511383078, - 529.1000468027834 - ] - }, - { - "identifier": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "formula": "C4H8O", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "DIPPR107": [ - 52451.928271408, - 259574.96207945855, - 594.2604310298171, - -174791.57392218133, - 745.4936104674591 - ] - }, - { - "identifier": { - "cas": "123-73-9", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "formula": "C4H6O", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" - }, - "DIPPR107": [ - 50989.59860988324, - 183623.18268036674, - 516.470420576505, - -109593.85252950412, - 617.8992498008347 - ] - }, - { - "identifier": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "formula": "C4H9N", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "DIPPR107": [ - 46019.39450828671, - 253409.894492536, - 548.3025040962365, - -172934.913867433, - 560.5435015884233 - ] - }, - { - "identifier": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "formula": "C4H8O2", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "DIPPR107": [ - 40332.357247677064, - 271795.97580599796, - 508.51487355617394, - -189969.46890457615, - 565.1061521455053 - ] - }, - { - "identifier": { - "cas": "124-11-8", - "name": "1-nonene", - "iupac_name": "non-1-ene", - "formula": "C9H18", - "smiles": "CCCCCCCC=C", - "inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3" - }, - "DIPPR107": [ - 84335.8380519358, - 515435.03534808295, - 545.775421167475, - -301565.77687611873, - 694.5843194320631 - ] - }, - { - "identifier": { - "cas": "124-13-0", - "name": "octanal", - "iupac_name": "octanal", - "formula": "C8H16O", - "smiles": "CCCCCCCC=O", - "inchi": "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3" - }, - "DIPPR107": [ - 84955.83339444238, - 446179.5359856413, - 519.085335554225, - -264101.78814031504, - 624.6124549437395 - ] - }, - { - "identifier": { - "cas": "124-19-6", - "name": "nonanal", - "iupac_name": "nonanal", - "formula": "C9H18O", - "smiles": "CCCCCCCCC=O", - "inchi": "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3" - }, - "DIPPR107": [ - 93081.80967520097, - 502400.29971537815, - 515.7067922224898, - -298425.5958917265, - 620.9504424730021 - ] - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "formula": "CO2", - "smiles": "C(=O)=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "DIPPR107": [ - 29264.390275463145, - 33845.60160000982, - 1297.0495219776558, - 23386.216714044287, - 550.6624296314397 - ] - }, - { - "identifier": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "formula": "C2H7N", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "DIPPR107": [ - 16956.561775641276, - 197230.76376316388, - 529.5808997869669, - -115696.5120271454, - 710.4224443448289 - ] - }, - { - "identifier": { - "cas": "124-48-1", - "name": "chlorodibromomethane", - "iupac_name": "dibromo(chloro)methane", - "formula": "CHBr2Cl", - "smiles": "C(Cl)(Br)Br", - "inchi": "InChI=1S/CHBr2Cl/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 35763.95725580299, - 66696.70072412788, - 243.2811590977674, - -47818.425278605646, - 325.0224505774154 - ] - }, - { - "identifier": { - "cas": "12596-38-2", - "name": "potassium", - "iupac_name": "molecular potassium", - "formula": "K2", - "smiles": "[K][K]", - "inchi": "InChI=1S/2K" - }, - "DIPPR107": [ - 37679.04165167528, - 5015.505112688471, - 2389.445568659308, - 2042.6256439095885, - 880.3446972894626 - ] - }, - { - "identifier": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "formula": "C2Cl4", - "smiles": "C(=C(Cl)Cl)(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "DIPPR107": [ - 55111.030497696156, - 77675.37254985012, - 346.7443074371468, - -24966.11556416003, - 430.140849459088 - ] - }, - { - "identifier": { - "cas": "1271-28-9", - "name": "nickelocene", - "iupac_name": "bis(cyclopenta-1,3-diene);nickel(2+)", - "formula": "C10H10Ni", - "smiles": "[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ni+2]", - "inchi": "InChI=1S/2C5H5.Ni/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2" - }, - "DIPPR107": [ - 115241.6922165491, - 383832.43772676465, - 1674.716652593966, - 315432.68210208206, - 757.2991715610619 - ] - }, - { - "identifier": { - "cas": "1284-72-6", - "name": "magnesocene", - "iupac_name": "magnesium bis(cyclopenta-1,3-diene)", - "formula": "C10H10Mg", - "smiles": "[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Mg+2]", - "inchi": "InChI=1S/2C5H5.Mg/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2" - }, - "DIPPR107": [ - 41571.65, - 425585.4363671425, - 516.0538051537708, - -196234.47102505114, - 600.2084096466332 - ] - }, - { - "identifier": { - "cas": "1287-13-4", - "name": "dtxsid90903950", - "iupac_name": "cyclopenta-1,3-diene; cyclopentane; ruthenium", - "formula": "C10H10Ru", - "smiles": "C1=C[CH]C=C1.C1=C[CH]C=C1.[Ru]", - "inchi": "InChI=1S/2C5H5.Ru/c2*1-2-4-5-3-1;/h2*1-5H;" - }, - "DIPPR107": [ - 96109.70891758267, - 401047.398134473, - 1602.8082197082226, - 330161.12827751756, - 720.399855795443 - ] - }, - { - "identifier": { - "cas": "129-00-0", - "name": "pyrene", - "iupac_name": "pyrene", - "formula": "C16H10", - "smiles": "C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2", - "inchi": "InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H" - }, - "DIPPR107": [ - 45045.08521122234, - 530384.7585761801, - 411.96225557415727, - -341568.4752664825, - 466.7494386292837 - ] - }, - { - "identifier": { - "cas": "130-15-4", - "name": "1,4-naphthoquinone", - "iupac_name": "naphthalene-1,4-dione", - "formula": "C10H6O2", - "smiles": "C1=CC=C2C(=O)C=CC(=O)C2=C1", - "inchi": "InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H" - }, - "DIPPR107": [ - 52762.91511482689, - 360139.7240115484, - 479.6836949116557, - -215824.06449756245, - 529.7684725749936 - ] - }, - { - "identifier": { - "cas": "13021-02-8", - "name": "nitrocyclopropane", - "iupac_name": "nitrocyclopropane", - "formula": "C3H5NO2", - "smiles": "C1CC1[N+](=O)[O-]", - "inchi": "InChI=1S/C3H5NO2/c5-4(6)3-1-2-3/h3H,1-2H2" - }, - "DIPPR107": [ - 45498.103911392995, - 203207.75575066678, - 550.6594731997691, - -104765.85593850812, - 638.1773959022502 - ] - }, - { - "identifier": { - "cas": "1303-86-2", - "name": "boron sesquioxide", - "iupac_name": "2,4,5-trioxa-1,3-diborabicyclo[1.1.1]pentane", - "formula": "B2O3", - "smiles": "B12OB(O1)O2", - "inchi": "InChI=1S/B2O3/c3-1-4-2(3)5-1" - }, - "DIPPR107": [ - 52405.34065601915, - 55666.26112853458, - 1281.8017397521116, - 43583.96691886343, - 567.0408888797804 - ] - }, - { - "identifier": { - "cas": "1310-58-3", - "name": "potassium hydroxide", - "iupac_name": "potassium hydroxide", - "formula": "HKO", - "smiles": "[OH-].[K+]", - "inchi": "InChI=1S/K.H2O/h;1H2/q+1;/p-1" - }, - "DIPPR107": [ - 48802.23866033464, - 12888.146839580017, - 3150.7497411585005, - -25340.93207939178, - 236.2266787985752 - ] - }, - { - "identifier": { - "cas": "13194-67-7", - "name": "4-fluoro-2-iodotoluene", - "iupac_name": "4-fluoro-2-iodo-1-methylbenzene", - "formula": "C7H6FI", - "smiles": "CC1=C(C=C(C=C1)F)I", - "inchi": "InChI=1S/C7H6FI/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3" - }, - "DIPPR107": [ - 52440.21085487057, - 279365.26259071287, - 469.9253043403116, - -170664.2245792586, - 543.7556604942694 - ] - }, - { - "identifier": { - "cas": "132-64-9", - "name": "dibenzofuran", - "iupac_name": "dibenzofuran", - "formula": "C12H8O", - "smiles": "C1=CC=C2C(=C1)C3=CC=CC=C3O2", - "inchi": "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" - }, - "DIPPR107": [ - 42655.58903934864, - 414474.67904335976, - 405.5301151983858, - -274604.32201511716, - 449.7588674251386 - ] - }, - { - "identifier": { - "cas": "13214-70-5", - "name": "2,3-dibromonaphthalene", - "iupac_name": "2,3-dibromonaphthalene", - "formula": "C10H6Br2", - "smiles": "C1=CC=C2C=C(C(=CC2=C1)Br)Br", - "inchi": "InChI=1S/C10H6Br2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H" - }, - "DIPPR107": [ - 59364.89149771986, - 353727.97017447493, - 474.5189776484209, - -165059.85711709148, - 572.3835007169087 - ] - }, - { - "identifier": { - "cas": "13269-52-8", - "name": "trans-3-hexene", - "iupac_name": "(e)-hex-3-ene", - "formula": "C6H12", - "smiles": "CCC=CCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+" - }, - "DIPPR107": [ - 63059.34563492864, - 319496.9495652882, - 553.2878284097338, - -177993.05293529687, - 667.2433037220032 - ] - }, - { - "identifier": { - "cas": "13360-61-7", - "name": "1-pentadecene", - "iupac_name": "pentadec-1-ene", - "formula": "C15H30", - "smiles": "CCCCCCCCCCCCCC=C", - "inchi": "InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3" - }, - "DIPPR107": [ - 133091.69573648737, - 870581.5457790998, - 532.7740409382033, - -513030.6303804641, - 682.9335567423003 - ] - }, - { - "identifier": { - "cas": "134-32-7", - "name": "1-naphthylamine", - "iupac_name": "naphthalen-1-amine", - "formula": "C10H9N", - "smiles": "C1=CC=C2C(=C1)C=CC=C2N", - "inchi": "InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2" - }, - "DIPPR107": [ - 39242.11866036061, - 386897.1887140511, - 328.5173386535165, - -324974.3443522367, - 388.2583828194194 - ] - }, - { - "identifier": { - "cas": "13444-76-3", - "name": "mercury bromide iodide", - "iupac_name": "mercury bromide iodide", - "formula": "BrHgI", - "smiles": "Br[Hg]I", - "inchi": "InChI=1S/BrH.Hg.HI/h1H;;1H/q;+2;/p-2" - }, - "DIPPR107": [ - 37668.408718496335, - 24669.980664283274, - 236.85703621484828, - 21960.897184347203, - 121.1020841885134 - ] - }, - { - "identifier": { - "cas": "1345-25-1", - "name": "iron oxide (feo)", - "iupac_name": "iron(2+);oxygen(2-)", - "formula": "FeO", - "smiles": "[O-2].[Fe+2]", - "inchi": "InChI=1S/Fe.O/q+2;-2" - }, - "DIPPR107": [ - 29114.16809650798, - 8964.182062223821, - 1340.1541709980852, - 8975.913542342227, - 639.311237077805 - ] - }, - { - "identifier": { - "cas": "13463-39-3", - "name": "nickel carbonyl", - "iupac_name": "carbon monoxide;nickel", - "formula": "C4NiO4", - "smiles": "[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ni]", - "inchi": "InChI=1S/4CO.Ni/c4*1-2;" - }, - "DIPPR107": [ - 3176.764142796477, - 204398.842655433, - 259.20377369184706, - -64372.93652544944, - 571.1705248916032 - ] - }, - { - "identifier": { - "cas": "13463-40-6", - "name": "pentacarbonyliron", - "iupac_name": "formaldehyde;iron", - "formula": "C5FeO5", - "smiles": "C=O.C=O.C=O.C=O.C=O.[Fe]", - "inchi": "InChI=1S/5CO.Fe/c5*1-2;" - }, - "DIPPR107": [ - 222071.93522501906, - 35353.86353914216, - 1547.5200717858584, - -177041.98507470146, - 193.25325909229704 - ] - }, - { - "identifier": { - "cas": "13463-67-7", - "name": "titanium dioxide", - "iupac_name": "dioxotitanium", - "formula": "O2Ti", - "smiles": "O=[Ti]=O", - "inchi": "InChI=1S/2O.Ti" - }, - "DIPPR107": [ - 34839.32745664243, - 23453.925561640353, - 670.7767391507658, - 9680.37805783415, - 280.68380148175123 - ] - }, - { - "identifier": { - "cas": "13464-51-2", - "name": "trideuteroarsine", - "iupac_name": "arsine-d3", - "formula": "AsH3", - "smiles": "[AsH3]", - "inchi": "InChI=1S/AsH3/h1H3/i1D3" - }, - "DIPPR107": [ - 33258.13609797296, - 49782.31397114702, - 1082.6052543469616, - 25422.1883962415, - 513.4668178073715 - ] - }, - { - "identifier": { - "cas": "13465-07-1", - "name": "hydrogen disulfide", - "iupac_name": "hydrogen sulfide", - "formula": "H2S2", - "smiles": "SS", - "inchi": "InChI=1S/H2S2/c1-2/h1-2H" - }, - "DIPPR107": [ - 41571.65, - 35394.82806892786, - 1356.9914755295624, - 27039.549799624896, - 515.1912218842456 - ] - }, - { - "identifier": { - "cas": "13465-71-9", - "name": "trifluorosilane", - "iupac_name": "trifluorosilane", - "formula": "F3HSi", - "smiles": "F[SiH](F)F", - "inchi": "InChI=1S/F3HSi/c1-4(2)3/h4H" - }, - "DIPPR107": [ - 36859.043704023665, - 69758.6990842813, - 402.6061916901916, - -31520.596793626588, - 461.0184352432591 - ] - }, - { - "identifier": { - "cas": "13465-73-1", - "name": "bromosilane", - "iupac_name": "bromosilicon", - "formula": "BrSi", - "smiles": "[Si]Br", - "inchi": "InChI=1S/BrSi/c1-2" - }, - "DIPPR107": [ - 33905.58250007465, - 72565.243843445, - 525.4004727640931, - -36506.527667429065, - 638.2348255528292 - ] - }, - { - "identifier": { - "cas": "13465-74-2", - "name": "bromotrichlorosilane", - "iupac_name": "bromo(trichloro)silane", - "formula": "BrCl3Si", - "smiles": "[Si](Cl)(Cl)(Cl)Br", - "inchi": "InChI=1S/BrCl3Si/c1-5(2,3)4" - }, - "DIPPR107": [ - 0.7234327068339089, - 108376.26782154245, - 117.72165169238792, - -36764.077030821914, - 209.2183969654711 - ] - }, - { - "identifier": { - "cas": "13465-75-3", - "name": "dibromodichlorosilane", - "iupac_name": "dibromo(dichloro)silane", - "formula": "Br2Cl2Si", - "smiles": "[Si](Cl)(Cl)(Br)Br", - "inchi": "InChI=1S/Br2Cl2Si/c1-5(2,3)4" - }, - "DIPPR107": [ - 0.9274297945563548, - 108096.76809105054, - 105.2790275662072, - -36614.724897412176, - 187.0086480434142 - ] - }, - { - "identifier": { - "cas": "13465-76-4", - "name": "tribromochlorosilane", - "iupac_name": "tribromo(chloro)silane", - "formula": "Br3ClSi", - "smiles": "[Si](Cl)(Br)(Br)Br", - "inchi": "InChI=1S/Br3ClSi/c1-5(2,3)4" - }, - "DIPPR107": [ - 2.1989801552603057, - 108076.07762063433, - 100.05453997861758, - -34596.00557021214, - 177.1126535285869 - ] - }, - { - "identifier": { - "cas": "13465-78-6", - "name": "chlorosilane", - "iupac_name": "chlorosilane", - "formula": "ClH3Si", - "smiles": "[SiH3]Cl", - "inchi": "InChI=1S/ClH3Si/c1-2/h2H3" - }, - "DIPPR107": [ - 33583.84720560292, - 73211.01641223408, - 564.7980219854388, - -34557.02152267139, - 663.3849339610013 - ] - }, - { - "identifier": { - "cas": "13465-84-4", - "name": "silicon tetraiodide", - "iupac_name": "tetraiodosilane", - "formula": "I4Si", - "smiles": "[Si](I)(I)(I)I", - "inchi": "InChI=1S/I4Si/c1-5(2,3)4" - }, - "DIPPR107": [ - 21.52534243122042, - 108068.8635367516, - 71.71551363204306, - -31416.08395113078, - 139.46110861896565 - ] - }, - { - "identifier": { - "cas": "13465-85-5", - "name": "silane, trichloroiodo-", - "iupac_name": "trichloro(iodo)silane", - "formula": "Cl3ISi", - "smiles": "[Si](Cl)(Cl)(Cl)I", - "inchi": "InChI=1S/Cl3ISi/c1-5(2,3)4" - }, - "DIPPR107": [ - 74362.48132082968, - 33424.823262072736, - 480.1358921853952, - 7882.576333844591, - 392.3071373897337 - ] - }, - { - "identifier": { - "cas": "13478-20-1", - "name": "phosphoryl fluoride", - "iupac_name": "phosphoryl trifluoride", - "formula": "F3OP", - "smiles": "O=P(F)(F)F", - "inchi": "InChI=1S/F3OP/c1-5(2,3)4" - }, - "DIPPR107": [ - 39169.185793617755, - 68785.45167655729, - 786.6861902849166, - 45665.16947652483, - 374.79186533451406 - ] - }, - { - "identifier": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "formula": "C10H8O", - "smiles": "C1=CC=C2C=C(C=CC2=C1)O", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "DIPPR107": [ - 37438.88546233731, - 369445.47667894873, - 337.3579937363017, - -317478.56035454356, - 388.9878184646231 - ] - }, - { - "identifier": { - "cas": "135-67-1", - "name": "phenoxazine", - "iupac_name": "10h-phenoxazine", - "formula": "C12H9NO", - "smiles": "C1=CC=C2C(=C1)NC3=CC=CC=C3O2", - "inchi": "InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H" - }, - "DIPPR107": [ - 73624.40614211935, - 441019.0986008896, - 478.8658635510102, - -232698.24262493648, - 520.4028580955222 - ] - }, - { - "identifier": { - "cas": "13510-35-5", - "name": "indium triiodide", - "iupac_name": "indium iodide", - "formula": "I3In", - "smiles": "I[In](I)I", - "inchi": "InChI=1S/3HI.In/h3*1H;/q;;;+3/p-3" - }, - "DIPPR107": [ - 75241.50510555196, - 7907.27456846148, - 751.2239242260135, - 10225.24374753757, - 354.0929282023372 - ] - }, - { - "identifier": { - "cas": "13536-94-2", - "name": "hydrogen sulfide-d2", - "iupac_name": "(2h2)sulfane", - "formula": "H2S", - "smiles": "S", - "inchi": "InChI=1S/H2S/h1H2/i/hD2" - }, - "DIPPR107": [ - 33344.745149040355, - 29181.984812977124, - 1543.6721717059067, - 11757.464556870933, - 697.9627750649937 - ] - }, - { - "identifier": { - "cas": "13536-98-6", - "name": "fluoro-silane-d3", - "iupac_name": "fluoro-silane-d3", - "formula": "H3FSi", - "smiles": "F[SiH3]", - "inchi": "InChI=1S/FH3Si/c1-2/h2H3/i2D3" - }, - "DIPPR107": [ - 33405.600513970974, - 74374.21469944982, - 484.1030512921429, - -30195.325575195147, - 533.5891252988516 - ] - }, - { - "identifier": { - "cas": "13537-02-5", - "name": "silane-d3", - "iupac_name": "trideuteriosilane", - "formula": "H4Si", - "smiles": "[SiH4]", - "inchi": "InChI=1S/H4Si/h1H4/i1D3" - }, - "DIPPR107": [ - 33282.06108716912, - 74131.77762060337, - 1133.290376127119, - 41638.29329645996, - 531.1796617199088 - ] - }, - { - "identifier": { - "cas": "13537-03-6", - "name": "phosphine-d3", - "iupac_name": "trideuteriophosphane", - "formula": "H3P", - "smiles": "P", - "inchi": "InChI=1S/H3P/h1H3/i1D3" - }, - "DIPPR107": [ - 33225.465025750396, - 49896.36536425115, - 1194.0856672526868, - 24995.77638847588, - 574.011611515931 - ] - }, - { - "identifier": { - "cas": "13537-07-0", - "name": "silane-d4", - "iupac_name": "tetradeuteriosilane", - "formula": "H4Si", - "smiles": "[SiH4]", - "inchi": "InChI=1S/H4Si/h1H4/i1D4" - }, - "DIPPR107": [ - 33265.86167551816, - 74711.98440144859, - 1065.095368117175, - 42895.169541847026, - 496.5411653685986 - ] - }, - { - "identifier": { - "cas": "13537-33-2", - "name": "silylidyne, fluoro-", - "iupac_name": "fluorosilicon", - "formula": "FSi", - "smiles": "F[Si]", - "inchi": "InChI=1S/FSi/c1-2" - }, - "DIPPR107": [ - 33322.63741472843, - 74108.75214270872, - 635.0236524930964, - -29664.552848547806, - 723.488096565827 - ] - }, - { - "identifier": { - "cas": "13550-48-6", - "name": "trideuterio(iodo)silane", - "iupac_name": "trideuterio(iodo)silane", - "formula": "H3ISi", - "smiles": "I[SiH3]", - "inchi": "InChI=1S/H3ISi/c1-2/h2H3/i2D3" - }, - "DIPPR107": [ - 34230.74585334041, - 73811.0137544923, - 418.111028812036, - -33313.87353956925, - 533.1355896229547 - ] - }, - { - "identifier": { - "cas": "13550-49-7", - "name": "ammonia-d3", - "iupac_name": "trideuterioammonia", - "formula": "H3N", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3/i/hD3" - }, - "DIPPR107": [ - 33294.29246725841, - 47275.14479541744, - 1554.499532300192, - 21257.27008816543, - 705.9937593546732 - ] - }, - { - "identifier": { - "cas": "13595-89-6", - "name": "mercury bromide chloride", - "iupac_name": "mercury bromide chloride", - "formula": "BrClHg", - "smiles": "Cl[Hg]Br", - "inchi": "InChI=1S/BrH.ClH.Hg/h2*1H;/q;;+2/p-2" - }, - "DIPPR107": [ - 23.794413397750365, - 62333.99854524847, - 191.24931819270597, - 70228.26941184292, - 80.52343028720252 - ] - }, - { - "identifier": { - "cas": "13598-42-0", - "name": "iodosilane", - "iupac_name": "iodosilane", - "formula": "H3ISi", - "smiles": "[SiH3]I", - "inchi": "InChI=1S/H3ISi/c1-2/h2H3" - }, - "DIPPR107": [ - 32932.99724180174, - 73106.9458898659, - 481.6201664590808, - -41637.037883944824, - 600.0763170447937 - ] - }, - { - "identifier": { - "cas": "13637-82-6", - "name": "chlorosilane-d3", - "iupac_name": "chloro(trideuterio)silane", - "formula": "ClH3Si", - "smiles": "[SiH3]Cl", - "inchi": "InChI=1S/ClH3Si/c1-2/h2H3/i2D3" - }, - "DIPPR107": [ - 31343.411142493445, - 76297.48462796611, - 429.8576054457368, - -34977.970072482014, - 512.8094304765849 - ] - }, - { - "identifier": { - "cas": "13670-17-2", - "name": "hydrogen tritium oxide", - "iupac_name": "oxidane", - "formula": "H2O", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2/i/hT" - }, - "DIPPR107": [ - 33337.81278701792, - 27153.428688792137, - 2385.1966372888387, - 12990.351081441882, - 1075.778629200376 - ] - }, - { - "identifier": { - "cas": "137-43-9", - "name": "bromocyclopentane", - "iupac_name": "bromocyclopentane", - "formula": "C5H9Br", - "smiles": "C1CCC(C1)Br", - "inchi": "InChI=1S/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2" - }, - "DIPPR107": [ - 49255.47353872154, - 273605.4425250733, - 554.8254061553131, - -137636.1089204121, - 629.9307150572909 - ] - }, - { - "identifier": { - "cas": "13725-27-4", - "name": "trideuterio(methoxy)methane", - "iupac_name": "trideuterio(methoxy)methane", - "formula": "C2H6O", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3/i1D3" - }, - "DIPPR107": [ - 44204.44606211036, - 150301.53713594688, - 517.9768802886981, - -113730.73966811635, - 598.1706979298924 - ] - }, - { - "identifier": { - "cas": "13762-18-0", - "name": "dihydrogen sulfide-d1", - "iupac_name": "deuteriosulfane", - "formula": "H2S", - "smiles": "S", - "inchi": "InChI=1S/H2S/h1H2/i/hD" - }, - "DIPPR107": [ - 33307.33664614131, - 25811.21855535743, - 1687.5616243281995, - 10153.129641894613, - 794.4453163828591 - ] - }, - { - "identifier": { - "cas": "13768-94-0", - "name": "dibromosilane", - "iupac_name": "dibromosilane", - "formula": "Br2H2Si", - "smiles": "[SiH2](Br)Br", - "inchi": "InChI=1S/Br2H2Si/c1-3-2/h3H2" - }, - "DIPPR107": [ - 40667.16257500376, - 65703.06587557725, - 436.2995443274117, - -27764.896862232996, - 579.1393643472514 - ] - }, - { - "identifier": { - "cas": "13774-60-2", - "name": "tritium sulfide", - "iupac_name": "tritium sulfide", - "formula": "H2S", - "smiles": "S", - "inchi": "InChI=1S/H2S/h1H2/i/hT2" - }, - "DIPPR107": [ - 33319.67731419219, - 26843.517042104228, - 1217.3286578021996, - 10489.024159459492, - 558.349216211145 - ] - }, - { - "identifier": { - "cas": "13780-31-9", - "name": "silane-d2", - "iupac_name": "dideuteriosilane", - "formula": "H4Si", - "smiles": "[SiH4]", - "inchi": "InChI=1S/H4Si/h1H4/i1D2" - }, - "DIPPR107": [ - 33322.44517292855, - 74089.03624094043, - 1243.3462753877234, - 42518.33472420979, - 580.3201374732782 - ] - }, - { - "identifier": { - "cas": "13819-11-9", - "name": "difluoroiodophosphine", - "iupac_name": "difluoro(iodo)phosphane", - "formula": "F2IP", - "smiles": "FP(F)I", - "inchi": "InChI=1S/F2IP/c1-4(2)3" - }, - "DIPPR107": [ - 38092.259880450474, - 45038.44952459016, - 252.41441787517783, - -18874.828420947608, - 296.417941883955 - ] - }, - { - "identifier": { - "cas": "13824-36-7", - "name": "difluorosilane", - "iupac_name": "difluorosilane", - "formula": "F2H2Si", - "smiles": "F[SiH2]F", - "inchi": "InChI=1S/F2H2Si/c1-3-2/h3H2" - }, - "DIPPR107": [ - 34889.4630172974, - 71466.95935057926, - 518.8960899804443, - -30702.95409517094, - 576.8443164734396 - ] - }, - { - "identifier": { - "cas": "13827-32-2", - "name": "sulfur monoxide", - "iupac_name": "sulfur monoxide", - "formula": "OS", - "smiles": "O=S", - "inchi": "InChI=1S/OS/c1-2" - }, - "DIPPR107": [ - 28581.849558341233, - 9086.317408984609, - 873.2630430159554, - 1926.6024647462464, - 451.289783939858 - ] - }, - { - "identifier": { - "cas": "13847-65-9", - "name": "nitrogen fluoride oxide", - "iupac_name": "trifluoroamine oxide", - "formula": "F3NO", - "smiles": "[N+]([O-])(F)(F)F", - "inchi": "InChI=1S/F3NO/c1-4(2,3)5" - }, - "DIPPR107": [ - 33177.438174361436, - 48683.97763459476, - 339.07072666811854, - 46459.50830750178, - 1222.4008418485312 - ] - }, - { - "identifier": { - "cas": "13863-41-7", - "name": "bromine chloride", - "iupac_name": "bromine chloride", - "formula": "BrCl", - "smiles": "ClBr", - "inchi": "InChI=1S/BrCl/c1-2" - }, - "DIPPR107": [ - 31978.97422357143, - 6383.645258699711, - 1263.697115627955, - 8389.11317908326, - 520.0354702489831 - ] - }, - { - "identifier": { - "cas": "13873-84-2", - "name": "iodine monofluoride", - "iupac_name": "iodine fluoride", - "formula": "FI", - "smiles": "FI", - "inchi": "InChI=1S/FI/c1-2" - }, - "DIPPR107": [ - 30246.39871432022, - 8055.735423606571, - 1251.6956536037671, - 9598.205303439057, - 552.858686156581 - ] - }, - { - "identifier": { - "cas": "13932-03-1", - "name": "chloro(triiodo)silane", - "iupac_name": "chloro(triiodo)silane", - "formula": "ClI3Si", - "smiles": "[Si](Cl)(I)(I)I", - "inchi": "InChI=1S/ClI3Si/c1-5(2,3)4" - }, - "DIPPR107": [ - 21177.894713901434, - 86900.49744274799, - 101.69554524568548, - -28128.421056700183, - 166.2989731586022 - ] - }, - { - "identifier": { - "cas": "13952-84-6", - "name": "sec-butylamine", - "iupac_name": "butan-2-amine", - "formula": "C4H11N", - "smiles": "CCC(C)N", - "inchi": "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3" - }, - "DIPPR107": [ - 39886.4362445931, - 274091.18766832096, - 327.8861405952667, - -254458.86952384823, - 410.1825098818748 - ] - }, - { - "identifier": { - "cas": "13966-66-0", - "name": "difluorosilylene", - "iupac_name": "difluorosilylene", - "formula": "F2H2Si", - "smiles": "F[Si]F", - "inchi": "InChI=1S/F2Si/c1-3-2" - }, - "DIPPR107": [ - 33357.404796908784, - 24838.60375801445, - 648.5006248091856, - 9817.665892005332, - 328.5352331906115 - ] - }, - { - "identifier": { - "cas": "141-43-5", - "name": "ethanolamine", - "iupac_name": "2-aminoethanol", - "formula": "C2H7NO", - "smiles": "C(CO)N", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "DIPPR107": [ - 40439.85943015939, - 195865.62771503426, - 418.9520742682376, - -163937.69706100857, - 487.619442351378 - ] - }, - { - "identifier": { - "cas": "141312-03-0", - "name": "deuteroisothiocyanic acid", - "iupac_name": "isothiocyanic acid-d", - "formula": "CHNS", - "smiles": "C(=N[2H])=S", - "inchi": "InChI=1S/CHNS/c2-1-3/h2H/i/hD" - }, - "DIPPR107": [ - 36958.278862117935, - 44374.86598683076, - 490.9289540743291, - -19999.69147278337, - 689.3193638410983 - ] - }, - { - "identifier": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "formula": "C5H8", - "smiles": "C1CC=CC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "DIPPR107": [ - 40579.3636115751, - 244612.06997399358, - 580.5143828516706, - -150309.39105581937, - 608.2479105405888 - ] - }, - { - "identifier": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "formula": "C5H10O", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "DIPPR107": [ - 40921.108876966806, - 316652.9192723133, - 519.1916538250972, - -219225.17443431963, - 573.5402974253263 - ] - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "formula": "C7H16", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "DIPPR107": [ - 72647.65157721199, - 405353.078476141, - 439.35873166183535, - -318102.87444248993, - 519.5093498479597 - ] - }, - { - "identifier": { - "cas": "1423-08-1", - "name": "1,3,5-trifluoro-trideuteriobenzene", - "iupac_name": "2,4,6-trifluorobenzene-1,3,5-d3", - "formula": "C6H3F3", - "smiles": "FC=1C=C(F)C=C(F)C1", - "inchi": "InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H/i1D,2D,3D" - }, - "DIPPR107": [ - 46317.4407596231, - 228787.96052361053, - 412.2917510298172, - -113087.19308152878, - 489.3428260817925 - ] - }, - { - "identifier": { - "cas": "1423-10-5", - "name": "fluorobenzene-d5", - "iupac_name": "1,2,3,4,5-pentadeuterio-6-fluorobenzene", - "formula": "C6H5F", - "smiles": "C1=CC=C(C=C1)F", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D" - }, - "DIPPR107": [ - 39115.09022069351, - 233509.71846326577, - 462.9257157563399, - -115260.2918090643, - 525.1471571452946 - ] - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "formula": "C9H20O", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "DIPPR107": [ - 94171.17084837906, - 527804.4504241835, - 484.3605020750607, - -343743.65786761115, - 576.9105021615285 - ] - }, - { - "identifier": { - "cas": "143-10-2", - "name": "1-decanethiol", - "iupac_name": "decane-1-thiol", - "formula": "C10H22S", - "smiles": "CCCCCCCCCCS", - "inchi": "InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "DIPPR107": [ - 108666.20312708241, - 595263.7475282563, - 493.1901195162184, - -376069.2804953955, - 586.3618173409021 - ] - }, - { - "identifier": { - "cas": "14311-54-7", - "name": "isothiocyanatosilane", - "iupac_name": "isothiocyanatosilane", - "formula": "CH3NSSi", - "smiles": "S=C=N[SiH3]", - "inchi": "InChI=1S/CH3NSSi/c3-1-2-4/h4H3" - }, - "DIPPR107": [ - 49559.76017731815, - 104232.02057891112, - 493.2802793010305, - -51574.32174289459, - 586.6190127497565 - ] - }, - { - "identifier": { - "cas": "14333-26-7", - "name": "deuterium fluoride", - "iupac_name": "(2h)fluorane", - "formula": "FH", - "smiles": "F", - "inchi": "InChI=1S/FH/h1H/i/hD" - }, - "DIPPR107": [ - 30018.68119533658, - 8658.15368049115, - 2311.294731571263, - -2078.8819729045226, - 426.96782073403415 - ] - }, - { - "identifier": { - "cas": "14452-59-6", - "name": "lithium dimer", - "iupac_name": "dilithium", - "formula": "Li2", - "smiles": "[Li].[Li]", - "inchi": "InChI=1S/2Li" - }, - "DIPPR107": [ - 33750.77547959096, - 6517.047333162035, - 1506.1959921393036, - 7114.967824230161, - 555.5416744579016 - ] - }, - { - "identifier": { - "cas": "14515-39-0", - "name": "hexafluorodisiloxane", - "iupac_name": "trifluoro(trifluorosilyloxy)silane", - "formula": "F6OSi2", - "smiles": "O([Si](F)(F)F)[Si](F)(F)F", - "inchi": "InChI=1S/F6OSi2/c1-8(2,3)7-9(4,5)6" - }, - "DIPPR107": [ - 84769.99620467323, - 114779.40866831626, - 350.4257567447792, - -32260.263179790843, - 377.22877832126784 - ] - }, - { - "identifier": { - "cas": "1455-13-6", - "name": "methanol-d", - "iupac_name": "deuteriooxymethane", - "formula": "CH4O", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" - }, - "DIPPR107": [ - 38978.90360542208, - 85379.90763012395, - 1524.135945708582, - 36240.64831757575, - 722.960789043527 - ] - }, - { - "identifier": { - "cas": "1455-21-6", - "name": "1-nonanethiol", - "iupac_name": "nonane-1-thiol", - "formula": "C9H20S", - "smiles": "CCCCCCCCCS", - "inchi": "InChI=1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "DIPPR107": [ - 100540.22684632383, - 546323.1797902666, - 501.6960126659725, - -347434.443227421, - 602.0452878540747 - ] - }, - { - "identifier": { - "cas": "1459-09-2", - "name": "hexadecylbenzene", - "iupac_name": "hexadecylbenzene", - "formula": "C22H38", - "smiles": "CCCCCCCCCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C22H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3" - }, - "DIPPR107": [ - 151326.64406411824, - 1197934.4111776215, - 524.6892141185315, - -686258.6723537534, - 670.0675416298244 - ] - }, - { - "identifier": { - "cas": "1459-10-5", - "name": "tetradecylbenzene", - "iupac_name": "tetradecylbenzene", - "formula": "C20H34", - "smiles": "CCCCCCCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3" - }, - "DIPPR107": [ - 135074.69150260102, - 1080083.1891622369, - 526.6502434324186, - -615058.2987346342, - 672.0745882992014 - ] - }, - { - "identifier": { - "cas": "1462-03-9", - "name": "1-methylcyclopentanol", - "iupac_name": "1-methylcyclopentan-1-ol", - "formula": "C6H12O", - "smiles": "CC1(CCCC1)O", - "inchi": "InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3" - }, - "DIPPR107": [ - 55150.45403877956, - 341075.23150893283, - 462.2077827972462, - -242061.625518139, - 515.6748193973256 - ] - }, - { - "identifier": { - "cas": "1462-84-6", - "name": "2,3,6-trimethylpyridine", - "iupac_name": "2,3,6-trimethylpyridine", - "formula": "C8H11N", - "smiles": "CC1=C(N=C(C=C1)C)C", - "inchi": "InChI=1S/C8H11N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3" - }, - "DIPPR107": [ - 51968.255632983375, - 378054.5848515581, - 476.1817468981545, - -237450.13429710743, - 571.8478683078371 - ] - }, - { - "identifier": { - "cas": "14808-60-7", - "name": "silicon dioxide", - "iupac_name": "dioxosilane", - "formula": "O2Si", - "smiles": "O=[Si]=O", - "inchi": "InChI=1S/O2Si/c1-3-2" - }, - "DIPPR107": [ - 30070.878818037076, - 32236.916435481802, - 794.4200483434273, - 21789.014519849, - 332.1921480319817 - ] - }, - { - "identifier": { - "cas": "1484-12-4", - "name": "9-methylcarbazole", - "iupac_name": "9-methylcarbazole", - "formula": "C13H11N", - "smiles": "CN1C2=CC=CC=C2C3=CC=CC=C31", - "inchi": "InChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3" - }, - "DIPPR107": [ - 44826.226625949785, - 490172.2870412962, - 305.9629149590044, - -455315.1824950296, - 369.5156420876224 - ] - }, - { - "identifier": { - "cas": "1486-01-7", - "name": "biphenyl-d10", - "iupac_name": "1,2,3,4,5-pentadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)benzene", - "formula": "C12H10", - "smiles": "C1=CC=C(C=C1)C2=CC=CC=C2", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D" - }, - "DIPPR107": [ - 65530.358344408196, - 455716.33932464285, - 472.6507071034865, - -237851.06693103816, - 562.4138383080789 - ] - }, - { - "identifier": { - "cas": "1493-27-2", - "name": "1-fluoro-2-nitrobenzene", - "iupac_name": "1-fluoro-2-nitrobenzene", - "formula": "C6H4FNO2", - "smiles": "C1=CC=C(C(=C1)[N+](=O)[O-])F", - "inchi": "InChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 49634.706690575425, - 260519.5999876638, - 450.1845056480885, - -129018.21913197299, - 503.5539160166729 - ] - }, - { - "identifier": { - "cas": "14940-63-7", - "name": "water-d1", - "iupac_name": "deuteriooxyhydrogen", - "formula": "H2O", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2/i/hD" - }, - "DIPPR107": [ - 33332.136895347874, - 27264.135536405436, - 2438.584693618088, - 10954.40928616168, - 1080.5599332510722 - ] - }, - { - "identifier": { - "cas": "14940-65-9", - "name": "tritiated water", - "iupac_name": "ditritiooxidane", - "formula": "H2O", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2/i/hT2" - }, - "DIPPR107": [ - 33333.570191635474, - 26873.54778753939, - 1746.5062027057709, - 10679.016852241497, - 780.692479087073 - ] - }, - { - "identifier": { - "cas": "1495-14-3", - "name": "chlorodifluoromethane-d", - "iupac_name": "chloro-deuterio-difluoromethane", - "formula": "CHClF2", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H/i1D" - }, - "DIPPR107": [ - 34366.706857319485, - 71516.91497721653, - 416.8829152548912, - -36037.41522896381, - 456.51030779168656 - ] - }, - { - "identifier": { - "cas": "1495-50-7", - "name": "cyanogen fluoride", - "iupac_name": "carbononitridic fluoride", - "formula": "CFN", - "smiles": "C(#N)F", - "inchi": "InChI=1S/CFN/c2-1-3" - }, - "DIPPR107": [ - 33822.43200348123, - 27974.664183577468, - 514.0257509835268, - -12209.369973423101, - 689.3970844476283 - ] - }, - { - "identifier": { - "cas": "14986-21-1", - "name": "hexachlorodisiloxane", - "iupac_name": "trichloro(trichlorosilyloxy)silane", - "formula": "Cl6OSi2", - "smiles": "O([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl6OSi2/c1-8(2,3)7-9(4,5)6" - }, - "DIPPR107": [ - 107124.2479099857, - 92355.22723580908, - 316.5718881284845, - -16684.147953468113, - 338.16652192120364 - ] - }, - { - "identifier": { - "cas": "14989-13-0", - "name": "trifluorosilane-d", - "iupac_name": "trifluoro-silane-d", - "formula": "HF3Si", - "smiles": "F[SiH](F)F", - "inchi": "InChI=1S/F3HSi/c1-4(2)3/h4H/i4D " - }, - "DIPPR107": [ - 36334.40466149999, - 71212.2223884788, - 365.2632239105136, - -31857.367953647154, - 413.14355199170654 - ] - }, - { - "identifier": { - "cas": "151-56-4", - "name": "aziridine", - "iupac_name": "aziridine", - "formula": "C2H5N", - "smiles": "C1CN1", - "inchi": "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2" - }, - "DIPPR107": [ - 32132.27991722994, - 144908.48383246447, - 742.9560806039123, - -58115.16628608411, - 861.5005015323229 - ] - }, - { - "identifier": { - "cas": "151-67-7", - "name": "halothane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "formula": "C2HBrClF3", - "smiles": "C(C(F)(F)F)(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "DIPPR107": [ - 57221.283711960685, - 122300.61240787392, - 445.9019847666484, - -41787.87452596184, - 523.1234302389231 - ] - }, - { - "identifier": { - "cas": "1511-62-2", - "name": "bromodifluoromethane", - "iupac_name": "bromo(difluoro)methane", - "formula": "CHBrF2", - "smiles": "C(F)(F)Br", - "inchi": "InChI=1S/CHBrF2/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 34800.18416530232, - 68292.87534751918, - 347.1678652079927, - -50584.06349786678, - 402.99667397321616 - ] - }, - { - "identifier": { - "cas": "1528-30-9", - "name": "methylenecyclopentane", - "iupac_name": "methylidenecyclopentane", - "formula": "C6H10", - "smiles": "C=C1CCCC1", - "inchi": "InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2" - }, - "DIPPR107": [ - 47190.672106463266, - 310579.2899799272, - 628.2165469830978, - -143756.36917289434, - 693.5135283360747 - ] - }, - { - "identifier": { - "cas": "1551-21-9", - "name": "isopropyl methyl sulfide", - "iupac_name": "2-methylsulfanylpropane", - "formula": "C4H10S", - "smiles": "CC(C)SC", - "inchi": "InChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3" - }, - "DIPPR107": [ - 55092.50046573129, - 270230.15708290547, - 521.1843617477798, - -168667.2320910606, - 636.074506973362 - ] - }, - { - "identifier": { - "cas": "1551-43-5", - "name": "pentanoic acid, cyclohexyl ester", - "iupac_name": "cyclohexyl pentanoate", - "formula": "C11H20O2", - "smiles": "CCCCC(=O)OC1CCCCC1", - "inchi": "InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3" - }, - "DIPPR107": [ - 118487.08129264285, - 603619.5914203447, - 447.1500037757525, - -472410.70904236316, - 515.7323332878628 - ] - }, - { - "identifier": { - "cas": "1551-44-6", - "name": "cyclohexyl butyrate", - "iupac_name": "cyclohexyl butanoate", - "formula": "C10H18O2", - "smiles": "CCCC(=O)OC1CCCCC1", - "inchi": "InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "DIPPR107": [ - 105168.57610695211, - 551155.0737160735, - 446.5029441962997, - -425921.88188896456, - 513.2515114453386 - ] - }, - { - "identifier": { - "cas": "1552-12-1", - "name": "1,5-cyclooctadiene", - "iupac_name": "(1z,5z)-cycloocta-1,5-diene", - "formula": "C8H12", - "smiles": "C1CC=CCCC=C1", - "inchi": "InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-" - }, - "DIPPR107": [ - 51942.75256132411, - 401499.3352418724, - 496.0310504923875, - -265742.291802191, - 558.2748125460138 - ] - }, - { - "identifier": { - "cas": "15576-81-5", - "name": "diiododimethylsilane", - "iupac_name": "diiodo(dimethyl)silane", - "formula": "C2H6I2Si", - "smiles": "C[Si](C)(I)I", - "inchi": "InChI=1S/C2H6I2Si/c1-5(2,3)4/h1-2H3" - }, - "DIPPR107": [ - 72836.89267929092, - 163705.8207798741, - 493.9739179135546, - -89979.65531908596, - 687.0016745989112 - ] - }, - { - "identifier": { - "cas": "1558-25-4", - "name": "(chloromethyl)trichlorosilane", - "iupac_name": "trichloro(chloromethyl)silane", - "formula": "CH2Cl4Si", - "smiles": "C([Si](Cl)(Cl)Cl)Cl", - "inchi": "InChI=1S/CH2Cl4Si/c2-1-6(3,4)5/h1H2" - }, - "DIPPR107": [ - 70294.20856841902, - 105463.07569995918, - 446.4339812100799, - -33898.844736934014, - 691.4091665851619 - ] - }, - { - "identifier": { - "cas": "1558-67-4", - "name": "formic anhydride", - "iupac_name": "formyl formate", - "formula": "C2H2O3", - "smiles": "C(=O)OC=O", - "inchi": "InChI=1S/C2H2O3/c3-1-5-2-4/h1-2H" - }, - "DIPPR107": [ - 44490.51226891654, - 106936.31220791828, - 514.0706905026806, - -59818.79932950627, - 597.6337125263814 - ] - }, - { - "identifier": { - "cas": "1569-69-3", - "name": "cyclohexanethiol", - "iupac_name": "cyclohexanethiol", - "formula": "C6H12S", - "smiles": "C1CCC(CC1)S", - "inchi": "InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "DIPPR107": [ - 56877.64326230822, - 407647.1737047714, - 546.2678416584986, - -264745.6781330185, - 614.6904545659128 - ] - }, - { - "identifier": { - "cas": "157-18-6", - "name": "oxirene", - "iupac_name": "oxirene", - "formula": "C2H2O", - "smiles": "C1=CO1", - "inchi": "InChI=1S/C2H2O/c1-2-3-1/h1-2H" - }, - "DIPPR107": [ - 33894.30739271908, - 69084.74359718189, - 515.4291941247325, - -31710.79860134868, - 666.5909760365853 - ] - }, - { - "identifier": { - "cas": "157-20-0", - "name": "thiirene", - "iupac_name": "thiirene", - "formula": "C2H2S", - "smiles": "C1=CS1", - "inchi": "InChI=1S/C2H2S/c1-2-3-1/h1-2H" - }, - "DIPPR107": [ - 33702.3138342573, - 69367.1333568992, - 522.6019012540411, - -28668.242551599782, - 691.895042973512 - ] - }, - { - "identifier": { - "cas": "157-21-1", - "name": "silacyclopropane", - "iupac_name": "silirane", - "formula": "C2H6Si", - "smiles": "C1C[SiH2]1", - "inchi": "InChI=1S/C2H6Si/c1-2-3-1/h1-3H2" - }, - "DIPPR107": [ - 34417.55046236926, - 154837.55949503212, - 511.3989489549376, - -76959.44767826256, - 577.440012778973 - ] - }, - { - "identifier": { - "cas": "157-22-2", - "name": "3h-diazirine", - "iupac_name": "3h-diazirine", - "formula": "CH2N2", - "smiles": "C1N=N1", - "inchi": "InChI=1S/CH2N2/c1-2-3-1/h1H2" - }, - "DIPPR107": [ - 37930.6216846168, - 59683.60778301466, - 647.289189570532, - -30528.030966294333, - 537.9420213396384 - ] - }, - { - "identifier": { - "cas": "157-26-6", - "name": "dioxirane", - "iupac_name": "dioxirane", - "formula": "CH2O2", - "smiles": "C1OO1", - "inchi": "InChI=1S/CH2O2/c1-2-3-1/h1H2" - }, - "DIPPR107": [ - 33386.56739460457, - 72155.15510707741, - 716.8803702828346, - -25100.214341682487, - 805.7805330194832 - ] - }, - { - "identifier": { - "cas": "157-40-4", - "name": "spiropentane", - "iupac_name": "spiro[2.2]pentane", - "formula": "C5H8", - "smiles": "C1CC12CC2", - "inchi": "InChI=1S/C5H8/c1-2-5(1)3-4-5/h1-4H2" - }, - "DIPPR107": [ - 36124.668242354215, - 259610.72448864, - 625.009961693817, - -119083.1321505948, - 749.160853634631 - ] - }, - { - "identifier": { - "cas": "1574-41-0", - "name": "cis-1,3-pentadiene", - "iupac_name": "(3z)-penta-1,3-diene", - "formula": "C5H8", - "smiles": "CC=CC=C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-" - }, - "DIPPR107": [ - 50369.603267376646, - 236423.00062306318, - 625.1013156071385, - -117714.7048138293, - 745.3288504017562 - ] - }, - { - "identifier": { - "cas": "1590-87-0", - "name": "chebi:30597", - "iupac_name": "silylsilane", - "formula": "H6Si2", - "smiles": "[SiH3][SiH3]", - "inchi": "InChI=1S/H6Si2/c1-2/h1-2H3" - }, - "DIPPR107": [ - 33032.39999007577, - 143908.22256798518, - 491.5852970806227, - -73050.02811623346, - 666.0161564323411 - ] - }, - { - "identifier": { - "cas": "16029-98-4", - "name": "iodotrimethylsilane", - "iupac_name": "iodo(trimethyl)silane", - "formula": "C3H9ISi", - "smiles": "C[Si](C)(C)I", - "inchi": "InChI=1S/C3H9ISi/c1-5(2,3)4/h1-3H3" - }, - "DIPPR107": [ - 72428.98051923659, - 230212.26823879124, - 536.4078102916445, - -121807.48366707221, - 720.5847479614307 - ] - }, - { - "identifier": { - "cas": "1613-51-0", - "name": "thiane", - "iupac_name": "thiane", - "formula": "C5H10S", - "smiles": "C1CCSCC1", - "inchi": "InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2" - }, - "DIPPR107": [ - 43539.17817668084, - 310647.8731304541, - 457.06795882687857, - -226384.07638856763, - 494.0454795342268 - ] - }, - { - "identifier": { - "cas": "16136-84-8", - "name": "1-propene, 1-chloro-, (z)-", - "iupac_name": "(z)-1-chloroprop-1-ene", - "formula": "C3H5Cl", - "smiles": "CC=CCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2-" - }, - "DIPPR107": [ - 44392.82465426751, - 147796.51226570265, - 672.4458442345111, - -63849.111265553496, - 748.7237946129046 - ] - }, - { - "identifier": { - "cas": "16136-85-9", - "name": "trans-1-chloropropene", - "iupac_name": "(e)-1-chloroprop-1-ene", - "formula": "C3H5Cl", - "smiles": "CC=CCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+" - }, - "DIPPR107": [ - 44392.82465426751, - 145721.32532073266, - 602.3767808507423, - -74511.83247154483, - 683.7061529675209 - ] - }, - { - "identifier": { - "cas": "1628-89-3", - "name": "2-methoxypyridine", - "iupac_name": "2-methoxypyridine", - "formula": "C6H7NO", - "smiles": "COC1=CC=CC=N1", - "inchi": "InChI=1S/C6H7NO/c1-8-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "DIPPR107": [ - 54218.77244019189, - 279891.3635297846, - 520.8577772068852, - -162376.1647652729, - 577.743485937234 - ] - }, - { - "identifier": { - "cas": "1632-89-9", - "name": "1632-89-9", - "iupac_name": "1,2,2,2-tetradeuterioethanone", - "formula": "C2H4O", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3/i1D3,2D" - }, - "DIPPR107": [ - 38314.58343564092, - 108842.60547953923, - 407.1365206130354, - -90053.0470914128, - 476.6919301725637 - ] - }, - { - "identifier": { - "cas": "1632-99-1", - "name": "ethane-d6", - "iupac_name": "1,1,1,2,2,2-hexadeuterioethane", - "formula": "C2H6", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3/i1D3,2D3" - }, - "DIPPR107": [ - 37714.44016838939, - 138922.8529414571, - 1108.805858431184, - 57919.37061995475, - 476.6925886126769 - ] - }, - { - "identifier": { - "cas": "1634-09-9", - "name": "1-butylnaphthalene", - "iupac_name": "1-butylnaphthalene", - "formula": "C14H16", - "smiles": "CCCCC1=CC=CC2=CC=CC=C21", - "inchi": "InChI=1S/C14H16/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-6,8-11H,2-3,7H2,1H3" - }, - "DIPPR107": [ - 59456.13692475267, - 626489.613410711, - 522.6891645618247, - -320634.7068964327, - 655.3548497784866 - ] - }, - { - "identifier": { - "cas": "1638-26-2", - "name": "1,1-dimethylcyclopentane", - "iupac_name": "1,1-dimethylcyclopentane", - "formula": "C7H14", - "smiles": "CC1(CCCC1)C", - "inchi": "InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3" - }, - "DIPPR107": [ - 55807.22580503443, - 425608.00155881705, - 624.4391245374964, - -216072.68305317726, - 722.0567083241804 - ] - }, - { - "identifier": { - "cas": "1639-09-4", - "name": "1-heptanethiol", - "iupac_name": "heptane-1-thiol", - "formula": "C7H16S", - "smiles": "CCCCCCCS", - "inchi": "InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "DIPPR107": [ - 84288.27428480663, - 443628.12565682817, - 518.9826640664634, - -281786.1067085444, - 623.5855648257847 - ] - }, - { - "identifier": { - "cas": "1640-89-7", - "name": "ethylcyclopentane", - "iupac_name": "ethylcyclopentane", - "formula": "C7H14", - "smiles": "CCC1CCCC1", - "inchi": "InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3" - }, - "DIPPR107": [ - 58000.825120779766, - 391663.28166994837, - 438.31594528568814, - -329509.86820290657, - 489.3647972101725 - ] - }, - { - "identifier": { - "cas": "16419-78-6", - "name": "hexadiynedinitrile", - "iupac_name": "hexa-2,4-diynedinitrile", - "formula": "C6N2", - "smiles": "C(#CC#N)C#CC#N", - "inchi": "InChI=1S/C6N2/c7-5-3-1-2-4-6-8" - }, - "DIPPR107": [ - 96696.31739077029, - 87121.99647867479, - 619.6192514991826, - -45490.27386015789, - 606.0356715730735 - ] - }, - { - "identifier": { - "cas": "1649-08-7", - "name": "1,2-dichloro-1,1-difluoroethane", - "iupac_name": "1,2-dichloro-1,1-difluoroethane", - "formula": "C2H2Cl2F2", - "smiles": "C(C(F)(F)Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2" - }, - "DIPPR107": [ - 52768.217681116905, - 123019.84371649515, - 460.99136165521617, - -45571.15257059768, - 573.5792530799196 - ] - }, - { - "identifier": { - "cas": "16491-15-9", - "name": "1,5-dimethylcyclopentene", - "iupac_name": "1,5-dimethylcyclopentene", - "formula": "C7H12", - "smiles": "CC1CCC=C1C", - "inchi": "InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h4,7H,3,5H2,1-2H3" - }, - "DIPPR107": [ - 63877.0265166057, - 368793.02499407966, - 648.8658333344096, - -185770.90370898548, - 749.1684663683693 - ] - }, - { - "identifier": { - "cas": "1664-98-8", - "name": "dideuteriomethanone", - "iupac_name": "dideuteriomethanone", - "formula": "CH2O", - "smiles": "C=O", - "inchi": "InChI=1S/CH2O/c1-2/h1H2/i1D2" - }, - "DIPPR107": [ - 33173.13589518663, - 49528.693321746636, - 1288.221992877248, - 18508.379163719506, - 635.5177346036254 - ] - }, - { - "identifier": { - "cas": "1664-99-9", - "name": "deuterioformaldehyde", - "iupac_name": "formaldehyde-d", - "formula": "CH2O", - "smiles": "O=C", - "inchi": "InChI=1S/CH2O/c1-2/h1H2/i1D" - }, - "DIPPR107": [ - 33241.84084289706, - 50312.30313106656, - 1688.4228358673065, - 31176.693671338857, - 815.0009135150219 - ] - }, - { - "identifier": { - "cas": "16642-68-5", - "name": "diiodomethylsilane", - "iupac_name": "diiodomethyl-silane", - "formula": "CH2O", - "smiles": "I[SiH](I)C", - "inchi": "InChI=1S/CH4I2Si/c1-4(2)3/h4H,1H3" - }, - "DIPPR107": [ - 54418.89712168338, - 117519.72539746389, - 482.2515319849374, - -53910.27561327748, - 688.3618567990446 - ] - }, - { - "identifier": { - "cas": "1665-00-5", - "name": "dichloromethane-d2", - "iupac_name": "dichloro(dideuterio)methane", - "formula": "CH2Cl2", - "smiles": "C(Cl)Cl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2" - }, - "DIPPR107": [ - 35536.62243735121, - 68681.56120824828, - 482.7079079030773, - -29052.001409549477, - 533.3679691541838 - ] - }, - { - "identifier": { - "cas": "16747-38-9", - "name": "16747-38-9", - "iupac_name": "2,3,3,4-tetramethylpentane", - "formula": "C9H20", - "smiles": "CC(C)C(C)(C)C(C)C", - "inchi": "InChI=1S/C9H20/c1-7(2)9(5,6)8(3)4/h7-8H,1-6H3" - }, - "DIPPR107": [ - 92914.6999537607, - 509795.85144963337, - 438.9916487264391, - -370628.087409581, - 507.2309592045031 - ] - }, - { - "identifier": { - "cas": "16747-50-5", - "name": "1-ethyl-1-methylcyclopentane", - "iupac_name": "1-ethyl-1-methylcyclopentane", - "formula": "C8H16", - "smiles": "CCC1(CCCC1)C", - "inchi": "InChI=1S/C8H16/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3" - }, - "DIPPR107": [ - 63933.20208579304, - 446660.7144775926, - 426.2284471483727, - -372799.5166992672, - 484.8850994942296 - ] - }, - { - "identifier": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "formula": "C8H16", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "DIPPR107": [ - 61488.97311623078, - 494548.82848284044, - 586.7953151324102, - -266590.8847384388, - 657.8399421593028 - ] - }, - { - "identifier": { - "cas": "1679-07-8", - "name": "cyclopentanethiol", - "iupac_name": "cyclopentanethiol", - "formula": "C5H10S", - "smiles": "C1CCC(C1)S", - "inchi": "InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "DIPPR107": [ - 53389.495266857215, - 298244.7044516409, - 594.7694904868299, - -154870.93648140944, - 651.8047440240246 - ] - }, - { - "identifier": { - "cas": "1679-09-0", - "name": "2-methyl-2-butanethiol", - "iupac_name": "2-methylbutane-2-thiol", - "formula": "C5H12S", - "smiles": "CCC(C)(C)S", - "inchi": "InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "DIPPR107": [ - 70577.36193714979, - 305831.0086544653, - 508.8671838284514, - -181967.82847649298, - 591.6816656468206 - ] - }, - { - "identifier": { - "cas": "1681-47-6", - "name": "diazene, di(methyl-d3)-", - "iupac_name": "bis(trideuteriomethyl)diazene", - "formula": "C2H6N2", - "smiles": "CN=NC", - "inchi": "InChI=1S/C2H6N2/c1-3-4-2/h1-2H3/i1D3,2D3" - }, - "DIPPR107": [ - 51930.99866352516, - 170789.5760054314, - 493.5591844070659, - -114111.7290361302, - 578.1252382713936 - ] - }, - { - "identifier": { - "cas": "16837-84-6", - "name": "1-deuterio-cyclopropene", - "iupac_name": "cyclopropene-1-d", - "formula": "C3H4", - "smiles": "C1=CC1", - "inchi": "InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2/i1D" - }, - "DIPPR107": [ - 33760.64203553033, - 117225.18744946872, - 604.7246363836178, - -58928.66481432707, - 679.6632212573289 - ] - }, - { - "identifier": { - "cas": "16837-85-7", - "name": "1,2-dideuterio-cyclopropene", - "iupac_name": "cyclopropene-1,2-d2 ", - "formula": "C3H4", - "smiles": "C1=CC1", - "inchi": "InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2/i1D,2D" - }, - "DIPPR107": [ - 33988.88492734371, - 117899.61823440729, - 565.9361703810266, - -63099.78766629505, - 642.14684439071 - ] - }, - { - "identifier": { - "cas": "1684-47-5", - "name": "1684-47-5", - "iupac_name": "1,3,5-trideuteriobenzene", - "formula": "C6H6", - "smiles": "C1=CC=CC=C1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,4D,5D" - }, - "DIPPR107": [ - 35346.27789645515, - 228295.3735638175, - 502.3241531003392, - -119328.05315893795, - 543.5355377165749 - ] - }, - { - "identifier": { - "cas": "1691-17-4", - "name": "1691-17-4", - "iupac_name": "difluoromethoxy(difluoro)methane", - "formula": "C2H2F4O", - "smiles": "C(OC(F)F)(F)F", - "inchi": "InChI=1S/C2H2F4O/c3-1(4)7-2(5)6/h1-2H" - }, - "DIPPR107": [ - 51151.62289404171, - 148302.4627556792, - 413.2146918322719, - -90574.60430046596, - 478.42920930100496 - ] - }, - { - "identifier": { - "cas": "17059-55-1", - "name": "naphthalene, 2-ethyl-7-methyl-", - "iupac_name": "2-ethyl-7-methylnaphthalene", - "formula": "C13H14", - "smiles": "CCC1=CC2=C(C=CC(=C2)C)C=C1", - "inchi": "InChI=1S/C13H14/c1-3-11-5-7-12-6-4-10(2)8-13(12)9-11/h4-9H,3H2,1-2H3" - }, - "DIPPR107": [ - 49544.42352527416, - 572042.9777041419, - 515.5802423278587, - -299577.61556504254, - 663.3224632900148 - ] - }, - { - "identifier": { - "cas": "1708-29-8", - "name": "2,5-dihydrofuran", - "iupac_name": "2,5-dihydrofuran", - "formula": "C4H6O", - "smiles": "C1C=CCO1", - "inchi": "InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2" - }, - "DIPPR107": [ - 40660.26110508024, - 197581.97681219137, - 575.5741704259482, - -107723.28969175908, - 608.7312809984383 - ] - }, - { - "identifier": { - "cas": "1708-32-3", - "name": "2,5-dihydrothiophene", - "iupac_name": "2,5-dihydrothiophene", - "formula": "C4H6S", - "smiles": "C1C=CCS1", - "inchi": "InChI=1S/C4H6S/c1-2-4-5-3-1/h1-2H,3-4H2" - }, - "DIPPR107": [ - 41278.71695295302, - 200824.3432633782, - 554.3013317420463, - -107769.78354738069, - 621.7724726763324 - ] - }, - { - "identifier": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "formula": "C2H3Cl2F", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "DIPPR107": [ - 46826.34116163866, - 121226.15067883764, - 419.85486161657263, - -62263.45432259398, - 479.9465654962588 - ] - }, - { - "identifier": { - "cas": "17222-37-6", - "name": "dimethyl ether-d6", - "iupac_name": "trideuterio(trideuteriomethoxy)methane", - "formula": "C2H6O", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3/i1D3,2D3" - }, - "DIPPR107": [ - 45647.16342560003, - 151142.55312272094, - 496.2220429730317, - -102056.92747919714, - 555.8369510079497 - ] - }, - { - "identifier": { - "cas": "17312-44-6", - "name": "2,3-dimethyldecane", - "iupac_name": "2,3-dimethyldecane", - "formula": "C12H26", - "smiles": "CCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C12H26/c1-5-6-7-8-9-10-12(4)11(2)3/h11-12H,5-10H2,1-4H3" - }, - "DIPPR107": [ - 114751.58858217613, - 665822.6096124824, - 475.5014870198634, - -428250.7538127939, - 540.7370339669399 - ] - }, - { - "identifier": { - "cas": "17312-77-5", - "name": "2,3-dimethylundecane", - "iupac_name": "2,3-dimethylundecane", - "formula": "C13H28", - "smiles": "CCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C13H28/c1-5-6-7-8-9-10-11-13(4)12(2)3/h12-13H,5-11H2,1-4H3" - }, - "DIPPR107": [ - 122877.56486293473, - 712627.4200309052, - 461.2319862873036, - -472897.2875599187, - 523.3643687758811 - ] - }, - { - "identifier": { - "cas": "1735-17-7", - "name": "cyclohexane-d12", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexane", - "formula": "C6H12", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2" - }, - "DIPPR107": [ - 45738.66673784062, - 364617.2025655913, - 416.3471253005199, - -264357.58347788453, - 463.184592575874 - ] - }, - { - "identifier": { - "cas": "1741-83-9", - "name": "amyl methyl sulfide", - "iupac_name": "1-methylsulfanylpentane", - "formula": "C6H14S", - "smiles": "CCCCCSC", - "inchi": "InChI=1S/C6H14S/c1-3-4-5-6-7-2/h3-6H2,1-2H3" - }, - "DIPPR107": [ - 70607.42522666292, - 404566.13167120673, - 535.3244965393143, - -256726.05482409272, - 657.5277244579777 - ] - }, - { - "identifier": { - "cas": "174501-64-5", - "name": "1-butyl-3-methylimidazolium hexafluorophosphate", - "iupac_name": "1-butyl-3-methylimidazol-3-ium hexafluorophosphate", - "formula": "C8H15F6N2P", - "smiles": "CCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F", - "inchi": "InChI=1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1" - }, - "DIPPR107": [ - 107687.06448495398, - 570221.9564499116, - 753.9888461955262, - 265374.07786784496, - 262.9413729782842 - ] - }, - { - "identifier": { - "cas": "1746-01-6", - "name": "2,3,7,8-tetrachlorodibenzo-p-dioxin", - "iupac_name": "2,3,7,8-tetrachlorodibenzo-p-dioxin", - "formula": "C12H4Cl4O2", - "smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl", - "inchi": "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H" - }, - "DIPPR107": [ - 105936.51560628424, - 418281.0047374685, - 493.8482209025981, - -170750.34133908644, - 593.87953071635 - ] - }, - { - "identifier": { - "cas": "1759-53-1", - "name": "cyclopropanecarboxylic acid", - "iupac_name": "cyclopropanecarboxylic acid", - "formula": "C4H6O2", - "smiles": "C1CC1C(=O)O", - "inchi": "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" - }, - "DIPPR107": [ - 52300.13038011319, - 206515.4545048156, - 469.78662336282673, - -146434.64965057131, - 528.3897371545206 - ] - }, - { - "identifier": { - "cas": "1759-58-6", - "name": "trans-1,3-dimethylcyclopentane", - "iupac_name": "trans-(1r,3r)-1,3-dimethylcyclopentane", - "formula": "C7H14", - "smiles": "CC1CCC(C1)C", - "inchi": "InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1" - }, - "DIPPR107": [ - 62690.17338380742, - 418610.3222029281, - 647.1397514066034, - -204773.9012917892, - 747.3761709097467 - ] - }, - { - "identifier": { - "cas": "1759-81-5", - "name": "4-methylcyclopentene", - "iupac_name": "4-methylcyclopentene", - "formula": "C6H10", - "smiles": "CC1CC=CC1", - "inchi": "InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3" - }, - "DIPPR107": [ - 49951.7060606715, - 311972.0246497973, - 657.93599350567, - -151111.0779086143, - 742.213203097134 - ] - }, - { - "identifier": { - "cas": "1779-19-7", - "name": "1,3,6-trioxocane", - "iupac_name": "1,3,6-trioxocane", - "formula": "C5H10O3", - "smiles": "C1COCOCCO1", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5-8-4-2-6-1/h1-5H2" - }, - "DIPPR107": [ - 50982.38067154906, - 354613.1922793876, - 492.6856067388542, - -231271.13248289216, - 559.2783632449924 - ] - }, - { - "identifier": { - "cas": "18081-45-3", - "name": "dideuteriomethylsilane", - "iupac_name": "methylsilane-d2", - "formula": "CH6Si", - "smiles": "C[SiH3]", - "inchi": "InChI=1S/CH6Si/c1-2/h1-2H3/i2D2" - }, - "DIPPR107": [ - 33390.250822773174, - 138312.07490770932, - 487.7591639680733, - -78154.28854902569, - 620.4726800073771 - ] - }, - { - "identifier": { - "cas": "18089-64-0", - "name": "18089-64-0", - "iupac_name": "iodomethylsilane", - "formula": "CH5ISi", - "smiles": "C([SiH3])I", - "inchi": "InChI=1S/CH5ISi/c2-1-3/h1H2,3H3" - }, - "DIPPR107": [ - 41571.65, - 129164.75761312908, - 1219.0233651859126, - 94995.32260208763, - 488.3604305199347 - ] - }, - { - "identifier": { - "cas": "18089-71-9", - "name": "deuteriomethylsilane", - "iupac_name": "methyl-silane-d", - "formula": "CH6Si", - "smiles": "C[SiH3]", - "inchi": "InChI=1S/CH6Si/c1-2/h1-2H3/i2D" - }, - "DIPPR107": [ - 32957.66795226028, - 140310.9298708793, - 546.8677940215755, - -76918.97039093889, - 692.1033332447017 - ] - }, - { - "identifier": { - "cas": "1814-88-6", - "name": "1,1,1,2,2-pentafluoropropane", - "iupac_name": "1,1,1,2,2-pentafluoropropane", - "formula": "C3H3F5", - "smiles": "CC(C(F)(F)F)(F)F", - "inchi": "InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3" - }, - "DIPPR107": [ - 58313.0188203902, - 184068.2182562235, - 413.43643967674944, - -99987.08471891124, - 474.2163760846364 - ] - }, - { - "identifier": { - "cas": "18157-07-8", - "name": "chloromethyl-trideuterio-silane", - "iupac_name": "chloromethyl-silane-d3", - "formula": "CH5ClSi", - "smiles": "ClC[SiH3]", - "inchi": "InChI=1S/CH5ClSi/c2-1-3/h1H2,3H3/i3D3" - }, - "DIPPR107": [ - 39534.24155490072, - 135912.80405436666, - 488.875073316652, - -56949.6917999707, - 641.0244918027562 - ] - }, - { - "identifier": { - "cas": "18162-40-8", - "name": "triiodomethylsilane", - "iupac_name": "triiodomethyl-silane", - "formula": "CH3I3Si", - "smiles": "I[Si](I)(I)C", - "inchi": "InChI=1S/CH3I3Si/c1-5(2,3)4/h1H3" - }, - "DIPPR107": [ - 41571.65, - 94177.97520835366, - 297.330075067, - 53554.05814896556, - 1754.171537699073 - ] - }, - { - "identifier": { - "cas": "18172-67-3", - "name": "(-)-beta-pinene", - "iupac_name": "(1s,5s)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "formula": "C10H16", - "smiles": "CC1(C2CCC(=C)C1C2)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1" - }, - "DIPPR107": [ - 62412.88001040006, - 474046.17971992877, - 414.5646251355417, - -352189.24946388765, - 467.0444601939132 - ] - }, - { - "identifier": { - "cas": "1822-74-8", - "name": "1822-74-8", - "iupac_name": "methylsulfanylethene", - "formula": "C3H6S", - "smiles": "CSC=C", - "inchi": "InChI=1S/C3H6S/c1-3-4-2/h3H,1H2,2H3" - }, - "DIPPR107": [ - 41665.73029759373, - 160055.21917192618, - 474.3006264614989, - -100091.86239076623, - 551.3529788175099 - ] - }, - { - "identifier": { - "cas": "1825-31-6", - "name": "1,4-dichloronaphthalene", - "iupac_name": "1,4-dichloronaphthalene", - "formula": "C10H6Cl2", - "smiles": "C1=CC=C2C(=C1)C(=CC=C2Cl)Cl", - "inchi": "InChI=1S/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H" - }, - "DIPPR107": [ - 54698.37520074731, - 358509.5512015147, - 476.8128882907674, - -165406.8953743658, - 575.4460870860652 - ] - }, - { - "identifier": { - "cas": "18297-18-2", - "name": "silyl isothiocyanate-d3", - "iupac_name": "isothiocyanato-silane-d3", - "formula": "CH3NSSi", - "smiles": "S=C=N[SiH3]", - "inchi": "InChI=1S/CH3NSSi/c3-1-2-4/h4H3/i4D3" - }, - "DIPPR107": [ - 49416.6812842846, - 107110.4512492777, - 442.063077133801, - -45952.14721275382, - 533.6822110062443 - ] - }, - { - "identifier": { - "cas": "1838-13-7", - "name": "dimethylaminoborane", - "iupac_name": "n-boranyl-n-methylmethanamine", - "formula": "C2H6BN", - "smiles": "[B]N(C)C", - "inchi": "InChI=1S/C2H6BN/c1-4(2)3/h1-2H3" - }, - "DIPPR107": [ - 224032.67345748915, - 140900.7805508925, - 1501.882129959017, - -326050.7279541192, - 220.6222990437496 - ] - }, - { - "identifier": { - "cas": "18435-45-5", - "name": "1-nonadecene", - "iupac_name": "nonadec-1-ene", - "formula": "C19H38", - "smiles": "CCCCCCCCCCCCCCCCCC=C", - "inchi": "InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3" - }, - "DIPPR107": [ - 165595.60085952177, - 1107242.200115896, - 528.6977545871097, - -654388.0960476681, - 679.3432357606225 - ] - }, - { - "identifier": { - "cas": "1849-29-2", - "name": "1849-29-2", - "iupac_name": "trideuteriomethanol", - "formula": "CH4O", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i1D3" - }, - "DIPPR107": [ - 37661.67492361008, - 85514.23305326569, - 1238.3580433152858, - 36428.011712913365, - 589.248920653994 - ] - }, - { - "identifier": { - "cas": "1861-05-8", - "name": "bromo(~2~h_1_)methane", - "iupac_name": "bromo(deuterio)methane", - "formula": "CH3Br", - "smiles": "CBr", - "inchi": "InChI=1S/CH3Br/c1-2/h1H3/i1D" - }, - "DIPPR107": [ - 33416.468475834336, - 66253.39466726736, - 590.3157303388905, - -37451.32638578667, - 636.1233461208706 - ] - }, - { - "identifier": { - "cas": "1868-53-7", - "name": "fluorodibromomethane", - "iupac_name": "dibromo(fluoro)methane", - "formula": "CHBr2F", - "smiles": "C(F)(Br)Br", - "inchi": "InChI=1S/CHBr2F/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 35132.80932413518, - 67385.16311370875, - 275.9890124871885, - -49226.71872845354, - 355.0361738747927 - ] - }, - { - "identifier": { - "cas": "18715-02-1", - "name": "1,2-dioxin, 3,6-dihydro-", - "iupac_name": "3,6-dihydro-1,2-dioxine", - "formula": "C4H6O2", - "smiles": "C1C=CCOO1", - "inchi": "InChI=1S/C4H6O2/c1-2-4-6-5-3-1/h1-2H,3-4H2" - }, - "DIPPR107": [ - 37583.0288326707, - 229377.3834952456, - 511.9163370555305, - -141496.34706249172, - 571.4347306838604 - ] - }, - { - "identifier": { - "cas": "18881-04-4", - "name": "(s)-cis-verbenol", - "iupac_name": "(1s,2s,5s)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol", - "formula": "C10H16O", - "smiles": "CC1=CC(C2CC1C2(C)C)O", - "inchi": "InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1" - }, - "DIPPR107": [ - 70000.29136335157, - 481715.59524916444, - 395.0714675061272, - -351975.58235344285, - 461.2661657912455 - ] - }, - { - "identifier": { - "cas": "19270-08-7", - "name": "trifluoro-silane-d", - "iupac_name": "trifluoro-silane-d", - "formula": "HF3Si", - "smiles": "trifluoro-silane-d", - "inchi": "InChI=1S/F3HSi/c1-4(2)3/h4H/i4D" - }, - "DIPPR107": [ - 49465.3180311305, - 191436.4418360661, - 555.2002318706724, - -75900.9273839987, - 628.2724345961448 - ] - }, - { - "identifier": { - "cas": "19274-14-7", - "name": "isoxazole-d3", - "iupac_name": "3,4,5-trideuterio-1,2-oxazole", - "formula": "C3H3NO", - "smiles": "C1=CON=C1", - "inchi": "InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H/i1D,2D,3D" - }, - "DIPPR107": [ - 33509.40353126517, - 146899.98044136158, - 525.9346816598609, - -70518.98842350313, - 560.4673911331894 - ] - }, - { - "identifier": { - "cas": "19550-48-2", - "name": "1,4-dimethylcyclopentene", - "iupac_name": "1,4-dimethylcyclopentene", - "formula": "C7H12", - "smiles": "CC1CC=C(C1)C", - "inchi": "InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3,7H,4-5H2,1-2H3" - }, - "DIPPR107": [ - 63877.0265166057, - 367766.5704780993, - 646.4955975214814, - -186140.29470240514, - 743.2033147031386 - ] - }, - { - "identifier": { - "cas": "1956-79-2", - "name": "silane, (chloromethyl)trifluoro-", - "iupac_name": "chloromethyl(trifluoro)silane", - "formula": "CH2ClF3Si", - "smiles": "C([Si](F)(F)F)Cl", - "inchi": "InChI=1S/CH2ClF3Si/c2-1-6(3,4)5/h1H2" - }, - "DIPPR107": [ - 59117.082715762794, - 116350.2268925594, - 475.15036877828334, - -37848.218689303576, - 663.0919192275169 - ] - }, - { - "identifier": { - "cas": "2003-82-9", - "name": "propyne, 1-bromo-", - "iupac_name": "1-bromoprop-1-yne", - "formula": "C3H3Br", - "smiles": "CC#CBr", - "inchi": "InChI=1S/C3H3Br/c1-2-3-4/h1H3" - }, - "DIPPR107": [ - 57668.79404089544, - 97197.55991815533, - 683.5153302585537, - -48124.521083659754, - 818.0894738686698 - ] - }, - { - "identifier": { - "cas": "2004-70-8", - "name": "1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "formula": "C5H8", - "smiles": "CC=CC=C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "DIPPR107": [ - 50369.603267376646, - 233373.0048766908, - 575.8841814556935, - -118294.65097851373, - 716.7829464989676 - ] - }, - { - "identifier": { - "cas": "2027-19-2", - "name": "2-propylnaphthalene", - "iupac_name": "2-propylnaphthalene", - "formula": "C13H14", - "smiles": "CCCC1=CC2=CC=CC=C2C=C1", - "inchi": "InChI=1S/C13H14/c1-2-5-11-8-9-12-6-3-4-7-13(12)10-11/h3-4,6-10H,2,5H2,1H3" - }, - "DIPPR107": [ - 51330.16064399407, - 569477.0994086587, - 523.0161872167026, - -292385.72131882136, - 661.8705977727892 - ] - }, - { - "identifier": { - "cas": "2039-82-9", - "name": "4-bromostyrene", - "iupac_name": "1-bromo-4-ethenylbenzene", - "formula": "C8H7Br", - "smiles": "C=CC1=CC=C(C=C1)Br", - "inchi": "InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2" - }, - "DIPPR107": [ - 62131.04679018232, - 293717.8484796999, - 462.0782179979301, - -176224.1522992556, - 539.835461204469 - ] - }, - { - "identifier": { - "cas": "2039-85-2", - "name": "3-chlorostyrene", - "iupac_name": "1-chloro-3-ethenylbenzene", - "formula": "C8H7Cl", - "smiles": "C=CC1=CC(=CC=C1)Cl", - "inchi": "InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2" - }, - "DIPPR107": [ - 57918.38474425882, - 297325.7899595453, - 457.5136912133941, - -178551.97041473282, - 531.3714358189272 - ] - }, - { - "identifier": { - "cas": "2039-86-3", - "name": "3-bromostyrene", - "iupac_name": "1-bromo-3-ethenylbenzene", - "formula": "C8H7Br", - "smiles": "C=CC1=CC(=CC=C1)Br", - "inchi": "InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2" - }, - "DIPPR107": [ - 61801.97778857215, - 293393.9214929625, - 455.3648412331346, - -179801.7848051771, - 526.4299498593986 - ] - }, - { - "identifier": { - "cas": "2039-87-4", - "name": "2-chlorostyrene", - "iupac_name": "1-chloro-2-ethenylbenzene", - "formula": "C8H7Cl", - "smiles": "C=CC1=CC=CC=C1Cl", - "inchi": "InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2" - }, - "DIPPR107": [ - 58439.434759109456, - 297053.17062033626, - 462.16943342107663, - -174495.8572240355, - 536.5788121480964 - ] - }, - { - "identifier": { - "cas": "2039-88-5", - "name": "2-bromostyrene", - "iupac_name": "1-bromo-2-ethenylbenzene", - "formula": "C8H7Br", - "smiles": "C=CC1=CC=CC=C1Br", - "inchi": "InChI=1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2" - }, - "DIPPR107": [ - 60627.70307556411, - 294662.5939572803, - 454.6436218180438, - -175359.6232662061, - 529.7310241129269 - ] - }, - { - "identifier": { - "cas": "20396-66-1", - "name": "trideuterioborane", - "iupac_name": "trideuterioborane", - "formula": "B2H6", - "smiles": "B.B", - "inchi": "InChI=1S/2BH3/h2*1H3/i2*1D3" - }, - "DIPPR107": [ - 36150.41848273828, - 146593.4792540181, - 1136.3456941415857, - 87383.3683621345, - 528.5402796629024 - ] - }, - { - "identifier": { - "cas": "20470-98-8", - "name": "6,6-dichloro-6h-dibenzo[c,e][1,2]oxasiline", - "iupac_name": "6,6-dichloro-6h-dibenz[c,e][1,2]oxasilin", - "formula": "C12H8Cl2OSi", - "smiles": "Cl[Si]1(Cl)OC=2C=CC=CC2C=3C=CC=CC31", - "inchi": "InChI=1S/C12H8Cl2OSi/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16/h1-8H" - }, - "DIPPR107": [ - 91030.28103057707, - 475888.2720330948, - 543.6639562047168, - -187091.02920637262, - 653.4385347184332 - ] - }, - { - "identifier": { - "cas": "2050-68-2", - "name": "4,4'-dichlorobiphenyl", - "iupac_name": "1-chloro-4-(4-chlorophenyl)benzene", - "formula": "C12H8Cl2", - "smiles": "C1=CC(=CC=C1C2=CC=C(C=C2)Cl)Cl", - "inchi": "InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H" - }, - "DIPPR107": [ - 58949.71330226212, - 440839.1079718567, - 473.3728439052082, - -199799.50035209072, - 562.6186079987267 - ] - }, - { - "identifier": { - "cas": "2053-29-4", - "name": "methyleneimine", - "iupac_name": "methanimine", - "formula": "CH3N", - "smiles": "C=N", - "inchi": "InChI=1S/CH3N/c1-2/h2H,1H2" - }, - "DIPPR107": [ - 33307.23778241209, - 73216.21476749887, - 1823.5238150425948, - 44986.296283321506, - 857.3981082992681 - ] - }, - { - "identifier": { - "cas": "20686-67-3", - "name": "20686-67-3", - "iupac_name": "2-chlorocyclobutan-1-one", - "formula": "C4H5ClO", - "smiles": "C1CC(=O)C1Cl", - "inchi": "InChI=1S/C4H5ClO/c5-3-1-2-4(3)6/h3H,1-2H2" - }, - "DIPPR107": [ - 45834.31127110556, - 189518.52918598554, - 590.7727268898324, - -79422.70823520709, - 651.1152671105357 - ] - }, - { - "identifier": { - "cas": "2131-18-2", - "name": "pentadecylbenzene", - "iupac_name": "pentadecylbenzene", - "formula": "C21H36", - "smiles": "CCCCCCCCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3" - }, - "DIPPR107": [ - 143200.66778335962, - 1138730.571426735, - 525.6009509476442, - -649909.8458279904, - 670.840788919107 - ] - }, - { - "identifier": { - "cas": "217-59-4", - "name": "triphenylene", - "iupac_name": "triphenylene", - "formula": "C18H12", - "smiles": "C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24", - "inchi": "InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H" - }, - "DIPPR107": [ - 49296.42331273713, - 637252.9097098042, - 440.4586469227792, - -427284.1328828545, - 486.38249641468167 - ] - }, - { - "identifier": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "formula": "C14H22", - "smiles": "CCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "DIPPR107": [ - 86318.83381804943, - 724448.2896240659, - 531.000534665665, - -405286.09217620216, - 671.6098374000322 - ] - }, - { - "identifier": { - "cas": "2199-69-1", - "name": "1,2-dichlorobenzene-d4", - "iupac_name": "1,2-dichloro-3,4,5,6-tetradeuteriobenzene", - "formula": "C6H4Cl2", - "smiles": "C1=CC=C(C(=C1)Cl)Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D" - }, - "DIPPR107": [ - 49250.65995232682, - 224397.75234428846, - 426.1959497897672, - -111888.6353778528, - 498.830669308555 - ] - }, - { - "identifier": { - "cas": "2199-76-0", - "name": "pentachloro-deuterio-benzene", - "iupac_name": "pentachloro-benzene-d", - "formula": "C6HCl5", - "smiles": "ClC=1C=C(Cl)C(Cl)=C(Cl)C1Cl", - "inchi": "InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H/i1D" - }, - "DIPPR107": [ - 74516.30236275069, - 205207.04210635627, - 361.0534007444661, - -97725.8322555815, - 443.4167060374402 - ] - }, - { - "identifier": { - "cas": "2207-01-4", - "name": "cis-1,2-dimethylcyclohexane", - "iupac_name": "cis-(1s,2r)-1,2-dimethylcyclohexane", - "formula": "C8H16", - "smiles": "CC1CCCCC1C", - "inchi": "InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+" - }, - "DIPPR107": [ - 66178.32137925843, - 488099.32879924675, - 557.5793261564328, - -301183.16431533557, - 616.2177682951485 - ] - }, - { - "identifier": { - "cas": "2207-03-6", - "name": "trans-1,3-dimethylcyclohexane", - "iupac_name": "trans-(1r,3r)-1,3-dimethylcyclohexane", - "formula": "C8H16", - "smiles": "CC1CCCC(C1)C", - "inchi": "InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1" - }, - "DIPPR107": [ - 66178.32137925843, - 494615.48651490954, - 607.400957524071, - -260652.50069011629, - 690.3129872206641 - ] - }, - { - "identifier": { - "cas": "2207-04-7", - "name": "1,4-dimethylcyclohexane", - "iupac_name": "1,4-dimethylcyclohexane", - "formula": "C8H16", - "smiles": "CC1CCC(CC1)C", - "inchi": "InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3" - }, - "DIPPR107": [ - 66178.32137925843, - 488441.30849162035, - 564.0848367110929, - -288326.9030504947, - 621.2424415649522 - ] - }, - { - "identifier": { - "cas": "2207-64-9", - "name": "cyclopropane-d6", - "iupac_name": "1,1,2,2,3,3-hexadeuteriocyclopropane", - "formula": "C3H6", - "smiles": "C1CC1", - "inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2/i1D2,2D2,3D2" - }, - "DIPPR107": [ - 33805.46841698115, - 164658.25396416002, - 574.8029617652354, - -73660.83819078867, - 685.4890065109672 - ] - }, - { - "identifier": { - "cas": "22090-73-9", - "name": "boron chloride fluoride 10", - "iupac_name": "dichlorofluoro-borane-10b", - "formula": "BCl2F", - "smiles": "FB(Cl)Cl", - "inchi": "InChI=1S/BCl2F/c2-1(3)4/i1-1" - }, - "DIPPR107": [ - 34794.82830185957, - 47778.31559244041, - 317.75348915082435, - -20959.62982011034, - 411.6659425134495 - ] - }, - { - "identifier": { - "cas": "22090-74-0", - "name": "boron chloride fluoride 11", - "iupac_name": "dichlorofluoro-borane-11b", - "formula": "BCl2F", - "smiles": "FB(Cl)Cl", - "inchi": "InChI=1S/BCl2F/c2-1(3)4/i1+0" - }, - "DIPPR107": [ - 35256.63145953194, - 47597.39361623297, - 316.7703581358474, - -21008.881114553507, - 372.0895074736176 - ] - }, - { - "identifier": { - "cas": "22090-75-1", - "name": "dibromofluoro-borane-10b", - "iupac_name": "dibromofluoro-borane-10b", - "formula": "BBr2F", - "smiles": "FB(Br)Br", - "inchi": "InChI=1S/BBr2F/c2-1(3)4/i1-1" - }, - "DIPPR107": [ - 38534.683413469436, - 44419.82123214653, - 700.44021352059, - 33619.16914193559, - 300.8228303169911 - ] - }, - { - "identifier": { - "cas": "22090-76-2", - "name": "dibromofluoro-borane-11b", - "iupac_name": "dibromofluoro-borane-11b", - "formula": "BBr2F", - "smiles": "FB(Br)Br", - "inchi": "InChI=1S/BBr2F/c2-1(3)4/i1+0" - }, - "DIPPR107": [ - 0.007456954874815509, - 82242.72535614786, - 123.68734688220518, - -45301.88422620642, - 235.4303196185444 - ] - }, - { - "identifier": { - "cas": "22090-77-3", - "name": "boron chloride fluoride 10", - "iupac_name": "chlorodifluoro-borane-10b", - "formula": "BClF2", - "smiles": "FB(F)Cl", - "inchi": "InChI=1S/BClF2/c2-1(3)4/i1-1" - }, - "DIPPR107": [ - 34038.037685019764, - 48910.960672743604, - 817.7108581496063, - 31652.575070144252, - 360.233372825554 - ] - }, - { - "identifier": { - "cas": "22090-78-4", - "name": "boron chloride fluoride 11b", - "iupac_name": "chlorodifluoro-borane-11b", - "formula": "BClF2", - "smiles": "FB(F)Cl", - "inchi": "InChI=1S/BClF2/c2-1(3)4/i1+0" - }, - "DIPPR107": [ - 34054.97447084068, - 49108.19274577389, - 377.0615750163644, - -22148.72759814278, - 438.52653975953433 - ] - }, - { - "identifier": { - "cas": "22090-79-5", - "name": "dibromochloro-borane-10b", - "iupac_name": "dibromochloro-borane-10b", - "formula": "BBr2Cl", - "smiles": "ClB(Br)Br", - "inchi": "InChI=1S/BBr2Cl/c2-1(3)4/i1-1" - }, - "DIPPR107": [ - 28338.441392584456, - 54640.8268408611, - 190.96084206323735, - -26334.359721531284, - 274.38132130796333 - ] - }, - { - "identifier": { - "cas": "22090-80-8", - "name": "dibromochloro-borane-11b", - "iupac_name": "dibromochloro-borane-11b", - "formula": "BBr2Cl", - "smiles": "ClB(Br)Br", - "inchi": "InChI=1S/BBr2Cl/c2-1(3)4/i1+0" - }, - "DIPPR107": [ - 32703.223418261947, - 50334.31367867205, - 204.81651639112545, - -24034.146230927527, - 276.49255573808955 - ] - }, - { - "identifier": { - "cas": "22090-81-9", - "name": "bromodifluoro-borane-10b", - "iupac_name": "bromodifluoro-borane-10b", - "formula": "BBrF2", - "smiles": "FB(F)Br", - "inchi": "InChI=1S/BBrF2/c2-1(3)4/i1-1" - }, - "DIPPR107": [ - 35004.969886453335, - 47987.23477930894, - 820.86359972234, - 34448.64741811574, - 349.51927557433066 - ] - }, - { - "identifier": { - "cas": "22090-82-0", - "name": "bromodifluoro-borane-11b", - "iupac_name": "bromodifluoro-borane-11b", - "formula": "BBrF2", - "smiles": "FB(F)Br", - "inchi": "InChI=1S/BBrF2/c2-1(3)4/i1+0" - }, - "DIPPR107": [ - 34688.08794097379, - 48396.86589316403, - 350.59669962889217, - -22315.735669487265, - 428.0772508980276 - ] - }, - { - "identifier": { - "cas": "22090-83-1", - "name": "bromodichloro-borane-10b", - "iupac_name": "bromodichloro-borane-10b", - "formula": "BBrCl2", - "smiles": "ClB(Cl)Br", - "inchi": "InChI=1S/BBrCl2/c2-1(3)4/i1-1" - }, - "DIPPR107": [ - 38072.77596209978, - 45027.93290779916, - 596.6784616374962, - 31595.98949190197, - 260.4200484061133 - ] - }, - { - "identifier": { - "cas": "22090-84-2", - "name": "bromodichloro-borane-11b", - "iupac_name": "bromodichloro-borane-11b", - "formula": "BBrCl2", - "smiles": "ClB(Cl)Br", - "inchi": "InChI=1S/BBrCl2/c2-1(3)4/i1+0" - }, - "DIPPR107": [ - 0.19598187393627714, - 83034.98421456756, - 132.28532888277522, - -34662.88770321899, - 262.64607801916014 - ] - }, - { - "identifier": { - "cas": "22117-86-8", - "name": "dibromomethane-d2", - "iupac_name": "dibromo(dideuterio)methane", - "formula": "CH2Br2", - "smiles": "C(Br)Br", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2/i1D2" - }, - "DIPPR107": [ - 38201.28908490453, - 66227.45327699614, - 464.8255686407791, - -26039.549474099527, - 543.3746599049025 - ] - }, - { - "identifier": { - "cas": "2235-08-7", - "name": "but-3-ynenitrile", - "iupac_name": "but-3-ynenitrile", - "formula": "C4H3N", - "smiles": "C#CCC#N", - "inchi": "InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2" - }, - "DIPPR107": [ - 43497.102869752765, - 128799.75340809356, - 425.28555598036667, - -87547.23004597193, - 548.1444469317265 - ] - }, - { - "identifier": { - "cas": "2237-14-1", - "name": "2,5-cyclohexadiene-1,4-dione-2,3,5,6-d4", - "iupac_name": "2,3,5,6-tetradeuteriocyclohexa-2,5-diene-1,4-dione", - "formula": "C6H4O2", - "smiles": "C1=CC(=O)C=CC1=O", - "inchi": "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D" - }, - "DIPPR107": [ - 40052.22769397489, - 228511.4090564317, - 351.09720815805696, - -161075.1672224995, - 410.48177215429615 - ] - }, - { - "identifier": { - "cas": "2253-83-0", - "name": "methane-d, dibromo-", - "iupac_name": "dibromo(deuterio)methane", - "formula": "CH2Br2", - "smiles": "C(Br)Br", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2/i1D" - }, - "DIPPR107": [ - 38236.56259181628, - 63721.808732358986, - 469.8473071286628, - -29860.49631934114, - 539.0016882953759 - ] - }, - { - "identifier": { - "cas": "229-87-8", - "name": "phenanthridine", - "iupac_name": "phenanthridine", - "formula": "C13H9N", - "smiles": "C1=CC=C2C(=C1)C=NC3=CC=CC=C23", - "inchi": "InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H" - }, - "DIPPR107": [ - 40227.62723068646, - 460588.9453500976, - 327.59733611932825, - -395762.25405340403, - 379.09327670002966 - ] - }, - { - "identifier": { - "cas": "2311-14-0", - "name": "1,1,1-tribromoethane", - "iupac_name": "1,1,1-tribromoethane", - "formula": "C2H3Br3", - "smiles": "CC(Br)(Br)Br", - "inchi": "InChI=1S/C2H3Br3/c1-2(3,4)5/h1H3" - }, - "DIPPR107": [ - 53300.78141067011, - 121040.25356511837, - 378.3572727447488, - -79139.29569634651, - 511.2534828444902 - ] - }, - { - "identifier": { - "cas": "2314-97-8", - "name": "trifluoromethyl iodide", - "iupac_name": "trifluoro(iodo)methane", - "formula": "CF3I", - "smiles": "C(F)(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "DIPPR107": [ - 33775.231950324494, - 75154.13854304171, - 268.0785623358253, - -53075.951700924365, - 348.3147712478047 - ] - }, - { - "identifier": { - "cas": "2317-91-1", - "name": "1-chloro-1-fluoroethene", - "iupac_name": "1-chloro-1-fluoroethene", - "formula": "C2H2ClF", - "smiles": "C=C(F)Cl", - "inchi": "InChI=1S/C2H2ClF/c1-2(3)4/h1H2" - }, - "DIPPR107": [ - 36479.30136096776, - 91281.53086085539, - 487.78316749360977, - -42996.80379923829, - 598.1181474972994 - ] - }, - { - "identifier": { - "cas": "23178-62-3", - "name": "dideuterio(difluoro)silane", - "iupac_name": "difluoro-silane-d2", - "formula": "H2F2Si", - "smiles": "F[SiH2]F", - "inchi": "InChI=1S/F2H2Si/c1-3-2/h3H2/i3D2" - }, - "DIPPR107": [ - 34814.02525112348, - 72937.85038245693, - 442.98265635654826, - -28640.13035927289, - 493.3411538570464 - ] - }, - { - "identifier": { - "cas": "23550-45-0", - "name": "disulfur", - "iupac_name": "disulfur", - "formula": "S2", - "smiles": "S=S", - "inchi": "InChI=1S/S2/c1-2" - }, - "DIPPR107": [ - 29631.528753496532, - 8340.530004741195, - 1247.603531163629, - 9156.151883111792, - 581.7907418133519 - ] - }, - { - "identifier": { - "cas": "2367-82-0", - "name": "1,2,3,5-tetrafluorobenzene", - "iupac_name": "1,2,3,5-tetrafluorobenzene", - "formula": "C6H2F4", - "smiles": "C1=C(C=C(C(=C1F)F)F)F", - "inchi": "InChI=1S/C6H2F4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H" - }, - "DIPPR107": [ - 51560.062501205546, - 225977.651381845, - 453.5320848314179, - -96951.43919071618, - 556.6390284009467 - ] - }, - { - "identifier": { - "cas": "2373-00-4", - "name": "1,3,5,7-tetrathiocane", - "iupac_name": "1,3,5,7-tetrathiocane", - "formula": "C4H8S4", - "smiles": "C1SCSCSCS1", - "inchi": "InChI=1S/C4H8S4/c1-5-2-7-4-8-3-6-1/h1-4H2" - }, - "DIPPR107": [ - 70693.85192605859, - 291290.4575678992, - 460.58366095086194, - -166718.10494993502, - 558.069209009374 - ] - }, - { - "identifier": { - "cas": "24331-09-7", - "name": "methanetetracarbonitrile", - "iupac_name": "methanetetracarbonitrile", - "formula": "C5N4", - "smiles": "C(#N)C(C#N)(C#N)C#N", - "inchi": "InChI=1S/C5N4/c6-1-5(2-7,3-8)4-9" - }, - "DIPPR107": [ - 81312.53853218124, - 127838.37493080007, - 553.0459557369867, - -25865.972781026707, - 631.8917383387716 - ] - }, - { - "identifier": { - "cas": "2437-56-1", - "name": "1-tridecene", - "iupac_name": "tridec-1-ene", - "formula": "C13H26", - "smiles": "CCCCCCCCCCCC=C", - "inchi": "InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3" - }, - "DIPPR107": [ - 116839.74317497018, - 752066.5525115704, - 534.8638529752611, - -443741.74911059195, - 684.1010249485021 - ] - }, - { - "identifier": { - "cas": "2441-21-6", - "name": "iododimethyl-silane", - "iupac_name": "iododimethyl-silane", - "formula": "C2H7ISi", - "smiles": "I[SiH](C)C", - "inchi": "InChI=1S/C2H7ISi/c1-4(2)3/h4H,1-2H3" - }, - "DIPPR107": [ - 54010.98496162903, - 182343.39756825202, - 511.8456596862429, - -99420.79429090313, - 691.917344325455 - ] - }, - { - "identifier": { - "cas": "2441-22-7", - "name": "bromodimethylsilane", - "iupac_name": "bromodimethyl-silane", - "formula": "C2H7BrSi", - "smiles": "Br[SiH](C)C", - "inchi": "InChI=1S/C2H7BrSi/c1-4(2)3/h4H,1-2H3" - }, - "DIPPR107": [ - 52983.697500275055, - 183239.43314105444, - 511.81972243496375, - -100715.0066431236, - 688.7172141151765 - ] - }, - { - "identifier": { - "cas": "2441-24-9", - "name": "dibromomethylsilane", - "iupac_name": "dibromomethyl-silane", - "formula": "CH4Br2Si", - "smiles": "Br[SiH](Br)C", - "inchi": "InChI=1S/CH4Br2Si/c1-4(2)3/h4H,1H3" - }, - "DIPPR107": [ - 52364.322198975424, - 119527.41928267431, - 483.69428049134353, - -56180.85450747586, - 685.4564055848703 - ] - }, - { - "identifier": { - "cas": "2532-58-3", - "name": "cis-1,3-dimethylcyclopentane", - "iupac_name": "cis-(1s,3r)-1,3-dimethylcyclopentane", - "formula": "C7H14", - "smiles": "CC1CCC(C1)C", - "inchi": "InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7+" - }, - "DIPPR107": [ - 62690.17338380742, - 414648.24368460826, - 625.114791193303, - -215089.67482435578, - 713.3637276631767 - ] - }, - { - "identifier": { - "cas": "2551-62-4", - "name": "sulfur hexafluoride", - "iupac_name": "hexafluoro-lambda6-sulfane", - "formula": "F6S", - "smiles": "FS(F)(F)(F)(F)F", - "inchi": "InChI=1S/F6S/c1-7(2,3,4,5)6" - }, - "DIPPR107": [ - 36569.970592092206, - 107458.11672136253, - 401.48787545557707, - 27452.3894224148, - 1330.1018955930354 - ] - }, - { - "identifier": { - "cas": "2565-30-2", - "name": "formyl chloride", - "iupac_name": "formyl chloride", - "formula": "CHClO", - "smiles": "C(=O)Cl", - "inchi": "InChI=1S/CHClO/c2-1-3/h1H" - }, - "DIPPR107": [ - 33785.40729074686, - 48011.34720211733, - 487.23634051092, - -28883.316193479797, - 648.1674384127234 - ] - }, - { - "identifier": { - "cas": "25681-79-2", - "name": "disodium", - "iupac_name": "sodiosodium", - "formula": "Na2", - "smiles": "[Na].[Na]", - "inchi": "InChI=1S/2Na" - }, - "DIPPR107": [ - 36982.89050019034, - 4030.13833094673, - 1938.3776283790423, - 2346.4779972834613, - 685.1232972412084 - ] - }, - { - "identifier": { - "cas": "25733-05-5", - "name": "lithium cyanide", - "iupac_name": "lithium cyanide", - "formula": "CLiN", - "smiles": "[Li+][N]#[C-]", - "inchi": "InChI=1S/CN.Li/c1-2;/q-1;+1" - }, - "DIPPR107": [ - 35560.60184233821, - 18302.733703707647, - 1186.908247601429, - 12319.5492500674, - 450.25578976079726 - ] - }, - { - "identifier": { - "cas": "25899-50-7", - "name": "2-pentenenitrile, (z)-", - "iupac_name": "(z)-pent-2-enenitrile", - "formula": "C5H7N", - "smiles": "CCC=CC#N", - "inchi": "InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3-" - }, - "DIPPR107": [ - 60527.31917982657, - 220557.20864832564, - 565.6978550996399, - -120578.71021731594, - 646.7423466995691 - ] - }, - { - "identifier": { - "cas": "260-94-6", - "name": "acridine", - "iupac_name": "acridine", - "formula": "C13H9N", - "smiles": "C1=CC=C2C(=C1)C=C3C=CC=CC3=N2", - "inchi": "InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H" - }, - "DIPPR107": [ - 43365.85363058042, - 454970.3283210617, - 316.64872219126323, - -426731.948548402, - 370.0978481070276 - ] - }, - { - "identifier": { - "cas": "26028-32-0", - "name": "cyclopropene-3,3-d2", - "iupac_name": "cyclopropene-3,3-d2", - "formula": "C3H4", - "smiles": "C1=CC1", - "inchi": "InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2/i3D2" - }, - "DIPPR107": [ - 33650.582091801516, - 119439.32975272657, - 620.0456838008062, - -48598.78045748136, - 711.8444988928028 - ] - }, - { - "identifier": { - "cas": "26028-33-1", - "name": "cyclopropene-d4", - "iupac_name": "cyclopropene-d4", - "formula": "C3H4", - "smiles": "C1=CC1", - "inchi": "InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2/i1D,2D,3D2" - }, - "DIPPR107": [ - 34051.27547848007, - 122816.666973539, - 551.215490419316, - -59420.342255782976, - 653.4529630235677 - ] - }, - { - "identifier": { - "cas": "262-12-4", - "name": "dibenzo-p-dioxin", - "iupac_name": "dibenzo-p-dioxin", - "formula": "C12H8O2", - "smiles": "C1=CC=C2C(=C1)OC3=CC=CC=C3O2", - "inchi": "InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H" - }, - "DIPPR107": [ - 72567.77891131343, - 446431.26732830185, - 587.8012408172043, - -175585.30562811595, - 687.6587694700809 - ] - }, - { - "identifier": { - "cas": "2691-41-0", - "name": "octogen", - "iupac_name": "1,3,5,7-tetranitro-1,3,5,7-tetrazocane", - "formula": "C4H8N8O8", - "smiles": "C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]", - "inchi": "InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2" - }, - "DIPPR107": [ - 127025.71981396282, - 540392.7791020127, - 453.8157586589063, - -349233.7429370764, - 524.1961762894613 - ] - }, - { - "identifier": { - "cas": "2696-92-6", - "name": "nitrosyl chloride", - "iupac_name": "nitrosyl chloride", - "formula": "ClNO", - "smiles": "N(=O)Cl", - "inchi": "InChI=1S/ClNO/c1-2-3" - }, - "DIPPR107": [ - 57202.49277278693, - 6751.273712937385, - 2836.7954122149004, - -29206.844144071023, - 309.64623999924873 - ] - }, - { - "identifier": { - "cas": "275-51-4", - "name": "azulene", - "iupac_name": "azulene", - "formula": "C10H8", - "smiles": "C1=CC=C2C=CC=C2C=C1", - "inchi": "InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H" - }, - "DIPPR107": [ - 38014.00685326191, - 353306.78906703263, - 443.1990824673808, - -230904.29559705962, - 490.05489413601 - ] - }, - { - "identifier": { - "cas": "2765-18-6", - "name": "1-propylnaphthalene", - "iupac_name": "1-propylnaphthalene", - "formula": "C13H14", - "smiles": "CCCC1=CC=CC2=CC=CC=C21", - "inchi": "InChI=1S/C13H14/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-5,7-10H,2,6H2,1H3" - }, - "DIPPR107": [ - 51330.16064399407, - 569850.2918973378, - 523.5324284276163, - -288950.00000949367, - 659.3604153596374 - ] - }, - { - "identifier": { - "cas": "2781-85-3", - "name": "cyclopropene", - "iupac_name": "cyclopropene", - "formula": "C3H4", - "smiles": "C1C=C1", - "inchi": "InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2" - }, - "DIPPR107": [ - 33766.822178353985, - 122382.63283010965, - 699.0471835345519, - -54987.10064233498, - 850.4237002397794 - ] - }, - { - "identifier": { - "cas": "279-23-2", - "name": "bicyclo[2.2.1]heptane", - "iupac_name": "bicyclo[2.2.1]heptane", - "formula": "C7H12", - "smiles": "C1CC2CCC1C2", - "inchi": "InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2" - }, - "DIPPR107": [ - 38897.38499363674, - 376391.7470178724, - 517.2403471739389, - -230320.16520850174, - 548.3429259879138 - ] - }, - { - "identifier": { - "cas": "280-33-1", - "name": "bicyclo[2.2.2]octane", - "iupac_name": "bicyclo[2.2.2]octane", - "formula": "C8H14", - "smiles": "C1CC2CCC1CC2", - "inchi": "InChI=1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2" - }, - "DIPPR107": [ - 42385.53298908776, - 442078.4130988862, - 460.59871316793385, - -344197.83998599096, - 503.10205480029873 - ] - }, - { - "identifier": { - "cas": "281-23-2", - "name": "adamantane", - "iupac_name": "adamantane", - "formula": "C10H16", - "smiles": "C1C2CC3CC1CC(C2)C3", - "inchi": "InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2" - }, - "DIPPR107": [ - 44223.39368648959, - 522450.094680016, - 500.366224389257, - -344346.5368656657, - 537.8259334318342 - ] - }, - { - "identifier": { - "cas": "2837-89-0", - "name": "2-chloro-1,1,1,2-tetrafluoroethane", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "formula": "C2HClF4", - "smiles": "C(C(F)(F)F)(F)Cl", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "DIPPR107": [ - 51635.52784491561, - 126603.26343836737, - 438.51944000078777, - -47619.54507682894, - 503.5630971818637 - ] - }, - { - "identifier": { - "cas": "2857-97-8", - "name": "bromotrimethylsilane", - "iupac_name": "bromo(trimethyl)silane", - "formula": "C3H9BrSi", - "smiles": "C[Si](C)(C)Br", - "inchi": "InChI=1S/C3H9BrSi/c1-5(2,3)4/h1-3H3" - }, - "DIPPR107": [ - 71401.6930578826, - 231302.45552132823, - 529.4418690992846, - -125720.1377272998, - 715.2365290685757 - ] - }, - { - "identifier": { - "cas": "287-12-7", - "name": "tricyclo[3.1.0.02,6]hexane", - "iupac_name": "tricyclo[3.1.0.02,6]hexane", - "formula": "C6H8", - "smiles": "C1CC2C3C1C23", - "inchi": "InChI=1S/C6H8/c1-2-4-5-3(1)6(4)5/h3-6H,1-2H2" - }, - "DIPPR107": [ - 30270.80170468556, - 299765.21854463813, - 647.5798728015872, - -127823.01988790071, - 807.8836980320215 - ] - }, - { - "identifier": { - "cas": "287-23-0", - "name": "cyclobutane", - "iupac_name": "cyclobutane", - "formula": "C4H8", - "smiles": "C1CCC1", - "inchi": "InChI=1S/C4H8/c1-2-4-3-1/h1-4H2" - }, - "DIPPR107": [ - 38383.414056730966, - 225785.1077596643, - 639.5390957077224, - -118221.11440452888, - 682.040252574389 - ] - }, - { - "identifier": { - "cas": "287-27-4", - "name": "thietane", - "iupac_name": "thietane", - "formula": "C3H6S", - "smiles": "C1CSC1", - "inchi": "InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2" - }, - "DIPPR107": [ - 39746.769171744396, - 177763.30175631875, - 626.6191306919384, - -87990.20742003963, - 677.7083734397893 - ] - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "formula": "C5H10", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "DIPPR107": [ - 39447.52971772869, - 302819.48591622966, - 650.4532811310941, - -159946.26583982835, - 713.7362291382528 - ] - }, - { - "identifier": { - "cas": "2873-50-9", - "name": "butatriene", - "iupac_name": "buta-1,2,3-triene", - "formula": "C4H4", - "smiles": "C=C=C=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1-2H2" - }, - "DIPPR107": [ - 43741.081174233645, - 126136.00610183529, - 421.1416465500871, - -91318.76355800805, - 544.3877167255189 - ] - }, - { - "identifier": { - "cas": "288-13-1", - "name": "pyrazole", - "iupac_name": "1h-pyrazole", - "formula": "C3H4N2", - "smiles": "C1=CNN=C1", - "inchi": "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)" - }, - "DIPPR107": [ - 32418.79010745549, - 158512.25073087972, - 535.2443136934924, - -87513.13216502682, - 551.8418849937462 - ] - }, - { - "identifier": { - "cas": "288-14-2", - "name": "isoxazole", - "iupac_name": "1,2-oxazole", - "formula": "C3H3NO", - "smiles": "C1=CON=C1", - "inchi": "InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H" - }, - "DIPPR107": [ - 33520.522114227264, - 143372.36690659195, - 620.74240697786, - -58438.29029579169, - 651.2316512183875 - ] - }, - { - "identifier": { - "cas": "288-16-4", - "name": "isothiazole", - "iupac_name": "1,2-thiazole", - "formula": "C3H3NS", - "smiles": "C1=CSN=C1", - "inchi": "InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H" - }, - "DIPPR107": [ - 33625.557317850755, - 143356.57382175475, - 560.2206125175344, - -65254.738566904256, - 607.0660167273633 - ] - }, - { - "identifier": { - "cas": "288-42-6", - "name": "oxazole", - "iupac_name": "1,3-oxazole", - "formula": "C3H3NO", - "smiles": "C1=COC=N1", - "inchi": "InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H" - }, - "DIPPR107": [ - 33511.77406019319, - 144421.0699237791, - 624.7516757694528, - -57281.67172983437, - 676.7379752651966 - ] - }, - { - "identifier": { - "cas": "288-47-1", - "name": "thiazole", - "iupac_name": "1,3-thiazole", - "formula": "C3H3NS", - "smiles": "C1=CSC=N1", - "inchi": "InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H" - }, - "DIPPR107": [ - 33760.080090265306, - 142766.18804112807, - 553.9662328017024, - -60439.58887214972, - 624.6153121900255 - ] - }, - { - "identifier": { - "cas": "288-94-8", - "name": "1h-tetrazole", - "iupac_name": "2h-tetrazole", - "formula": "CH2N4", - "smiles": "C1=NNN=N1", - "inchi": "InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)" - }, - "DIPPR107": [ - 33469.342277189826, - 115014.3918103142, - 521.2023557243186, - -69898.22153643162, - 512.178820585131 - ] - }, - { - "identifier": { - "cas": "289-14-5", - "name": "1,2,4-trioxolane", - "iupac_name": "1,2,4-trioxolane", - "formula": "C2H4O3", - "smiles": "C1OCOO1", - "inchi": "InChI=1S/C2H4O3/c1-3-2-5-4-1/h1-2H2" - }, - "DIPPR107": [ - 39087.85497041445, - 159338.73751683196, - 551.3272277531457, - -91390.1119336061, - 587.5803571333726 - ] - }, - { - "identifier": { - "cas": "289-16-7", - "name": "1,2,4-trithiolane", - "iupac_name": "1,2,4-trithiolane", - "formula": "C2H4S3", - "smiles": "C1SCSS1", - "inchi": "InChI=1S/C2H4S3/c1-3-2-5-4-1/h1-2H2" - }, - "DIPPR107": [ - 46024.21094799284, - 151760.55701672178, - 490.709426546412, - -88356.80984962838, - 565.2471429481748 - ] - }, - { - "identifier": { - "cas": "290-67-5", - "name": "1,4-dioxin", - "iupac_name": "1,4-dioxine", - "formula": "C4H4O2", - "smiles": "C1=COC=CO1", - "inchi": "InChI=1S/C4H4O2/c1-2-6-4-3-5-1/h1-4H" - }, - "DIPPR107": [ - 40385.3863310506, - 179347.5368392983, - 545.0054507737665, - -86177.47273155345, - 603.0387598554805 - ] - }, - { - "identifier": { - "cas": "290-79-9", - "name": "1,4-dithiin", - "iupac_name": "1,4-dithiine", - "formula": "C4H4S2", - "smiles": "C1=CSC=CS1", - "inchi": "InChI=1S/C4H4S2/c1-2-6-4-3-5-1/h1-4H" - }, - "DIPPR107": [ - 51438.578153307426, - 169395.25541217055, - 494.6918551736711, - -97453.18615705751, - 562.1288090125765 - ] - }, - { - "identifier": { - "cas": "290-87-9", - "name": "1,3,5-triazine", - "iupac_name": "1,3,5-triazine", - "formula": "C3H3N3", - "smiles": "C1=NC=NC=N1", - "inchi": "InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H" - }, - "DIPPR107": [ - 36002.369066098676, - 162884.5070750658, - 504.0302713664711, - -100715.85426201709, - 538.2314330861207 - ] - }, - { - "identifier": { - "cas": "2909-52-6", - "name": "bromoform-d", - "iupac_name": "tribromo(deuterio)methane", - "formula": "CHBr3", - "smiles": "C(Br)(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H/i1D" - }, - "DIPPR107": [ - 51695.932653046875, - 55582.40482290308, - 471.9877487728547, - -12425.951599326481, - 648.2426709247437 - ] - }, - { - "identifier": { - "cas": "291-21-4", - "name": "1,3,5-trithiane", - "iupac_name": "1,3,5-trithiane", - "formula": "C3H6S3", - "smiles": "C1SCSCS1", - "inchi": "InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2" - }, - "DIPPR107": [ - 51396.47144255293, - 216026.5673538887, - 472.9491822002069, - -123789.62776421227, - 564.668608692598 - ] - }, - { - "identifier": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "formula": "C7H14", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "DIPPR107": [ - 51031.473612210095, - 421759.50599019206, - 510.4287396797203, - -290996.81437805475, - 565.3862960201258 - ] - }, - { - "identifier": { - "cas": "291-70-3", - "name": "oxepin", - "iupac_name": "oxepine", - "formula": "C6H6O", - "smiles": "C1=CC=COC=C1", - "inchi": "InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H" - }, - "DIPPR107": [ - 39469.32393778627, - 250683.77118572715, - 505.94238773739175, - -158531.0393494465, - 559.3281448485823 - ] - }, - { - "identifier": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "formula": "C8H16", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "DIPPR107": [ - 63789.711782344326, - 478146.6456878078, - 520.8602182810026, - -346110.92192947614, - 574.2228326156583 - ] - }, - { - "identifier": { - "cas": "293-30-1", - "name": "1,3,5,7-tetroxocane", - "iupac_name": "1,3,5,7-tetraoxocane", - "formula": "C4H8O4", - "smiles": "C1OCOCOCO1", - "inchi": "InChI=1S/C4H8O4/c1-5-2-7-4-8-3-6-1/h1-4H2" - }, - "DIPPR107": [ - 49249.25468349834, - 312321.99905676354, - 484.1787663122831, - -218090.9922691707, - 549.7664815835357 - ] - }, - { - "identifier": { - "cas": "3017-23-0", - "name": "hydrocyanic acid-d", - "iupac_name": "(2h)formonitrile", - "formula": "CHN", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H/i1D" - }, - "DIPPR107": [ - 29215.476132585438, - 35236.27914989156, - 1377.389377301712, - 24654.96541979045, - 486.7209055551772 - ] - }, - { - "identifier": { - "cas": "302-01-2", - "name": "hydrazine", - "iupac_name": "hydrazine", - "formula": "H4N2", - "smiles": "NN", - "inchi": "InChI=1S/H4N2/c1-2/h1-2H2" - }, - "DIPPR107": [ - 240473.09260366246, - 152018.44644986454, - 1243.3786059647823, - -1425577.20420176, - 33549.2064512635 - ] - }, - { - "identifier": { - "cas": "30213-29-7", - "name": "cis-3,5-dimethylcyclopentene", - "iupac_name": "(3r,5s)-3,5-dimethylcyclopentene", - "formula": "C7H12", - "smiles": "CC1CC(C=C1)C", - "inchi": "InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+" - }, - "DIPPR107": [ - 62767.030604457745, - 369365.3682046109, - 651.1619633183449, - -179537.696744309, - 751.8118683952146 - ] - }, - { - "identifier": { - "cas": "306-83-2", - "name": "2,2-dichloro-1,1,1-trifluoroethane", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "formula": "C2HCl2F3", - "smiles": "C(C(F)(F)F)(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "DIPPR107": [ - 54888.02556347442, - 125339.17048160489, - 398.8717524020776, - -60063.608458529874, - 461.9895716744249 - ] - }, - { - "identifier": { - "cas": "3074-71-3", - "name": "2,3-dimethylheptane", - "iupac_name": "2,3-dimethylheptane", - "formula": "C9H20", - "smiles": "CCCCC(C)C(C)C", - "inchi": "InChI=1S/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3" - }, - "DIPPR107": [ - 90373.65973990034, - 547578.4300183068, - 545.6256814145452, - -332846.8939621922, - 645.2591350655515 - ] - }, - { - "identifier": { - "cas": "31032-94-7", - "name": "2-ethyl-3-methylnaphthalene", - "iupac_name": "2-ethyl-3-methylnaphthalene", - "formula": "C13H14", - "smiles": "CCC1=CC2=CC=CC=C2C=C1C", - "inchi": "InChI=1S/C13H14/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2/h4-9H,3H2,1-2H3" - }, - "DIPPR107": [ - 49544.42352527416, - 571366.9201656966, - 512.3246144152981, - -308226.1940952483, - 657.2473449713806 - ] - }, - { - "identifier": { - "cas": "3114-55-4", - "name": "chlorobenzene-d5", - "iupac_name": "1-chloro-2,3,4,5,6-pentadeuteriobenzene", - "formula": "C6H5Cl", - "smiles": "C1=CC=C(C=C1)Cl", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D" - }, - "DIPPR107": [ - 43850.986303059966, - 228980.7347772769, - 464.156601592403, - -111063.48632943047, - 527.9471073037166 - ] - }, - { - "identifier": { - "cas": "3129-90-6", - "name": "isothiocyanic acid", - "iupac_name": "isothiocyanic acid", - "formula": "CHNS", - "smiles": "C(=N)=S", - "inchi": "InChI=1S/CHNS/c2-1-3/h2H" - }, - "DIPPR107": [ - 36525.69599160504, - 41135.51145295718, - 595.1153869549918, - -12424.68027358927, - 715.4587872354 - ] - }, - { - "identifier": { - "cas": "3141-27-3", - "name": "2,5-dibromothiophene", - "iupac_name": "2,5-dibromothiophene", - "formula": "C4H2Br2S", - "smiles": "C1=C(SC(=C1)Br)Br", - "inchi": "InChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H" - }, - "DIPPR107": [ - 53745.75845660295, - 144924.66350710375, - 417.0495599565488, - -63925.00526828284, - 487.2899661880807 - ] - }, - { - "identifier": { - "cas": "3161-99-7", - "name": "triacetylene", - "iupac_name": "hexa-1,3,5-triyne", - "formula": "C6H2", - "smiles": "C#CC#CC#C", - "inchi": "InChI=1S/C6H2/c1-3-5-6-4-2/h1-2H" - }, - "DIPPR107": [ - 68438.3928516767, - 115822.00278358161, - 565.4206044252484, - -51762.10441891662, - 838.7546515332335 - ] - }, - { - "identifier": { - "cas": "3172-52-9", - "name": "2,5-dichlorothiophene", - "iupac_name": "2,5-dichlorothiophene", - "formula": "C4H2Cl2S", - "smiles": "C1=C(SC(=C1)Cl)Cl", - "inchi": "InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H" - }, - "DIPPR107": [ - 49079.24215963042, - 150272.25092918603, - 418.80443024643074, - -67338.64955886289, - 486.5321985081495 - ] - }, - { - "identifier": { - "cas": "3174-74-1", - "name": "3,6-dihydro-2h-pyran", - "iupac_name": "3,6-dihydro-2h-pyran", - "formula": "C5H8O", - "smiles": "C1COCC=C1", - "inchi": "InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2" - }, - "DIPPR107": [ - 41361.7564461862, - 270886.4333932093, - 523.9577634512569, - -173117.52715703595, - 578.1653169203397 - ] - }, - { - "identifier": { - "cas": "3187-94-8", - "name": "2-chlorofuran", - "iupac_name": "2-chlorofuran", - "formula": "C4H3ClO", - "smiles": "C1=COC(=C1)Cl", - "inchi": "InChI=1S/C4H3ClO/c5-4-2-1-3-6-4/h1-3H" - }, - "DIPPR107": [ - 39715.356753616135, - 156659.24237304225, - 435.32348497786313, - -101153.48715530091, - 471.9980415984827 - ] - }, - { - "identifier": { - "cas": "319-88-0", - "name": "1,3,5-trichloro-2,4,6-trifluorobenzene", - "iupac_name": "1,3,5-trichloro-2,4,6-trifluorobenzene", - "formula": "C6Cl3F3", - "smiles": "C1(=C(C(=C(C(=C1Cl)F)Cl)F)Cl)F", - "inchi": "InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11" - }, - "DIPPR107": [ - 71789.79905301334, - 210575.5622069359, - 368.4652565707793, - -92387.00893793203, - 464.7985991743693 - ] - }, - { - "identifier": { - "cas": "321-38-0", - "name": "1-fluoronaphthalene", - "iupac_name": "1-fluoronaphthalene", - "formula": "C10H7F", - "smiles": "C1=CC=C2C(=C1)C=CC=C2F", - "inchi": "InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "DIPPR107": [ - 42810.82282268223, - 367955.05202816933, - 503.8433969562407, - -171923.7446956731, - 592.1492673191161 - ] - }, - { - "identifier": { - "cas": "3221-61-2", - "name": "2-methyloctane", - "iupac_name": "2-methyloctane", - "formula": "C9H20", - "smiles": "CCCCCCC(C)C", - "inchi": "InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3" - }, - "DIPPR107": [ - 89636.63193931476, - 515164.23736513546, - 455.5655423678796, - -382067.20900979155, - 533.4914029387018 - ] - }, - { - "identifier": { - "cas": "323-09-1", - "name": "2-fluoronaphthalene", - "iupac_name": "2-fluoronaphthalene", - "formula": "C10H7F", - "smiles": "C1=CC=C2C=C(C=CC2=C1)F", - "inchi": "InChI=1S/C10H7F/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H" - }, - "DIPPR107": [ - 42810.82282268223, - 367885.94336950587, - 497.90591943283465, - -172720.03319230973, - 590.7687158641576 - ] - }, - { - "identifier": { - "cas": "3238-40-2", - "name": "2,5-furandicarboxylic acid", - "iupac_name": "furan-2,5-dicarboxylic acid", - "formula": "C6H4O5", - "smiles": "C1=C(OC(=C1)C(=O)O)C(=O)O", - "inchi": "InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)" - }, - "DIPPR107": [ - 70864.48533384301, - 262312.054773825, - 441.5004248146614, - -133939.18673752405, - 528.1630315296077 - ] - }, - { - "identifier": { - "cas": "32460-00-7", - "name": "2,5-dibromofuran", - "iupac_name": "2,5-dibromofuran", - "formula": "C4H2Br2O", - "smiles": "C1=C(OC(=C1)Br)Br", - "inchi": "InChI=1S/C4H2Br2O/c5-3-1-2-4(6)7-3/h1-2H" - }, - "DIPPR107": [ - 52724.05722433137, - 145863.5625350701, - 423.8678357040923, - -79242.01155470972, - 474.0694835615281 - ] - }, - { - "identifier": { - "cas": "32597-32-3", - "name": "deca-1,3,5,7,9-pentayne", - "iupac_name": "deca-1,3,5,7,9-pentayne", - "formula": "C10H2", - "smiles": "C#CC#CC#CC#CC#C", - "inchi": "InChI=1S/C10H2/c1-3-5-7-9-10-8-6-4-2/h1-2H" - }, - "DIPPR107": [ - 121929.04041771493, - 162708.88684197274, - 664.7404291260685, - -66342.86290706381, - 925.0902197381054 - ] - }, - { - "identifier": { - "cas": "3268-87-9", - "name": "octachlorodibenzo-p-dioxin", - "iupac_name": "1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin", - "formula": "C12Cl8O2", - "smiles": "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl", - "inchi": "InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10" - }, - "DIPPR107": [ - 139305.25230125507, - 392512.81734267593, - 407.9236446527692, - -160434.69102499326, - 490.602001208906 - ] - }, - { - "identifier": { - "cas": "327-54-8", - "name": "1,2,4,5-tetrafluorobenzene", - "iupac_name": "1,2,4,5-tetrafluorobenzene", - "formula": "C6H2F4", - "smiles": "C1=C(C(=CC(=C1F)F)F)F", - "inchi": "InChI=1S/C6H2F4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H" - }, - "DIPPR107": [ - 51560.062501205546, - 226338.7300570831, - 454.6496738611579, - -96592.46874006093, - 563.9710287813439 - ] - }, - { - "identifier": { - "cas": "33021-02-2", - "name": "33021-02-2", - "iupac_name": "2-methyl-1-[(2-methylpropan-2-yl)oxy]propane", - "formula": "C8H18O", - "smiles": "CC(C)COC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3" - }, - "DIPPR107": [ - 88074.17085121444, - 473753.20800529176, - 439.744915647552, - -369331.7575834039, - 523.2031910323781 - ] - }, - { - "identifier": { - "cas": "334-88-3", - "name": "diazomethane", - "iupac_name": "diazomethane", - "formula": "CH2N2", - "smiles": "C=[N+]=[N-]", - "inchi": "InChI=1S/CH2N2/c1-3-2/h1H2" - }, - "DIPPR107": [ - 34876.251088076424, - 70259.6046323206, - 1264.9333793785047, - 44168.16712374805, - 473.8239060506115 - ] - }, - { - "identifier": { - "cas": "33576-05-5", - "name": "propynylboron difluoride", - "iupac_name": "difluoro-1-propyn-1-yl-borane", - "formula": "C3H3BF2", - "smiles": "FB(F)C#CC", - "inchi": "InChI=1S/C3H3BF2/c1-2-3-4(5)6/h1H3" - }, - "DIPPR107": [ - 63954.63801887219, - 133248.690743012, - 675.7209969943732, - -52173.26375530691, - 771.0985412409369 - ] - }, - { - "identifier": { - "cas": "336-50-5", - "name": "336-50-5", - "iupac_name": "1,1,2,2-tetrachloro-3,3,4,4-tetrafluorocyclobutane", - "formula": "C4Cl4F4", - "smiles": "C1(C(C(C1(Cl)Cl)(Cl)Cl)(F)F)(F)F", - "inchi": "InChI=1S/C4Cl4F4/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "DIPPR107": [ - 71931.12386345955, - 203593.44281813386, - 322.36546200833914, - -79106.48639730192, - 388.5121399029351 - ] - }, - { - "identifier": { - "cas": "34322-11-7", - "name": "hydrogen peroxide-d1", - "iupac_name": "hydrogen-d peroxide", - "formula": "H2O2", - "smiles": "O(O)[2H]", - "inchi": "InChI=1S/H2O2/c1-2/h1-2H/i/hD" - }, - "DIPPR107": [ - 34668.85786056665, - 39464.237384222935, - 1116.2727680400872, - 21862.866664265795, - 460.1282687884571 - ] - }, - { - "identifier": { - "cas": "344-04-7", - "name": "bromopentafluorobenzene", - "iupac_name": "1-bromo-2,3,4,5,6-pentafluorobenzene", - "formula": "C6BrF5", - "smiles": "C1(=C(C(=C(C(=C1F)F)Br)F)F)F", - "inchi": "InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "DIPPR107": [ - 67032.32079285482, - 218326.59842477634, - 384.5516404185277, - -95328.80603445173, - 499.2102004728235 - ] - }, - { - "identifier": { - "cas": "344-07-0", - "name": "chloropentafluorobenzene", - "iupac_name": "1-chloro-2,3,4,5,6-pentafluorobenzene", - "formula": "C6ClF5", - "smiles": "C1(=C(C(=C(C(=C1F)F)Cl)F)F)F", - "inchi": "InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "DIPPR107": [ - 64699.06264436855, - 220561.20601101202, - 386.07017547751457, - -96148.41346675293, - 497.991073993798 - ] - }, - { - "identifier": { - "cas": "3452-07-1", - "name": "1-eicosene", - "iupac_name": "icos-1-ene", - "formula": "C20H40", - "smiles": "CCCCCCCCCCCCCCCCCCC=C", - "inchi": "InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3" - }, - "DIPPR107": [ - 173721.57714028037, - 1166773.0230702446, - 528.7084152131342, - -688233.8652302881, - 679.9570916047315 - ] - }, - { - "identifier": { - "cas": "348-51-6", - "name": "1-chloro-2-fluorobenzene", - "iupac_name": "1-chloro-2-fluorobenzene", - "formula": "C6H4ClF", - "smiles": "C1=CC=C(C(=C1)F)Cl", - "inchi": "InChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "DIPPR107": [ - 45224.99904281698, - 217252.33507884247, - 434.4209636211937, - -123340.38611597425, - 490.1446108570248 - ] - }, - { - "identifier": { - "cas": "348-52-7", - "name": "1-fluoro-2-iodobenzene", - "iupac_name": "1-fluoro-2-iodobenzene", - "formula": "C6H4FI", - "smiles": "C1=CC=C(C(=C1)F)I", - "inchi": "InChI=1S/C6H4FI/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "DIPPR107": [ - 48872.34437652756, - 219884.2506870987, - 438.57308453540935, - -128544.55959749744, - 501.43251008028665 - ] - }, - { - "identifier": { - "cas": "348-54-9", - "name": "2-fluoroaniline", - "iupac_name": "2-fluoroaniline", - "formula": "C6H6FN", - "smiles": "C1=CC=C(C(=C1)N)F", - "inchi": "InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2" - }, - "DIPPR107": [ - 41925.4308417594, - 269318.0188895316, - 524.654562512853, - -110588.42823471459, - 625.032759457634 - ] - }, - { - "identifier": { - "cas": "350-46-9", - "name": "p-fluoronitrobenzene", - "iupac_name": "1-fluoro-4-nitrobenzene", - "formula": "C6H4FNO2", - "smiles": "C1=CC(=CC=C1[N+](=O)[O-])F", - "inchi": "InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 49634.706690575425, - 260177.906004241, - 450.60935404538185, - -128063.69613040026, - 502.00118522451226 - ] - }, - { - "identifier": { - "cas": "350-51-6", - "name": "3-fluorostyrene", - "iupac_name": "1-ethenyl-3-fluorobenzene", - "formula": "C8H7F", - "smiles": "C=CC1=CC(=CC=C1)F", - "inchi": "InChI=1S/C8H7F/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2" - }, - "DIPPR107": [ - 54176.477354830386, - 295351.29741354013, - 469.6926626832003, - -185377.2224155269, - 532.5402074601473 - ] - }, - { - "identifier": { - "cas": "352-32-9", - "name": "4-fluorotoluene", - "iupac_name": "1-fluoro-4-methylbenzene", - "formula": "C7H7F", - "smiles": "CC1=CC=C(C=C1)F", - "inchi": "InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "DIPPR107": [ - 48310.99109264133, - 292281.0512885616, - 485.2199449327888, - -194478.72897482183, - 560.7638313468279 - ] - }, - { - "identifier": { - "cas": "352-33-0", - "name": "1-chloro-4-fluorobenzene", - "iupac_name": "1-chloro-4-fluorobenzene", - "formula": "C6H4ClF", - "smiles": "C1=CC(=CC=C1F)Cl", - "inchi": "InChI=1S/C6H4ClF/c7-5-1-3-6(8)4-2-5/h1-4H" - }, - "DIPPR107": [ - 39175.031032099556, - 223016.49752699927, - 441.4427982492287, - -124461.9096932498, - 493.37233727521925 - ] - }, - { - "identifier": { - "cas": "352-70-5", - "name": "3-fluorotoluene", - "iupac_name": "1-fluoro-3-methylbenzene", - "formula": "C7H7F", - "smiles": "CC1=CC(=CC=C1)F", - "inchi": "InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3" - }, - "DIPPR107": [ - 48129.41484598553, - 293451.9314491879, - 483.41773686473886, - -199993.69081847693, - 563.4666504625545 - ] - }, - { - "identifier": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "formula": "C4H10S", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "DIPPR107": [ - 54355.47266514572, - 263689.1380969044, - 508.9640186490717, - -169223.5115229623, - 614.5746036332113 - ] - }, - { - "identifier": { - "cas": "353-36-6", - "name": "fluoroethane", - "iupac_name": "fluoroethane", - "formula": "C2H5F", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "DIPPR107": [ - 37448.06323828052, - 126566.15047549047, - 534.9094079010299, - -89097.94960571377, - 583.0419986833512 - ] - }, - { - "identifier": { - "cas": "353-49-1", - "name": "carbonyl chloride fluoride", - "iupac_name": "carbonyl chloride fluoride", - "formula": "CClFO", - "smiles": "C(=O)(F)Cl", - "inchi": "InChI=1S/CClFO/c2-1(3)4" - }, - "DIPPR107": [ - 34165.25387985334, - 48793.246391633955, - 462.4061044177949, - -15545.835813147229, - 561.8633918714434 - ] - }, - { - "identifier": { - "cas": "353-50-4", - "name": "carbonyl fluoride", - "iupac_name": "carbonyl difluoride", - "formula": "CF2O", - "smiles": "C(=O)(F)F", - "inchi": "InChI=1S/CF2O/c2-1(3)4" - }, - "DIPPR107": [ - 30912.756161294543, - 51971.4624476838, - 486.0561135400063, - -20227.876771140112, - 549.0099929542675 - ] - }, - { - "identifier": { - "cas": "353-54-8", - "name": "tribromofluoromethane", - "iupac_name": "tribromo(fluoro)methane", - "formula": "CBr3F", - "smiles": "C(F)(Br)(Br)Br", - "inchi": "InChI=1S/CBr3F/c2-1(3,4)5" - }, - "DIPPR107": [ - 37048.265481237766, - 70703.03872050159, - 203.3142098655572, - -33793.98558258729, - 270.5507000395952 - ] - }, - { - "identifier": { - "cas": "353-55-9", - "name": "dibromochlorofluoromethane", - "iupac_name": "dibromo-chloro-fluoromethane", - "formula": "CBr2ClF", - "smiles": "C(F)(Cl)(Br)Br", - "inchi": "InChI=1S/CBr2ClF/c2-1(3,4)5" - }, - "DIPPR107": [ - 35408.30643539528, - 72328.1227231878, - 214.78681826271244, - -35083.52820614066, - 275.76026966734764 - ] - }, - { - "identifier": { - "cas": "353-58-2", - "name": "bromodichlorofluoromethane", - "iupac_name": "bromo-dichloro-fluoromethane", - "formula": "CBrCl2F", - "smiles": "C(F)(Cl)(Cl)Br", - "inchi": "InChI=1S/CBrCl2F/c2-1(3,4)5" - }, - "DIPPR107": [ - 34313.982003284575, - 73457.57740421104, - 230.5093442534549, - -35820.05898284801, - 283.9361950031936 - ] - }, - { - "identifier": { - "cas": "353-59-3", - "name": "bromochlorodifluoromethane", - "iupac_name": "bromo-chloro-difluoromethane", - "formula": "CBrClF2", - "smiles": "C(F)(F)(Cl)Br", - "inchi": "InChI=1S/CBrClF2/c2-1(3,4)5" - }, - "DIPPR107": [ - 33859.406553535104, - 73532.8417380996, - 256.160985286227, - -40192.34508144158, - 305.6551333270884 - ] - }, - { - "identifier": { - "cas": "353-61-7", - "name": "2-fluoro-2-methylpropane", - "iupac_name": "2-fluoro-2-methylpropane", - "formula": "C4H9F", - "smiles": "CC(C)(C)F", - "inchi": "InChI=1S/C4H9F/c1-4(2,3)5/h1-3H3" - }, - "DIPPR107": [ - 52731.60806121046, - 235262.84828766636, - 441.62961813891457, - -173736.42484208682, - 510.1090312155504 - ] - }, - { - "identifier": { - "cas": "353-66-2", - "name": "difluorodimethylsilane", - "iupac_name": "difluoro(dimethyl)silane", - "formula": "C2H6F2Si", - "smiles": "C[Si](C)(F)F", - "inchi": "InChI=1S/C2H6F2Si/c1-5(2,3)4/h1-2H3" - }, - "DIPPR107": [ - 59610.80602249284, - 176567.79292732035, - 523.5856975080627, - -94239.23430593144, - 676.851851815168 - ] - }, - { - "identifier": { - "cas": "353-82-2", - "name": "dichlorofluoro acetonitrile", - "iupac_name": "2,2-dichloro-2-fluoroacetonitrile", - "formula": "C2Cl2FN", - "smiles": "C(#N)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl2FN/c3-2(4,5)1-6" - }, - "DIPPR107": [ - 52420.29098729518, - 81357.65718354074, - 450.57053597966734, - -18360.83100347725, - 715.7463884969576 - ] - }, - { - "identifier": { - "cas": "353-83-3", - "name": "1,1,1-trifluoro-2-iodoethane", - "iupac_name": "1,1,1-trifluoro-2-iodoethane", - "formula": "C2H2F3I", - "smiles": "C(C(F)(F)F)I", - "inchi": "InChI=1S/C2H2F3I/c3-2(4,5)1-6/h1H2" - }, - "DIPPR107": [ - 52338.200541756385, - 122154.91363533352, - 473.3881276956604, - -49463.9869625454, - 520.9513744871592 - ] - }, - { - "identifier": { - "cas": "353-85-5", - "name": "trifluoroacetonitrile", - "iupac_name": "2,2,2-trifluoroacetonitrile", - "formula": "C2F3N", - "smiles": "C(#N)C(F)(F)F", - "inchi": "InChI=1S/C2F3N/c3-2(4,5)1-6" - }, - "DIPPR107": [ - 49398.26192659997, - 83224.09869694244, - 500.4413243207836, - -23603.97952747347, - 608.21559125465 - ] - }, - { - "identifier": { - "cas": "354-23-4", - "name": "1,2-dichloro-1,1,2-trifluoroethane", - "iupac_name": "1,2-dichloro-1,1,2-trifluoroethane", - "formula": "C2HCl2F3", - "smiles": "C(C(F)(F)Cl)(F)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H" - }, - "DIPPR107": [ - 54888.02556347442, - 122876.3815213161, - 430.1201558656471, - -39957.14925157793, - 497.5962777352152 - ] - }, - { - "identifier": { - "cas": "354-33-6", - "name": "pentafluoroethane", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "formula": "C2HF5", - "smiles": "C(C(F)(F)F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "DIPPR107": [ - 46425.61331420394, - 129762.68992601795, - 348.67536223614496, - -83001.18700372851, - 408.2590781432175 - ] - }, - { - "identifier": { - "cas": "354-56-3", - "name": "cfc-111", - "iupac_name": "1,1,1,2,2-pentachloro-2-fluoroethane", - "formula": "C2Cl5F", - "smiles": "C(C(Cl)(Cl)Cl)(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl5F/c3-1(4,5)2(6,7)8" - }, - "DIPPR107": [ - 64887.409868417104, - 117660.54590530871, - 302.93385883311066, - -44112.95812222753, - 331.8675599933348 - ] - }, - { - "identifier": { - "cas": "354-58-5", - "name": "1,1,1-trichlorotrifluoroethane", - "iupac_name": "1,1,1-trichloro-2,2,2-trifluoroethane", - "formula": "C2Cl3F3", - "smiles": "C(C(Cl)(Cl)Cl)(F)(F)F", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,5)2(6,7)8" - }, - "DIPPR107": [ - 61865.38080772189, - 121034.3032653239, - 366.06018297935486, - -45046.615354088135, - 405.90571210145606 - ] - }, - { - "identifier": { - "cas": "359-02-4", - "name": "ethene, 1,1-dichloro-2-fluoro-", - "iupac_name": "1,1-dichloro-2-fluoroethene", - "formula": "C2HCl2F", - "smiles": "C(=C(Cl)Cl)F", - "inchi": "InChI=1S/C2HCl2F/c3-2(4)1-5/h1H" - }, - "DIPPR107": [ - 40783.54139676404, - 86536.531216289, - 371.1070937575833, - -43072.83396349483, - 458.929115045879 - ] - }, - { - "identifier": { - "cas": "359-08-0", - "name": "2-bromo-1,1-difluoroethene", - "iupac_name": "2-bromo-1,1-difluoroethene", - "formula": "C2HBrF2", - "smiles": "C(=C(F)F)Br", - "inchi": "InChI=1S/C2HBrF2/c3-1-2(4)5/h1H" - }, - "DIPPR107": [ - 43359.916432893515, - 84704.87349084161, - 456.2848504463052, - -32119.250352168943, - 545.4783558635884 - ] - }, - { - "identifier": { - "cas": "359-10-4", - "name": "2-chloro-1,1-difluoroethylene", - "iupac_name": "2-chloro-1,1-difluoroethene", - "formula": "C2HClF2", - "smiles": "C(=C(F)F)Cl", - "inchi": "InChI=1S/C2HClF2/c3-1-2(4)5/h1H" - }, - "DIPPR107": [ - 42039.64792929226, - 87784.79113209533, - 429.5688948532528, - -44718.7211442685, - 516.5662038522313 - ] - }, - { - "identifier": { - "cas": "359-11-5", - "name": "trifluoroethylene", - "iupac_name": "1,1,2-trifluoroethene", - "formula": "C2HF3", - "smiles": "C(=C(F)F)F", - "inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H" - }, - "DIPPR107": [ - 40664.92835284189, - 89143.80987129238, - 454.4311278449805, - -43609.70119528193, - 542.0641109707915 - ] - }, - { - "identifier": { - "cas": "359-29-5", - "name": "trichlorofluoroethylene", - "iupac_name": "1,1,2-trichloro-2-fluoroethene", - "formula": "C2Cl3F", - "smiles": "C(=C(Cl)Cl)(F)Cl", - "inchi": "InChI=1S/C2Cl3F/c3-1(4)2(5)6" - }, - "DIPPR107": [ - 51858.53277913736, - 80872.084632611, - 352.3878476729923, - -30551.042824333235, - 438.3468160701689 - ] - }, - { - "identifier": { - "cas": "363-72-4", - "name": "pentafluorobenzene", - "iupac_name": "1,2,3,4,5-pentafluorobenzene", - "formula": "C6HF5", - "smiles": "C1=C(C(=C(C(=C1F)F)F)F)F", - "inchi": "InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" - }, - "DIPPR107": [ - 58452.41656843249, - 231591.9347560401, - 402.17033929441857, - -127093.14542275073, - 513.9532596295087 - ] - }, - { - "identifier": { - "cas": "3638-64-0", - "name": "nitroethylene", - "iupac_name": "1-nitroethene", - "formula": "C2H3NO2", - "smiles": "C=C[N+](=O)[O-]", - "inchi": "InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2" - }, - "DIPPR107": [ - 36750.25484148642, - 141041.15574395115, - 555.8677131703874, - -64452.87435211612, - 680.6667478707153 - ] - }, - { - "identifier": { - "cas": "367-11-3", - "name": "1,2-difluorobenzene", - "iupac_name": "1,2-difluorobenzene", - "formula": "C6H4F2", - "smiles": "C1=CC=C(C(=C1)F)F", - "inchi": "InChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "DIPPR107": [ - 43288.19792898981, - 230175.2076634891, - 483.1081640605861, - -122168.33542699085, - 557.6703601341358 - ] - }, - { - "identifier": { - "cas": "367-23-7", - "name": "1,2,4-trifluorobenzene", - "iupac_name": "1,2,4-trifluorobenzene", - "formula": "C6H3F3", - "smiles": "C1=CC(=C(C=C1F)F)F", - "inchi": "InChI=1S/C6H3F3/c7-4-1-2-5(8)6(9)3-4/h1-3H" - }, - "DIPPR107": [ - 46144.85297000857, - 221986.69625317428, - 425.3739719233811, - -116420.07471281174, - 493.2313243924242 - ] - }, - { - "identifier": { - "cas": "371-40-4", - "name": "4-fluoroaniline", - "iupac_name": "4-fluoroaniline", - "formula": "C6H6FN", - "smiles": "C1=CC(=CC=C1N)F", - "inchi": "InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" - }, - "DIPPR107": [ - 41925.4308417594, - 268462.76147286827, - 535.6371646139793, - -107361.12279949016, - 639.0537582112784 - ] - }, - { - "identifier": { - "cas": "371-71-1", - "name": "perfluoro-2-azapropene", - "iupac_name": "1,1-difluoro-n-(trifluoromethyl)methanimine", - "formula": "C2F5N", - "smiles": "C(=NC(F)(F)F)(F)F", - "inchi": "InChI=1S/C2F5N/c3-1(4)8-2(5,6)7" - }, - "DIPPR107": [ - 52537.140440250514, - 134141.09748947114, - 373.6105279196836, - -57542.387127787246, - 464.8984484590837 - ] - }, - { - "identifier": { - "cas": "372-18-9", - "name": "1,3-difluorobenzene", - "iupac_name": "1,3-difluorobenzene", - "formula": "C6H4F2", - "smiles": "C1=CC(=CC(=C1)F)F", - "inchi": "InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "DIPPR107": [ - 41957.19468571815, - 229855.46897239075, - 469.5237283516757, - -125917.39475349302, - 539.5264475882625 - ] - }, - { - "identifier": { - "cas": "372-19-0", - "name": "3-fluoroaniline", - "iupac_name": "3-fluoroaniline", - "formula": "C6H6FN", - "smiles": "C1=CC(=CC(=C1)F)N", - "inchi": "InChI=1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2" - }, - "DIPPR107": [ - 41925.4308417594, - 270102.33188042085, - 521.7630250242786, - -112780.15647794274, - 623.1987280250931 - ] - }, - { - "identifier": { - "cas": "372-38-3", - "name": "1,3,5-trifluorobenzene", - "iupac_name": "1,3,5-trifluorobenzene", - "formula": "C6H3F3", - "smiles": "C1=C(C=C(C=C1F)F)F", - "inchi": "InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H" - }, - "DIPPR107": [ - 44918.775723865416, - 221521.98312360793, - 412.2291164938839, - -122514.04995380723, - 473.0586295552667 - ] - }, - { - "identifier": { - "cas": "372-46-3", - "name": "fluorocyclohexane", - "iupac_name": "fluorocyclohexane", - "formula": "C6H11F", - "smiles": "C1CCC(CC1)F", - "inchi": "InChI=1S/C6H11F/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "DIPPR107": [ - 47157.86566712749, - 359826.5409004157, - 540.5446984100959, - -216575.72961680184, - 587.2627781276328 - ] - }, - { - "identifier": { - "cas": "373-52-4", - "name": "bromofluoromethane", - "iupac_name": "bromo(fluoro)methane", - "formula": "CH2BrF", - "smiles": "C(F)Br", - "inchi": "InChI=1S/CH2BrF/c2-1-3/h1H2" - }, - "DIPPR107": [ - 34371.174776523345, - 67394.6139149274, - 467.8954408086916, - -48782.8491276327, - 531.7110737518777 - ] - }, - { - "identifier": { - "cas": "373-74-0", - "name": "methyltrifluorosilane", - "iupac_name": "trifluoro(methyl)silane", - "formula": "CH3F3Si", - "smiles": "C[Si](F)(F)F", - "inchi": "InChI=1S/CH3F3Si/c1-5(2,3)4/h1H3" - }, - "DIPPR107": [ - 49665.0263809363, - 119538.65331509509, - 412.82157525743895, - -69943.80439055081, - 525.8812693496214 - ] - }, - { - "identifier": { - "cas": "374-12-9", - "name": "1,1,2,2-tetrafluorocyclobutane", - "iupac_name": "1,1,2,2-tetrafluorocyclobutane", - "formula": "C4H4F4", - "smiles": "C1CC(C1(F)F)(F)F", - "inchi": "InChI=1S/C4H4F4/c5-3(6)1-2-4(3,7)8/h1-2H2" - }, - "DIPPR107": [ - 47196.99342254198, - 214096.08649857255, - 488.3635029501156, - -94923.1395736683, - 557.9189310856541 - ] - }, - { - "identifier": { - "cas": "3767-37-1", - "name": "methylamine", - "iupac_name": "methanamine", - "formula": "CH5N", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "DIPPR107": [ - 108281.76747030948, - 45445.81785723249, - 1649.7957450540855, - -125404.46004544299, - 262.11892974241255 - ] - }, - { - "identifier": { - "cas": "3806-59-5", - "name": "1,3-cyclooctadiene", - "iupac_name": "(1z,3z)-cycloocta-1,3-diene", - "formula": "C8H12", - "smiles": "C1CCC=CC=CC1", - "inchi": "InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-" - }, - "DIPPR107": [ - 60243.01398946047, - 390603.8270486958, - 511.3195704955584, - -260696.3443473459, - 573.2844761535497 - ] - }, - { - "identifier": { - "cas": "381-71-5", - "name": "dichlorodifluoroethene", - "iupac_name": "1,2-dichloro-1,2-difluoroethene", - "formula": "C2Cl2F2", - "smiles": "C(=C(F)Cl)(F)Cl", - "inchi": "InChI=1S/C2Cl2F2/c3-1(5)2(4)6" - }, - "DIPPR107": [ - 48606.03506057855, - 84046.24333370301, - 357.46425052823963, - -34199.70831089444, - 446.36076889225416 - ] - }, - { - "identifier": { - "cas": "3822-68-2", - "name": "3822-68-2", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "formula": "C2HF5O", - "smiles": "C(OC(F)(F)F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "DIPPR107": [ - 54876.48041973039, - 148749.068769121, - 423.60755471541495, - -73235.62376980818, - 463.436399017076 - ] - }, - { - "identifier": { - "cas": "3855-82-1", - "name": "1,4-dichlorobenzene-d4", - "iupac_name": "1,4-dichloro-2,3,5,6-tetradeuteriobenzene", - "formula": "C6H4Cl2", - "smiles": "C1=CC(=CC=C1Cl)Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D" - }, - "DIPPR107": [ - 49045.677073875835, - 222760.90210484512, - 424.3413151432322, - -109263.22472911887, - 497.0555583943184 - ] - }, - { - "identifier": { - "cas": "38697-07-3", - "name": "2-propanimine", - "iupac_name": "propan-2-imine", - "formula": "C3H7N", - "smiles": "CC(=N)C", - "inchi": "InChI=1S/C3H7N/c1-3(2)4/h4H,1-2H3" - }, - "DIPPR107": [ - 43370.47886921106, - 189055.4068448847, - 556.9944835880334, - -129461.1608861521, - 627.4805869942129 - ] - }, - { - "identifier": { - "cas": "3877-15-4", - "name": "methyl propyl sulfide", - "iupac_name": "1-methylsulfanylpropane", - "formula": "C4H10S", - "smiles": "CCCSC", - "inchi": "InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3" - }, - "DIPPR107": [ - 54355.47266514572, - 271016.02522180986, - 513.8252996243677, - -178096.25150465354, - 624.3819147274775 - ] - }, - { - "identifier": { - "cas": "3907-98-0", - "name": "3907-98-0", - "iupac_name": "1,2,3-trichloro-4,5,6-trideuteriobenzene", - "formula": "C6H3Cl3", - "smiles": "C1=CC(=C(C(=C1)Cl)Cl)Cl", - "inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H/i1D,2D,3D" - }, - "DIPPR107": [ - 57006.68850313063, - 218239.75215002144, - 402.4840836497269, - -107846.90736351318, - 479.2734699719927 - ] - }, - { - "identifier": { - "cas": "39227-53-7", - "name": "1-chlorodibenzo-p-dioxin", - "iupac_name": "1-chlorodibenzo-p-dioxin", - "formula": "C12H7ClO2", - "smiles": "C1=CC=C2C(=C1)OC3=C(O2)C(=CC=C3)Cl", - "inchi": "InChI=1S/C12H7ClO2/c13-8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H" - }, - "DIPPR107": [ - 80909.96308505615, - 438905.68895646225, - 562.8343794629793, - -176145.3190370926, - 660.1773674475638 - ] - }, - { - "identifier": { - "cas": "39227-54-8", - "name": "2-chlorodibenzo-p-dioxin", - "iupac_name": "2-chlorodibenzo-p-dioxin", - "formula": "C12H7ClO2", - "smiles": "C1=CC=C2C(=C1)OC3=C(O2)C=C(C=C3)Cl", - "inchi": "InChI=1S/C12H7ClO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H" - }, - "DIPPR107": [ - 80909.96308505615, - 439001.161527024, - 563.235095590384, - -176006.70577041234, - 661.1852196642831 - ] - }, - { - "identifier": { - "cas": "398-23-2", - "name": "4,4'-difluorobiphenyl", - "iupac_name": "1-fluoro-4-(4-fluorophenyl)benzene", - "formula": "C12H8F2", - "smiles": "C1=CC(=CC=C1C2=CC=C(C=C2)F)F", - "inchi": "InChI=1S/C12H8F2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H" - }, - "DIPPR107": [ - 51858.97689361733, - 448081.4410344131, - 480.0969941332863, - -203452.84427007337, - 564.81304752463 - ] - }, - { - "identifier": { - "cas": "3982-91-0", - "name": "thiophosphoryl chloride", - "iupac_name": "trichloro(sulfanylidene)-lambda5-phosphane", - "formula": "Cl3PS", - "smiles": "P(=S)(Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl3PS/c1-4(2,3)5" - }, - "DIPPR107": [ - 32517.310831574723, - 75523.66055393047, - 411.7064666487669, - 58453.00672057144, - 186.73243552036635 - ] - }, - { - "identifier": { - "cas": "402-67-5", - "name": "1-fluoro-3-nitrobenzene", - "iupac_name": "1-fluoro-3-nitrobenzene", - "formula": "C6H4FNO2", - "smiles": "C1=CC(=CC(=C1)F)[N+](=O)[O-]", - "inchi": "InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 49634.706690575425, - 260365.03033234016, - 451.2270277590195, - -127516.03798659613, - 503.995826142499 - ] - }, - { - "identifier": { - "cas": "405-99-2", - "name": "4-fluorostyrene", - "iupac_name": "1-ethenyl-4-fluorobenzene", - "formula": "C8H7F", - "smiles": "C=CC1=CC=C(C=C1)F", - "inchi": "InChI=1S/C8H7F/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2" - }, - "DIPPR107": [ - 57101.459095150785, - 298018.0061119166, - 462.3164036715943, - -182537.87895175858, - 533.3423275322119 - ] - }, - { - "identifier": { - "cas": "4050-45-7", - "name": "hexene, isomers", - "iupac_name": "(e)-hex-2-ene", - "formula": "C6H12", - "smiles": "CCCC=CC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+" - }, - "DIPPR107": [ - 63059.34563492864, - 317516.9212781319, - 531.4034832937401, - -191342.79580598502, - 641.7158392606298 - ] - }, - { - "identifier": { - "cas": "4054-38-0", - "name": "1,3-cycloheptadiene", - "iupac_name": "cyclohepta-1,3-diene", - "formula": "C7H10", - "smiles": "C1CC=CC=CC1", - "inchi": "InChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2" - }, - "DIPPR107": [ - 51725.78003314035, - 329608.6289542302, - 516.7350349084986, - -216554.33712996304, - 578.0908492433156 - ] - }, - { - "identifier": { - "cas": "406-41-7", - "name": "1,1,1-trifluoro-2-butyne", - "iupac_name": "1,1,1-trifluorobut-2-yne", - "formula": "C4H3F3", - "smiles": "CC#CC(F)(F)F", - "inchi": "InChI=1S/C4H3F3/c1-2-3-4(5,6)7/h1H3" - }, - "DIPPR107": [ - 70549.63588396256, - 149660.42728829745, - 587.4924350594222, - -62012.404126315916, - 676.5473068576483 - ] - }, - { - "identifier": { - "cas": "40697-99-2", - "name": "3,6-dihydro-2h-thiopyran", - "iupac_name": "3,6-dihydro-2h-thiopyran", - "formula": "C5H8S", - "smiles": "C1CSCC=C1", - "inchi": "InChI=1S/C5H8S/c1-2-4-6-5-3-1/h1-2H,3-5H2" - }, - "DIPPR107": [ - 45410.197490601815, - 266567.90404729184, - 512.8443795651941, - -177466.1199195262, - 574.1091457993052 - ] - }, - { - "identifier": { - "cas": "4095-09-4", - "name": "tribromomethylsilane", - "iupac_name": "tribromomethylsilane", - "formula": "CBr3Si", - "smiles": "C([Si])(Br)(Br)Br", - "inchi": "InChI=1S/CBr3Si/c2-1(3,4)5" - }, - "DIPPR107": [ - 74277.66760619445, - 98070.42441444882, - 485.7839187122459, - -46840.38746305422, - 678.438336179323 - ] - }, - { - "identifier": { - "cas": "4095-10-7", - "name": "dimethyldibromosilane", - "iupac_name": "dibromo(dimethyl)silane", - "formula": "C2H6Br2Si", - "smiles": "C[Si](C)(Br)Br", - "inchi": "InChI=1S/C2H6Br2Si/c1-5(2,3)4/h1-2H3" - }, - "DIPPR107": [ - 70782.31775658297, - 165517.20169446376, - 499.3467950120705, - -91335.68478096245, - 683.005002865641 - ] - }, - { - "identifier": { - "cas": "4109-96-0", - "name": "sih2cl2", - "iupac_name": "dichlorosilane", - "formula": "Cl2H2Si", - "smiles": "[SiH2](Cl)Cl", - "inchi": "InChI=1S/Cl2H2Si/c1-3-2/h3H2" - }, - "DIPPR107": [ - 37973.92939898694, - 68653.56895955837, - 467.991339368878, - -28148.339141480923, - 582.3058112489922 - ] - }, - { - "identifier": { - "cas": "4122-13-8", - "name": "(1-2h1)acetaldehyde", - "iupac_name": "1-deuterioethanone", - "formula": "C2H4O", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3/i2D" - }, - "DIPPR107": [ - 37274.36017792597, - 106190.91639581107, - 437.8499186067368, - -96585.42906095534, - 518.6359022121499 - ] - }, - { - "identifier": { - "cas": "4164-28-7", - "name": "dimethylnitramine", - "iupac_name": "n,n-dimethylnitramide", - "formula": "C2H6N2O2", - "smiles": "CN(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C2H6N2O2/c1-3(2)4(5)6/h1-2H3" - }, - "DIPPR107": [ - 54334.646646432615, - 203412.85408460657, - 468.2946927335949, - -140948.29517676184, - 555.0387315657574 - ] - }, - { - "identifier": { - "cas": "4165-62-2", - "name": "phenol-d5", - "iupac_name": "2,3,4,5,6-pentadeuteriophenol", - "formula": "C6H6O", - "smiles": "C1=CC=C(C=C1)O", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D" - }, - "DIPPR107": [ - 35812.690127920585, - 250810.41494903466, - 428.4864663083552, - -130140.08160024167, - 506.625291053661 - ] - }, - { - "identifier": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "formula": "C4H6O", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" - }, - "DIPPR107": [ - 50989.59860988324, - 186363.49980028038, - 550.2112087752564, - -109096.2103484465, - 647.4197847085768 - ] - }, - { - "identifier": { - "cas": "420-12-2", - "name": "thiirane", - "iupac_name": "thiirane", - "formula": "C2H4S", - "smiles": "C1CS1", - "inchi": "InChI=1S/C2H4S/c1-2-3-1/h1-2H2" - }, - "DIPPR107": [ - 33572.466298072446, - 117231.72023794008, - 665.4746485958723, - -48563.882309861714, - 767.2373687714115 - ] - }, - { - "identifier": { - "cas": "420-34-8", - "name": "methyldifluorosilane", - "iupac_name": "methyldifluorosilane", - "formula": "CH3F2Si", - "smiles": "C[Si](F)F", - "inchi": "InChI=1S/CH3F2Si/c1-4(2)3/h1H3" - }, - "DIPPR107": [ - 41571.65, - 129243.8607782211, - 1177.7074331845597, - 96410.12789640507, - 488.5523975793611 - ] - }, - { - "identifier": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane", - "iupac_name": "1,1,1-trifluoroethane", - "formula": "C2H3F3", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "DIPPR107": [ - 38956.33987190795, - 128136.84284330349, - 431.9892654605708, - -75467.50321561994, - 506.7207530933864 - ] - }, - { - "identifier": { - "cas": "420-56-4", - "name": "fluorotrimethylsilane", - "iupac_name": "fluoro(trimethyl)silane", - "formula": "C3H9FSi", - "smiles": "C[Si](C)(C)F", - "inchi": "InChI=1S/C3H9FSi/c1-5(2,3)4/h1-3H3" - }, - "DIPPR107": [ - 65815.93719083753, - 235292.08121584964, - 542.4256389896408, - -134676.0625248868, - 690.9868627149846 - ] - }, - { - "identifier": { - "cas": "421-06-7", - "name": "2-bromo-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-1,1,1-trifluoroethane", - "formula": "C2H2BrF3", - "smiles": "C(C(F)(F)F)Br", - "inchi": "InChI=1S/C2H2BrF3/c3-1-2(4,5)6/h1H2" - }, - "DIPPR107": [ - 50835.988466159346, - 122917.62305391533, - 432.34576814635113, - -63050.3670131454, - 478.51177610487485 - ] - }, - { - "identifier": { - "cas": "42587-83-7", - "name": "2,5-dichlorofuran", - "iupac_name": "2,5-dichlorofuran", - "formula": "C4H2Cl2O", - "smiles": "C1=C(OC(=C1)Cl)Cl", - "inchi": "InChI=1S/C4H2Cl2O/c5-3-1-2-4(6)7-3/h1-2H" - }, - "DIPPR107": [ - 48057.54092735883, - 151211.14995715243, - 424.3109020890738, - -82655.65584528979, - 473.31171588159685 - ] - }, - { - "identifier": { - "cas": "430-71-7", - "name": "propionyl fluoride", - "iupac_name": "propanoyl fluoride", - "formula": "C3H5FO", - "smiles": "CCC(=O)F", - "inchi": "InChI=1S/C3H5FO/c1-2-3(4)5/h2H2,1H3" - }, - "DIPPR107": [ - 45243.86361039784, - 170193.35242401517, - 483.6412962797546, - -115105.57936025586, - 642.5554750841184 - ] - }, - { - "identifier": { - "cas": "430-85-3", - "name": "1,1-dibromo-2,2-difluoroethene", - "iupac_name": "1,1-dibromo-2,2-difluoroethene", - "formula": "C2Br2F2", - "smiles": "C(=C(Br)Br)(F)F", - "inchi": "InChI=1S/C2Br2F2/c3-1(4)2(5)6" - }, - "DIPPR107": [ - 53272.551357551085, - 80041.01203466866, - 427.051757286104, - -19965.83689251783, - 511.7114616859496 - ] - }, - { - "identifier": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "formula": "C3H2F6", - "smiles": "C(C(F)F)(C(F)(F)F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "DIPPR107": [ - 59166.87932011488, - 187659.44660535737, - 423.372763341354, - -81616.63803408388, - 494.4192605034928 - ] - }, - { - "identifier": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "formula": "C3HF7", - "smiles": "C(C(F)(F)F)(C(F)(F)F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "DIPPR107": [ - 66374.70322222596, - 185718.44909870197, - 451.5959932301998, - -63710.74473490156, - 521.301231996537 - ] - }, - { - "identifier": { - "cas": "4333-56-6", - "name": "bromocyclopropane", - "iupac_name": "bromocyclopropane", - "formula": "C3H5Br", - "smiles": "C1CC1Br", - "inchi": "InChI=1S/C3H5Br/c4-3-1-2-3/h3H,1-2H2" - }, - "DIPPR107": [ - 43229.91632535738, - 147037.14757396517, - 530.9681268792535, - -82415.61306304549, - 520.6691964279219 - ] - }, - { - "identifier": { - "cas": "434-64-0", - "name": "octafluorotoluene", - "iupac_name": "1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene", - "formula": "C7F8", - "smiles": "C1(=C(C(=C(C(=C1F)F)F)F)F)C(F)(F)F", - "inchi": "InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10" - }, - "DIPPR107": [ - 75955.2716452565, - 286849.1199956345, - 413.1102145604352, - -119354.91641717132, - 519.8413044613701 - ] - }, - { - "identifier": { - "cas": "4343-68-4", - "name": "nitrosyl cyanide", - "iupac_name": "oxocyanamide", - "formula": "CN2O", - "smiles": "C(#N)N=O", - "inchi": "InChI=1S/CN2O/c2-1-3-4" - }, - "DIPPR107": [ - 47749.4195818272, - 35043.27389699752, - 487.4863911801323, - -20847.564424181473, - 592.7536028259758 - ] - }, - { - "identifier": { - "cas": "4351-54-6", - "name": "cyclohexyl formate", - "iupac_name": "cyclohexyl formate", - "formula": "C7H12O2", - "smiles": "C1CCC(CC1)OC=O", - "inchi": "InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "DIPPR107": [ - 66862.75581373945, - 403624.9732117859, - 455.4631065143161, - -305898.51473291114, - 503.3041249207496 - ] - }, - { - "identifier": { - "cas": "4362-13-4", - "name": "1,2-dioxolane", - "iupac_name": "dioxolane", - "formula": "C3H6O2", - "smiles": "C1COOC1", - "inchi": "InChI=1S/C3H6O2/c1-2-4-5-3-1/h1-3H2" - }, - "DIPPR107": [ - 37820.87580456835, - 205045.59811422613, - 538.1279482148186, - -123212.24368552216, - 580.348406639028 - ] - }, - { - "identifier": { - "cas": "4375-96-6", - "name": "2-iodopropene", - "iupac_name": "2-iodoprop-1-ene", - "formula": "C3H5I", - "smiles": "CC(=C)I", - "inchi": "InChI=1S/C3H5I/c1-3(2)4/h1H2,2H3" - }, - "DIPPR107": [ - 46044.978139152714, - 143597.84837808646, - 545.5503392665315, - -76815.15643485519, - 668.0233648599542 - ] - }, - { - "identifier": { - "cas": "4399-47-7", - "name": "bromocyclobutane", - "iupac_name": "bromocyclobutane", - "formula": "C4H7Br", - "smiles": "C1CC(C1)Br", - "inchi": "InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2" - }, - "DIPPR107": [ - 47193.43370957731, - 210704.83659299335, - 651.1878640503104, - -81674.7301757813, - 729.2660205827041 - ] - }, - { - "identifier": { - "cas": "452-68-6", - "name": "2-fluoro-5-iodotoluene", - "iupac_name": "1-fluoro-4-iodo-2-methylbenzene", - "formula": "C7H6FI", - "smiles": "CC1=C(C=CC(=C1)I)F", - "inchi": "InChI=1S/C7H6FI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3" - }, - "DIPPR107": [ - 49271.45975731864, - 282356.50368701416, - 465.0340898817989, - -174650.45618386185, - 538.4601758145121 - ] - }, - { - "identifier": { - "cas": "455-32-3", - "name": "benzoyl fluoride", - "iupac_name": "benzoyl fluoride", - "formula": "C7H5FO", - "smiles": "C1=CC=C(C=C1)C(=O)F", - "inchi": "InChI=1S/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "DIPPR107": [ - 57198.71407250508, - 260554.67300926277, - 486.71291753561707, - -151541.68286806432, - 549.0013854328096 - ] - }, - { - "identifier": { - "cas": "459-57-4", - "name": "4-fluorobenzaldehyde", - "iupac_name": "4-fluorobenzaldehyde", - "formula": "C7H5FO", - "smiles": "C1=CC(=CC=C1C=O)F", - "inchi": "InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H" - }, - "DIPPR107": [ - 52505.290404557396, - 260908.35663437174, - 459.7224600974444, - -153831.17641980547, - 528.3653277601784 - ] - }, - { - "identifier": { - "cas": "460-00-4", - "name": "1-bromo-4-fluorobenzene", - "iupac_name": "1-bromo-4-fluorobenzene", - "formula": "C6H4BrF", - "smiles": "C1=CC(=CC=C1F)Br", - "inchi": "InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H" - }, - "DIPPR107": [ - 41863.795129448205, - 220050.11834068477, - 435.8054939763772, - -124404.54164362015, - 490.10952277785367 - ] - }, - { - "identifier": { - "cas": "460-12-8", - "name": "1,3-butadiyne", - "iupac_name": "buta-1,3-diyne", - "formula": "C4H2", - "smiles": "C#CC#C", - "inchi": "InChI=1S/C4H2/c1-3-4-2/h1-2H" - }, - "DIPPR107": [ - 37425.60219619154, - 95948.04617597534, - 469.9085334016667, - -46750.073033940884, - 738.5942842724158 - ] - }, - { - "identifier": { - "cas": "460-13-9", - "name": "1-fluoropropane", - "iupac_name": "1-fluoropropane", - "formula": "C3H7F", - "smiles": "CCCF", - "inchi": "InChI=1S/C3H7F/c1-2-3-4/h2-3H2,1H3" - }, - "DIPPR107": [ - 46248.00609757069, - 175246.47058961182, - 502.658507581453, - -119824.63623259359, - 543.0890741912895 - ] - }, - { - "identifier": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "formula": "C3H3F5", - "smiles": "C(C(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "DIPPR107": [ - 56509.00640711541, - 186399.74437360078, - 449.3166749773789, - -93480.30162948935, - 511.2078289163568 - ] - }, - { - "identifier": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "formula": "C6H5F", - "smiles": "C1=CC=C(C=C1)F", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "DIPPR107": [ - 38424.90574451739, - 228442.3068658171, - 502.3303882801847, - -122192.00712482794, - 555.9193908586442 - ] - }, - { - "identifier": { - "cas": "462-08-8", - "name": "3-aminopyridine", - "iupac_name": "pyridin-3-amine", - "formula": "C5H6N2", - "smiles": "C1=CC(=CN=C1)N", - "inchi": "InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2" - }, - "DIPPR107": [ - 37703.35439568211, - 242322.4988604642, - 440.2791438435273, - -155342.767052672, - 519.4452231992287 - ] - }, - { - "identifier": { - "cas": "463-49-0", - "name": "allene", - "iupac_name": "propa-1,2-diene", - "formula": "C3H4", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "DIPPR107": [ - 36563.6520253573, - 109712.71689184275, - 540.8565643943272, - -68078.63124066379, - 622.0419878567009 - ] - }, - { - "identifier": { - "cas": "463-51-4", - "name": "ethenone", - "iupac_name": "ethenone", - "formula": "C2H2O", - "smiles": "C=C=O", - "inchi": "InChI=1S/C2H2O/c1-2-3/h1H2" - }, - "DIPPR107": [ - 33944.18058175942, - 68692.7016949559, - 1242.1779185784703, - 41367.823148883486, - 524.8805490835435 - ] - }, - { - "identifier": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "formula": "COS", - "smiles": "C(=O)=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "DIPPR107": [ - 29768.785784999527, - 34269.83183324978, - 1272.4292261239927, - 31773.43096577381, - 513.6243480040334 - ] - }, - { - "identifier": { - "cas": "463-71-8", - "name": "thiophosgene", - "iupac_name": "thiocarbonyl dichloride", - "formula": "CCl2S", - "smiles": "C(=S)(Cl)Cl", - "inchi": "InChI=1S/CCl2S/c2-1(3)4" - }, - "DIPPR107": [ - 38772.6519423143, - 44215.96344197005, - 316.7142407464318, - -12415.596033428104, - 369.0084833010912 - ] - }, - { - "identifier": { - "cas": "463-73-0", - "name": "chlorocarbonic acid", - "iupac_name": "carbonochloridic acid", - "formula": "CHClO2", - "smiles": "C(=O)(O)Cl", - "inchi": "InChI=1S/CHClO2/c2-1(3)4/h(H,3,4)" - }, - "DIPPR107": [ - 37515.975477089305, - 67404.01293425592, - 499.7259778119753, - -22390.22227352941, - 686.1954948307496 - ] - }, - { - "identifier": { - "cas": "463-82-1", - "name": "neopentane", - "iupac_name": "2,2-dimethylpropane", - "formula": "C5H12", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "DIPPR107": [ - 58936.73922955517, - 301881.7673944382, - 530.1020210795974, - -188078.59216126252, - 592.5049471873759 - ] - }, - { - "identifier": { - "cas": "464-06-2", - "name": "2,2,3-trimethylbutane", - "iupac_name": "2,2,3-trimethylbutane", - "formula": "C7H16", - "smiles": "CC(C)C(C)(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3" - }, - "DIPPR107": [ - 75925.71959165792, - 427731.4838921889, - 571.0176971977202, - -241647.75089658995, - 668.9568486197244 - ] - }, - { - "identifier": { - "cas": "471-43-2", - "name": "471-43-2", - "iupac_name": "1,1-dichloro-2,2-difluoroethane", - "formula": "C2H2Cl2F2", - "smiles": "C(C(Cl)Cl)(F)F", - "inchi": "InChI=1S/C2H2Cl2F2/c3-1(4)2(5)6/h1-2H" - }, - "DIPPR107": [ - 47680.201661363346, - 127148.55296370223, - 384.8422364473458, - -53178.77084563345, - 505.2891503683027 - ] - }, - { - "identifier": { - "cas": "471-46-5", - "name": "oxamide", - "iupac_name": "oxamide", - "formula": "C2H4N2O2", - "smiles": "C(=O)(C(=O)N)N", - "inchi": "InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)" - }, - "DIPPR107": [ - 41550.26407312124, - 170308.10917878218, - 478.38206526391167, - -84939.91899130016, - 581.1070821943539 - ] - }, - { - "identifier": { - "cas": "4753-80-4", - "name": "thiepane", - "iupac_name": "thiepane", - "formula": "C6H12S", - "smiles": "C1CCCSCC1", - "inchi": "InChI=1S/C6H12S/c1-2-4-6-7-5-3-1/h1-6H2" - }, - "DIPPR107": [ - 54602.36803171273, - 372542.3030475499, - 505.406830891838, - -253367.86304395006, - 574.5382392364867 - ] - }, - { - "identifier": { - "cas": "4789-21-3", - "name": "ketene-d2", - "iupac_name": "2,2-dideuterioethenone", - "formula": "C2H2O", - "smiles": "C=C=O", - "inchi": "InChI=1S/C2H2O/c1-2-3/h1H2/i1D2" - }, - "DIPPR107": [ - 33704.86220602474, - 70037.03050607209, - 1106.6911332515288, - 42292.17819058562, - 475.9062827685645 - ] - }, - { - "identifier": { - "cas": "4829-04-3", - "name": "1,3-dithiolane", - "iupac_name": "1,3-dithiolane", - "formula": "C3H6S2", - "smiles": "C1CSCS1", - "inchi": "InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2" - }, - "DIPPR107": [ - 45851.429969224126, - 197280.87616740912, - 526.5788106615373, - -127307.81029298111, - 588.8189372981076 - ] - }, - { - "identifier": { - "cas": "483282-60-6", - "name": "(1e)-1-propenyl hydroperoxide", - "iupac_name": "(1e)-1-propenyl hydroperoxide", - "formula": "C3H6O2", - "smiles": "OOC=CC", - "inchi": "InChI=1S/C3H6O2/c1-2-3-5-4/h2-4H,1H3/b3-2+" - }, - "DIPPR107": [ - 46695.29223100363, - 177660.48873893445, - 295.78950141550627, - -194679.18384858838, - 411.6481663623068 - ] - }, - { - "identifier": { - "cas": "483282-62-8", - "name": "(1z)-1-propenyl Hydroperoxide", - "iupac_name": "(1z)-1-propenyl Hydroperoxide", - "formula": "C3H6O2", - "smiles": "OOC=CC", - "inchi": "InChI=1S/C3H6O2/c1-2-3-5-4/h2-4H,1H3/b3-2-" - }, - "DIPPR107": [ - 51652.26104484244, - 170066.91807292274, - 312.95524253312203, - -183684.82322560222, - 410.10864594068704 - ] - }, - { - "identifier": { - "cas": "483282-64-0", - "name": "2-methyl-1-propenyl hydroperoxide", - "iupac_name": "2-methyl-1-propenyl hydroperoxide", - "formula": "C4H8O2", - "smiles": "OOC=C(C)C", - "inchi": "InChI=1S/C4H8O2/c1-4(2)3-6-5/h3,5H,1-2H3" - }, - "DIPPR107": [ - 48994.20470313, - 239285.59242878848, - 295.2692143619653, - -251868.71643894532, - 418.66723783887 - ] - }, - { - "identifier": { - "cas": "483282-66-2", - "name": "1-methyl-1-propenyl hydroperoxide", - "iupac_name": "1-methyl-1-propenyl hydroperoxide", - "formula": "C4H8O2", - "smiles": "OOC(=CC)C", - "inchi": "InChI=1S/C4H8O2/c1-3-4(2)6-5/h3,5H,1-2H3" - }, - "DIPPR107": [ - 48932.53571472169, - 238762.0072727865, - 304.1689693594737, - -245399.50024900053, - 420.2492463576248 - ] - }, - { - "identifier": { - "cas": "488-23-3", - "name": "1,2,3,4-tetramethylbenzene", - "iupac_name": "1,2,3,4-tetramethylbenzene", - "formula": "C10H14", - "smiles": "CC1=C(C(=C(C=C1)C)C)C", - "inchi": "InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3" - }, - "DIPPR107": [ - 57733.75527167907, - 461080.41439816856, - 412.684417597222, - -353966.4585574369, - 527.5488939729573 - ] - }, - { - "identifier": { - "cas": "492-62-6", - "name": "alpha-d-glucose", - "iupac_name": "(2s,3r,4s,5s,6r)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol", - "formula": "C6H12O6", - "smiles": "C(C1C(C(C(C(O1)O)O)O)O)O", - "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1" - }, - "DIPPR107": [ - 52296.277862083065, - 432001.55168970616, - 280.015936619654, - -371104.54542704026, - 352.6614286702986 - ] - }, - { - "identifier": { - "cas": "493-01-6", - "name": "decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "formula": "C10H18", - "smiles": "C1CCC2CCCCC2C1", - "inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" - }, - "DIPPR107": [ - 49361.82897998976, - 581691.3244086001, - 566.5705769501627, - -311127.38193327293, - 628.2607818668097 - ] - }, - { - "identifier": { - "cas": "493-02-7", - "name": "decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "formula": "C10H18", - "smiles": "C1CCC2CCCCC2C1", - "inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" - }, - "DIPPR107": [ - 49361.82897998976, - 601362.9441814974, - 598.5415136007557, - -298320.6685080588, - 702.629515632791 - ] - }, - { - "identifier": { - "cas": "496-11-7", - "name": "indan", - "iupac_name": "2,3-dihydro-1h-indene", - "formula": "C9H10", - "smiles": "C1CC2=CC=CC=C2C1", - "inchi": "InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2" - }, - "DIPPR107": [ - 53027.89200249541, - 365236.4115879519, - 461.0350530389729, - -261406.6089525261, - 501.57769401663336 - ] - }, - { - "identifier": { - "cas": "4960-89-8", - "name": "4960-89-8", - "iupac_name": "bromo(dideuterio)methane", - "formula": "CH3Br", - "smiles": "CBr", - "inchi": "InChI=1S/CH3Br/c1-2/h1H3/i1D2" - }, - "DIPPR107": [ - 33392.89365465144, - 68495.93603891882, - 554.6938466493312, - -38163.415785493715, - 618.1635169246092 - ] - }, - { - "identifier": { - "cas": "498-66-8", - "name": "norfenchene", - "iupac_name": "(1r,4s)-bicyclo[2.2.1]hept-2-ene", - "formula": "C7H10", - "smiles": "C1CC2CC1C=C2", - "inchi": "InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2/t6-,7+" - }, - "DIPPR107": [ - 38974.24221428708, - 338879.9747451519, - 563.4335144129569, - -164901.62456733405, - 640.87371573761 - ] - }, - { - "identifier": { - "cas": "50-00-0", - "name": "formaldehyde", - "iupac_name": "formaldehyde", - "formula": "CH2O", - "smiles": "C=O", - "inchi": "InChI=1S/CH2O/c1-2/h1H2" - }, - "DIPPR107": [ - 33196.89630094733, - 49426.01067996338, - 1774.67596555924, - 25810.465696043448, - 885.7515573103511 - ] - }, - { - "identifier": { - "cas": "503-17-3", - "name": "dimethylacetylene", - "iupac_name": "but-2-yne", - "formula": "C4H6", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "DIPPR107": [ - 58763.093956438126, - 163329.0155359197, - 717.8101234554714, - -89202.14357546662, - 798.2478696674567 - ] - }, - { - "identifier": { - "cas": "503-28-6", - "name": "dimethyldiazene", - "iupac_name": "dimethyldiazene", - "formula": "C2H6N2", - "smiles": "CN=NC", - "inchi": "InChI=1S/C2H6N2/c1-3-4-2/h1-2H3" - }, - "DIPPR107": [ - 48293.43392225414, - 170699.28133462204, - 534.2080751068324, - -137559.26810893617, - 646.4525033997123 - ] - }, - { - "identifier": { - "cas": "503-30-0", - "name": "oxetane", - "iupac_name": "oxetane", - "formula": "C3H6O", - "smiles": "C1COC1", - "inchi": "InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2" - }, - "DIPPR107": [ - 39090.42417803008, - 189199.83390257644, - 776.5608222846561, - -74252.89737835302, - 863.8182663950317 - ] - }, - { - "identifier": { - "cas": "503-31-1", - "name": "2h-thiete", - "iupac_name": "2h-thiete", - "formula": "C3H4S", - "smiles": "C1C=CS1", - "inchi": "InChI=1S/C3H4S/c1-2-4-3-1/h1-2H,3H2" - }, - "DIPPR107": [ - 35059.84678189496, - 138088.85020799644, - 557.8558044249648, - -70031.21538754778, - 625.9146780162342 - ] - }, - { - "identifier": { - "cas": "504-24-5", - "name": "4-aminopyridine", - "iupac_name": "pyridin-4-amine", - "formula": "C5H6N2", - "smiles": "C1=CN=CC=C1N", - "inchi": "InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)" - }, - "DIPPR107": [ - 44396.84102101857, - 236608.94694226712, - 469.32420799716806, - -142128.93363115433, - 538.3109338677691 - ] - }, - { - "identifier": { - "cas": "504-29-0", - "name": "2-aminopyridine", - "iupac_name": "pyridin-2-amine", - "formula": "C5H6N2", - "smiles": "C1=CC=NC(=C1)N", - "inchi": "InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)" - }, - "DIPPR107": [ - 37703.35439568211, - 242222.7604122612, - 432.8180285368501, - -156355.29694207385, - 514.7898085723848 - ] - }, - { - "identifier": { - "cas": "504-64-3", - "name": "carbon suboxide", - "iupac_name": "propa-1,2-diene-1,3-dione", - "formula": "C3O2", - "smiles": "C(=C=O)=C=O", - "inchi": "InChI=1S/C3O2/c4-2-1-3-5" - }, - "DIPPR107": [ - 48807.242968443126, - 62928.87678537311, - 554.9826677982186, - -25753.502408671884, - 706.308616127038 - ] - }, - { - "identifier": { - "cas": "505-22-6", - "name": "1,3-dioxane", - "iupac_name": "1,3-dioxane", - "formula": "C4H8O2", - "smiles": "C1COCOC1", - "inchi": "InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2" - }, - "DIPPR107": [ - 39677.658957381405, - 272525.058649798, - 511.0702772603874, - -195327.11710433086, - 566.0507701747064 - ] - }, - { - "identifier": { - "cas": "505-23-7", - "name": "1,3-dithiane", - "iupac_name": "1,3-dithiane", - "formula": "C4H8S2", - "smiles": "C1CSCSC1", - "inchi": "InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2" - }, - "DIPPR107": [ - 47325.99864669412, - 265575.23234806344, - 489.0781842009102, - -167768.8554189972, - 565.96650193322 - ] - }, - { - "identifier": { - "cas": "505-29-3", - "name": "1,4-dithiane", - "iupac_name": "1,4-dithiane", - "formula": "C4H8S2", - "smiles": "C1CSCCS1", - "inchi": "InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2" - }, - "DIPPR107": [ - 46281.017136980576, - 265581.93629146065, - 487.9431735549705, - -167999.64701535058, - 565.4935136378009 - ] - }, - { - "identifier": { - "cas": "505-65-7", - "name": "1,3-dioxepane", - "iupac_name": "1,3-dioxepane", - "formula": "C5H10O2", - "smiles": "C1CCOCOC1", - "inchi": "InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2" - }, - "DIPPR107": [ - 47287.4122965138, - 334410.0777036221, - 499.0226424464623, - -236524.5250383148, - 561.3963651355891 - ] - }, - { - "identifier": { - "cas": "506-68-3", - "name": "cyanogen bromide", - "iupac_name": "carbononitridic bromide", - "formula": "CBrN", - "smiles": "C(#N)Br", - "inchi": "InChI=1S/CBrN/c2-1-3" - }, - "DIPPR107": [ - 36517.420083532845, - 29214.617828192066, - 500.9780700651697, - -14999.507534050712, - 794.330662025042 - ] - }, - { - "identifier": { - "cas": "506-77-4", - "name": "cyanogen chloride", - "iupac_name": "carbononitridic chloride", - "formula": "CClN", - "smiles": "C(#N)Cl", - "inchi": "InChI=1S/CClN/c2-1-3" - }, - "DIPPR107": [ - 30673.278279945298, - 31377.597683603435, - 405.6003706180033, - -13223.411255697747, - 642.6349599827319 - ] - }, - { - "identifier": { - "cas": "506-78-5", - "name": "cyanogen iodide", - "iupac_name": "carbononitridic iodide", - "formula": "CIN", - "smiles": "C(#N)I", - "inchi": "InChI=1S/CIN/c2-1-3" - }, - "DIPPR107": [ - 38019.63215912988, - 23069.624776034245, - 413.7610651405714, - -7676.821757888595, - 537.3790566733055 - ] - }, - { - "identifier": { - "cas": "506-80-9", - "name": "carbon diselenide", - "iupac_name": "methanediselone", - "formula": "CSe2", - "smiles": "C(=[Se])=[Se]", - "inchi": "InChI=1S/CSe2/c2-1-3" - }, - "DIPPR107": [ - 41571.65, - 20835.145590260363, - 930.739656732554, - 16443.950327537503, - 428.8486162847347 - ] - }, - { - "identifier": { - "cas": "506-96-7", - "name": "acetyl bromide", - "iupac_name": "acetyl bromide", - "formula": "C2H3BrO", - "smiles": "CC(=O)Br", - "inchi": "InChI=1S/C2H3BrO/c1-2(3)4/h1H3" - }, - "DIPPR107": [ - 42703.643196684316, - 105549.37693488524, - 518.9206044937007, - -63939.039174802136, - 663.8871033374679 - ] - }, - { - "identifier": { - "cas": "507-02-8", - "name": "acetyl iodide", - "iupac_name": "acetyl iodide", - "formula": "C2H3IO", - "smiles": "CC(=O)I", - "inchi": "InChI=1S/C2H3IO/c1-2(3)4/h1H3" - }, - "DIPPR107": [ - 43730.93065803829, - 97315.34187538474, - 471.0992126266655, - -58616.82652863556, - 587.4170787463272 - ] - }, - { - "identifier": { - "cas": "507-09-5", - "name": "thioacetic acid", - "iupac_name": "ethanethioic s-acid", - "formula": "C2H4OS", - "smiles": "CC(=O)S", - "inchi": "InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)" - }, - "DIPPR107": [ - 46837.664924819976, - 115328.46053522087, - 466.0522920478515, - -70271.51467198772, - 595.7469667685024 - ] - }, - { - "identifier": { - "cas": "507-16-4", - "name": "thionyl bromide", - "iupac_name": "thionyl bromide", - "formula": "Br2OS", - "smiles": "O=S(Br)Br", - "inchi": "InChI=1S/Br2OS/c1-4(2)3" - }, - "DIPPR107": [ - 42396.883418531186, - 40700.90252603982, - 260.5548733017457, - -10182.031940078432, - 380.2195099693877 - ] - }, - { - "identifier": { - "cas": "507-20-0", - "name": "2-chloro-2-methylpropane", - "iupac_name": "2-chloro-2-methylpropane", - "formula": "C4H9Cl", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "DIPPR107": [ - 55984.10577976925, - 231535.96637061512, - 437.4265513215168, - -166074.02901683582, - 504.1422117689018 - ] - }, - { - "identifier": { - "cas": "507-25-5", - "name": "tetraiodomethane", - "iupac_name": "tetraiodomethane", - "formula": "CI4", - "smiles": "C(I)(I)(I)I", - "inchi": "InChI=1S/CI4/c2-1(3,4)5" - }, - "DIPPR107": [ - 65493.46144384077, - 42623.992873121744, - 229.04323974149764, - -13387.604501298061, - 247.61962760573184 - ] - }, - { - "identifier": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "formula": "C5H10", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "DIPPR107": [ - 56864.47868512559, - 275433.2756468404, - 624.0433281531776, - -159768.60131592012, - 742.1098222908558 - ] - }, - { - "identifier": { - "cas": "513-44-0", - "name": "isobutyl mercaptan", - "iupac_name": "2-methylpropane-1-thiol", - "formula": "C4H10S", - "smiles": "CC(C)CS", - "inchi": "InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "DIPPR107": [ - 60647.3732431164, - 246595.65499805083, - 520.2275613933106, - -141755.11710515304, - 602.4565658970038 - ] - }, - { - "identifier": { - "cas": "513-53-1", - "name": "2-butanethiol", - "iupac_name": "butane-2-thiol", - "formula": "C4H10S", - "smiles": "CCC(C)S", - "inchi": "InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "DIPPR107": [ - 60647.3732431164, - 248482.72291072615, - 502.11862021157015, - -153267.11866344218, - 583.1134856348392 - ] - }, - { - "identifier": { - "cas": "513-81-5", - "name": "2,3-dimethyl-1,3-butadiene", - "iupac_name": "2,3-dimethylbuta-1,3-diene", - "formula": "C6H10", - "smiles": "CC(=C)C(=C)C", - "inchi": "InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3" - }, - "DIPPR107": [ - 59256.36178477772, - 281704.0487550608, - 527.1138108581856, - -155896.72321700255, - 616.2732551424389 - ] - }, - { - "identifier": { - "cas": "5194-50-3", - "name": "cis,trans-hexa-2,4-diene", - "iupac_name": "(2z,4e)-hexa-2,4-diene", - "formula": "C6H10", - "smiles": "CC=CC=CC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3-,6-4+" - }, - "DIPPR107": [ - 61597.01597340389, - 292804.02617033746, - 571.9360070594308, - -150449.85238040707, - 658.9250972614468 - ] - }, - { - "identifier": { - "cas": "5194-51-4", - "name": "5194-51-4", - "iupac_name": "(2e,4e)-hexa-2,4-diene", - "formula": "C6H10", - "smiles": "CC=CC=CC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+" - }, - "DIPPR107": [ - 61597.01597340389, - 291266.6937990321, - 569.7820239041856, - -147583.47952616742, - 659.6530974557179 - ] - }, - { - "identifier": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "formula": "C9H12", - "smiles": "CC1=C(C(=CC=C1)C)C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "DIPPR107": [ - 51393.51610964036, - 405589.57874961913, - 423.3237941147858, - -318904.47976430925, - 530.736673993553 - ] - }, - { - "identifier": { - "cas": "526-75-0", - "name": "2,3-dimethylphenol", - "iupac_name": "2,3-dimethylphenol", - "formula": "C8H10O", - "smiles": "CC1=C(C(=CC=C1)O)C", - "inchi": "InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3" - }, - "DIPPR107": [ - 40134.346970969884, - 356188.37962340907, - 289.7270420354756, - -327523.84060055786, - 378.1078097816138 - ] - }, - { - "identifier": { - "cas": "527-53-7", - "name": "1,2,3,5-tetramethylbenzene", - "iupac_name": "1,2,3,5-tetramethylbenzene", - "formula": "C10H14", - "smiles": "CC1=CC(=C(C(=C1)C)C)C", - "inchi": "InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3" - }, - "DIPPR107": [ - 57733.75527167907, - 461605.1082901466, - 423.9272523086933, - -351732.6139830577, - 533.6326912743075 - ] - }, - { - "identifier": { - "cas": "528-29-0", - "name": "1,2-dinitrobenzene", - "iupac_name": "1,2-dinitrobenzene", - "formula": "C6H4N2O4", - "smiles": "C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]", - "inchi": "InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H" - }, - "DIPPR107": [ - 53379.15999475909, - 307733.6136210979, - 417.6014837875779, - -179734.32548249312, - 475.6020200992983 - ] - }, - { - "identifier": { - "cas": "52921-77-4", - "name": "1,3,5-tribromobenzene-d3", - "iupac_name": "1,3,5-tribromo-2,4,6-trideuteriobenzene", - "formula": "C6H3Br3", - "smiles": "C1=C(C=C(C=C1Br)Br)Br", - "inchi": "InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H/i1D,2D,3D" - }, - "DIPPR107": [ - 67478.62635765577, - 207687.00873430746, - 400.5456160198845, - -105678.96419514582, - 478.0084629998494 - ] - }, - { - "identifier": { - "cas": "53225-40-4", - "name": "53225-40-4", - "iupac_name": "(3s,4r)-3,4-dimethylcyclopentene", - "formula": "C7H12", - "smiles": "CC1CC=CC1C", - "inchi": "InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h3-4,6-7H,5H2,1-2H3/t6-,7-/m1/s1" - }, - "DIPPR107": [ - 62767.030604457745, - 368976.7784254273, - 650.3534251072052, - -179353.43534298896, - 749.9871638774965 - ] - }, - { - "identifier": { - "cas": "53248-82-1", - "name": "bromodichlorodeuteriomethane", - "iupac_name": "bromodichloro-methane-d", - "formula": "CHBrCl2", - "smiles": "ClC(Cl)Br", - "inchi": "InChI=1S/CHBrCl2/c2-1(3)4/h1H/i1D" - }, - "DIPPR107": [ - 41140.917495549584, - 64395.9997021333, - 373.4866168182481, - -23771.939783548365, - 435.0266896721246 - ] - }, - { - "identifier": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "formula": "C5H6O", - "smiles": "CC1=CC=CO1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "DIPPR107": [ - 37713.41174191212, - 220079.6072658373, - 417.9709121736844, - -172382.33923671106, - 473.9051762875926 - ] - }, - { - "identifier": { - "cas": "536-74-3", - "name": "ethynylbenzene", - "iupac_name": "ethynylbenzene", - "formula": "C8H6", - "smiles": "C#CC1=CC=CC=C1", - "inchi": "InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H" - }, - "DIPPR107": [ - 48505.26569467219, - 273982.91739366483, - 584.3101593216975, - -113855.71117264545, - 722.2044231546168 - ] - }, - { - "identifier": { - "cas": "538-68-1", - "name": "pentylbenzene", - "iupac_name": "pentylbenzene", - "formula": "C11H16", - "smiles": "CCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3" - }, - "DIPPR107": [ - 61940.90497577366, - 544530.5589696284, - 534.4087869361829, - -296909.9838656293, - 668.7002869858746 - ] - }, - { - "identifier": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "formula": "C6H4F2", - "smiles": "C1=CC(=CC=C1F)F", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "DIPPR107": [ - 42082.248641442595, - 227448.9801426172, - 465.5964859466285, - -123596.82999114366, - 537.4091445220439 - ] - }, - { - "identifier": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "formula": "C3H7Cl", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "DIPPR107": [ - 51527.46552019731, - 173080.55822464338, - 537.50478565624, - -107048.77402439046, - 580.2021672875885 - ] - }, - { - "identifier": { - "cas": "540-67-0", - "name": "methoxyethane", - "iupac_name": "methoxyethane", - "formula": "C3H8O", - "smiles": "CCOC", - "inchi": "InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3" - }, - "DIPPR107": [ - 50343.72173991342, - 196341.39486208218, - 454.16073897402094, - -160893.1999137498, - 543.4862016652198 - ] - }, - { - "identifier": { - "cas": "541-41-3", - "name": "ethyl chloroformate", - "iupac_name": "ethyl carbonochloridate", - "formula": "C3H5ClO2", - "smiles": "CCOC(=O)Cl", - "inchi": "InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3" - }, - "DIPPR107": [ - 56364.7540041327, - 183740.96823177207, - 468.20298624422526, - -128732.80931221005, - 559.8400702780295 - ] - }, - { - "identifier": { - "cas": "541-73-1", - "name": "1,3-dichlorobenzene", - "iupac_name": "1,3-dichlorobenzene", - "formula": "C6H4Cl2", - "smiles": "C1=CC(=CC(=C1)Cl)Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "DIPPR107": [ - 48205.54289482442, - 214231.99836842515, - 429.87278194524544, - -122394.94150133466, - 492.1742144697173 - ] - }, - { - "identifier": { - "cas": "5417-32-3", - "name": "cis-4,7-dihydro-1,3-dioxepin", - "iupac_name": "4,7-dihydro-1,3-dioxepine", - "formula": "C5H8O2", - "smiles": "C1C=CCOCO1", - "inchi": "InChI=1S/C5H8O2/c1-2-4-7-5-6-3-1/h1-2H,3-5H2" - }, - "DIPPR107": [ - 57387.87664471793, - 279067.1878632282, - 487.8685373745588, - -194326.31715071874, - 560.7111213045567 - ] - }, - { - "identifier": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "formula": "C6H11Cl", - "smiles": "C1CCC(CC1)Cl", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "DIPPR107": [ - 51837.68266835514, - 348695.18971730635, - 473.46931155763457, - -256979.0559899857, - 518.9954823091527 - ] - }, - { - "identifier": { - "cas": "542-69-8", - "name": "1-iodobutane", - "iupac_name": "1-iodobutane", - "formula": "C4H9I", - "smiles": "CCCCI", - "inchi": "InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3" - }, - "DIPPR107": [ - 56803.611175749145, - 231457.40689163812, - 443.773208084196, - -171258.03931400564, - 514.245720109283 - ] - }, - { - "identifier": { - "cas": "542-92-7", - "name": "cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "formula": "C5H6", - "smiles": "C1C=CC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "DIPPR107": [ - 35156.68445235572, - 217765.5747272545, - 623.8861069771264, - -107379.82164894223, - 716.7879634801747 - ] - }, - { - "identifier": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "formula": "C5H11Cl", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "DIPPR107": [ - 62107.10687730945, - 292784.1855218847, - 521.151762658733, - -172685.0674669647, - 611.2354433892239 - ] - }, - { - "identifier": { - "cas": "543-75-9", - "name": "1,4-dioxene", - "iupac_name": "2,3-dihydro-1,4-dioxine", - "formula": "C4H6O2", - "smiles": "C1COC=CO1", - "inchi": "InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-2H,3-4H2" - }, - "DIPPR107": [ - 40506.10307971824, - 225962.55318610734, - 513.0565093469731, - -145706.14434492317, - 565.4602541507924 - ] - }, - { - "identifier": { - "cas": "544-25-2", - "name": "cycloheptatriene", - "iupac_name": "cyclohepta-1,3,5-triene", - "formula": "C7H8", - "smiles": "C1C=CC=CC=C1", - "inchi": "InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2" - }, - "DIPPR107": [ - 41269.599556520356, - 293634.8337559686, - 502.32940171748055, - -186717.9811099434, - 570.380041751553 - ] - }, - { - "identifier": { - "cas": "545-06-2", - "name": "trichloroacetonitrile", - "iupac_name": "2,2,2-trichloroacetonitrile", - "formula": "C2Cl3N", - "smiles": "C(#N)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3N/c3-2(4,5)1-6" - }, - "DIPPR107": [ - 55672.788705853985, - 76683.48140396086, - 371.1334292001267, - -21427.121029141552, - 536.5459176806804 - ] - }, - { - "identifier": { - "cas": "5500-21-0", - "name": "cyclopropanecarbonitrile", - "iupac_name": "cyclopropanecarbonitrile", - "formula": "C4H5N", - "smiles": "C1CC1C#N", - "inchi": "InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2" - }, - "DIPPR107": [ - 49443.24145231353, - 177148.4090157643, - 673.8065967559056, - -77598.19761252824, - 786.8544039079488 - ] - }, - { - "identifier": { - "cas": "551-62-2", - "name": "1,2,3,4-tetrafluorobenzene", - "iupac_name": "1,2,3,4-tetrafluorobenzene", - "formula": "C6H2F4", - "smiles": "C1=CC(=C(C(=C1F)F)F)F", - "inchi": "InChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H" - }, - "DIPPR107": [ - 51560.062501205546, - 225334.89976210622, - 445.7706302435439, - -101653.73223759212, - 539.1123661542721 - ] - }, - { - "identifier": { - "cas": "554-14-3", - "name": "2-methylthiophene", - "iupac_name": "2-methylthiophene", - "formula": "C5H6S", - "smiles": "CC1=CC=CS1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "DIPPR107": [ - 38735.11297418369, - 227472.1881638916, - 441.83281891402754, - -171547.351099308, - 529.2452300385067 - ] - }, - { - "identifier": { - "cas": "556-56-9", - "name": "allyl iodide", - "iupac_name": "3-iodoprop-1-ene", - "formula": "C3H5I", - "smiles": "C=CCI", - "inchi": "InChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2" - }, - "DIPPR107": [ - 44113.868808197156, - 148817.65148836825, - 514.8025794035773, - -83125.45121049872, - 656.157211056802 - ] - }, - { - "identifier": { - "cas": "556-61-6", - "name": "methyl isothiocyanate", - "iupac_name": "methylimino(sulfanylidene)methane", - "formula": "C2H3NS", - "smiles": "CN=C=S", - "inchi": "InChI=1S/C2H3NS/c1-3-2-4/h1H3" - }, - "DIPPR107": [ - 48598.9626071178, - 97207.28764366775, - 615.6269144043931, - -52883.094464920185, - 694.7785637284521 - ] - }, - { - "identifier": { - "cas": "556-64-9", - "name": "methyl thiocyanate", - "iupac_name": "methyl thiocyanate", - "formula": "C2H3NS", - "smiles": "CSC#N", - "inchi": "InChI=1S/C2H3NS/c1-4-2-3/h1H3" - }, - "DIPPR107": [ - 43697.46992928504, - 99280.2884302716, - 483.3876533513254, - -58404.07117412555, - 625.138078959756 - ] - }, - { - "identifier": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "formula": "C8H24O4Si4", - "smiles": "C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "DIPPR107": [ - 193751.31145804984, - 650660.7973896342, - 482.1279940166039, - -391125.46714707714, - 578.5060030301288 - ] - }, - { - "identifier": { - "cas": "556-88-7", - "name": "nitroguanidine", - "iupac_name": "1-nitroguanidine", - "formula": "CH4N4O2", - "smiles": "C(=N)(N)N[N+](=O)[O-]", - "inchi": "InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)" - }, - "DIPPR107": [ - 24140.62531193576, - 223033.85466098684, - 438.1205667617938, - -99568.23462502882, - 656.6968180309874 - ] - }, - { - "identifier": { - "cas": "557-22-2", - "name": "1,2-dithiolane", - "iupac_name": "dithiolane", - "formula": "C3H6S2", - "smiles": "C1CSSC1", - "inchi": "InChI=1S/C3H6S2/c1-2-4-5-3-1/h1-3H2" - }, - "DIPPR107": [ - 44240.48913957869, - 198141.31397910303, - 498.3116572061487, - -134052.16972947313, - 570.0192866640068 - ] - }, - { - "identifier": { - "cas": "557-68-6", - "name": "bromoiodomethane", - "iupac_name": "bromo(iodo)methane", - "formula": "CH2BrI", - "smiles": "C(Br)I", - "inchi": "InChI=1S/CH2BrI/c2-1-3/h1H2" - }, - "DIPPR107": [ - 37324.395064248885, - 63565.301429091596, - 408.9431778820304, - -43240.4012509195, - 488.4244464469209 - ] - }, - { - "identifier": { - "cas": "557-91-5", - "name": "1,1-dibromoethane", - "iupac_name": "1,1-dibromoethane", - "formula": "C2H4Br2", - "smiles": "CC(Br)Br", - "inchi": "InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3" - }, - "DIPPR107": [ - 44070.48145884945, - 122390.56776249662, - 408.33559054213424, - -88492.44797822737, - 501.97777581772567 - ] - }, - { - "identifier": { - "cas": "557-93-7", - "name": "2-bromopropene", - "iupac_name": "2-bromoprop-1-ene", - "formula": "C3H5Br", - "smiles": "CC(=C)Br", - "inchi": "InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3" - }, - "DIPPR107": [ - 45017.69067779873, - 144387.50089505233, - 546.8916985182649, - -75977.7630484793, - 669.3317714509511 - ] - }, - { - "identifier": { - "cas": "557-98-2", - "name": "2-chloropropene", - "iupac_name": "2-chloroprop-1-ene", - "formula": "C3H5Cl", - "smiles": "CC(=C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "DIPPR107": [ - 42684.432529312464, - 145890.74469069697, - 545.2322111495506, - -75638.26336427833, - 662.8305926342216 - ] - }, - { - "identifier": { - "cas": "557-99-3", - "name": "acetyl fluoride", - "iupac_name": "acetyl fluoride", - "formula": "C2H3FO", - "smiles": "CC(=O)F", - "inchi": "InChI=1S/C2H3FO/c1-2(3)4/h1H3" - }, - "DIPPR107": [ - 37117.88732963924, - 111347.61122609348, - 552.4128239169539, - -64782.057559436376, - 670.8088361812269 - ] - }, - { - "identifier": { - "cas": "558-02-1", - "name": "difluoromethane-d", - "iupac_name": "difluoro-methane-d", - "formula": "CH2F2", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2/i1D" - }, - "DIPPR107": [ - 33417.963810664165, - 69058.26890593843, - 540.4078262633135, - -42149.37679433904, - 544.8668272568874 - ] - }, - { - "identifier": { - "cas": "558-13-4", - "name": "carbon tetrabromide", - "iupac_name": "tetrabromomethane", - "formula": "CBr4", - "smiles": "C(Br)(Br)(Br)Br", - "inchi": "InChI=1S/CBr4/c2-1(3,4)5" - }, - "DIPPR107": [ - 44385.0742515948, - 63673.76972139193, - 175.01250231119752, - -28826.91744648861, - 230.83500958478305 - ] - }, - { - "identifier": { - "cas": "558-15-6", - "name": "", - "iupac_name": "", - "formula": "CHBrF2", - "smiles": "FC(F)Br", - "inchi": "InChI=1S/CHBrF2/c2-1(3)4/h1H/i1D" - }, - "DIPPR107": [ - 37361.66125027973, - 68504.01081504996, - 392.3670116678886, - -37655.35497045131, - 441.4676978451874 - ] - }, - { - "identifier": { - "cas": "558-19-0", - "name": "dichlorofluoromethane-d", - "iupac_name": "dichlorofluoro-methane-d", - "formula": "CHCl2F", - "smiles": "FC(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H/i1D" - }, - "DIPPR107": [ - 36116.264150747906, - 69494.94629906386, - 386.5857294918472, - -31625.893861219458, - 440.1031854227017 - ] - }, - { - "identifier": { - "cas": "558-20-3", - "name": "methane-d4", - "iupac_name": "tetradeuteriomethane", - "formula": "CH4", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4/i1D4" - }, - "DIPPR107": [ - 32927.205972440446, - 75052.16042418139, - 1496.6677459658058, - 39802.96100051229, - 719.9500426655625 - ] - }, - { - "identifier": { - "cas": "558-22-5", - "name": "methane-d, trifluoro-", - "iupac_name": "deuterio(trifluoro)methane", - "formula": "CHF3", - "smiles": "C(F)(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H/i1D" - }, - "DIPPR107": [ - 33584.4596015721, - 72321.6427621339, - 455.1062630361415, - -38548.04209622894, - 470.4540383071496 - ] - }, - { - "identifier": { - "cas": "558-37-2", - "name": "3,3-dimethyl-1-butene", - "iupac_name": "3,3-dimethylbut-1-ene", - "formula": "C6H12", - "smiles": "CC(C)(C)C=C", - "inchi": "InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3" - }, - "DIPPR107": [ - 62498.94942352035, - 321173.83912586607, - 553.7701025734372, - -176844.72863090842, - 640.200175987341 - ] - }, - { - "identifier": { - "cas": "558-61-2", - "name": "1-chloro-2,2,3,3-tetrafluorocyclobutane", - "iupac_name": "3-chloro-1,1,2,2-tetrafluorocyclobutane", - "formula": "C4H3ClF4", - "smiles": "C1C(C(C1(F)F)(F)F)Cl", - "inchi": "InChI=1S/C4H3ClF4/c5-2-1-3(6,7)4(2,8)9/h2H,1H2" - }, - "DIPPR107": [ - 56584.31512777342, - 207416.68133471726, - 451.1804301382458, - -89361.59030564083, - 524.7109061315588 - ] - }, - { - "identifier": { - "cas": "559-40-0", - "name": "octafluorocyclopentene", - "iupac_name": "1,2,3,3,4,4,5,5-octafluorocyclopentene", - "formula": "C5F8", - "smiles": "C1(=C(C(C(C1(F)F)(F)F)(F)F)F)F", - "inchi": "InChI=1S/C5F8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9" - }, - "DIPPR107": [ - 71589.07760839458, - 228605.79849526894, - 410.9461740739878, - -92348.00745329024, - 467.2332729851248 - ] - }, - { - "identifier": { - "cas": "56-23-5", - "name": "carbon tetrachloride", - "iupac_name": "tetrachloromethane", - "formula": "CCl4", - "smiles": "C(Cl)(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "DIPPR107": [ - 36160.91670939912, - 72042.35101654907, - 232.1484771508702, - -29987.423378675223, - 265.7238626542045 - ] - }, - { - "identifier": { - "cas": "562-49-2", - "name": "3,3-dimethylpentane", - "iupac_name": "3,3-dimethylpentane", - "formula": "C7H16", - "smiles": "CCC(C)(C)CC", - "inchi": "InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3" - }, - "DIPPR107": [ - 75188.69179107236, - 400693.5132113939, - 450.102255154353, - -298207.235731401, - 522.5792692042367 - ] - }, - { - "identifier": { - "cas": "563-45-1", - "name": "3-methyl-1-butene", - "iupac_name": "3-methylbut-1-ene", - "formula": "C5H10", - "smiles": "CC(C)C=C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3" - }, - "DIPPR107": [ - 52568.96072948698, - 279474.4617135185, - 567.7053018262329, - -160804.38937360543, - 731.4466807739624 - ] - }, - { - "identifier": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "formula": "C5H10", - "smiles": "CCC(=C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "DIPPR107": [ - 53763.04225985696, - 276155.7927394127, - 585.8501777564842, - -159530.9023634091, - 713.1324425325496 - ] - }, - { - "identifier": { - "cas": "563-78-0", - "name": "2,3-dimethyl-1-butene", - "iupac_name": "2,3-dimethylbut-1-ene", - "formula": "C6H12", - "smiles": "CC(C)C(=C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3" - }, - "DIPPR107": [ - 62626.04634120112, - 322222.71078107477, - 537.2628384090431, - -181967.6360064434, - 673.785335331906 - ] - }, - { - "identifier": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "formula": "C6H12", - "smiles": "CC(=C(C)C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "DIPPR107": [ - 66921.56429683974, - 336489.0474286627, - 601.0970119013035, - -214557.41636630677, - 698.6777310216161 - ] - }, - { - "identifier": { - "cas": "563-80-4", - "name": "3-methyl-2-butanone", - "iupac_name": "3-methylbutan-2-one", - "formula": "C5H10O", - "smiles": "CC(C)C(=O)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "DIPPR107": [ - 60311.9988600867, - 269660.46858413547, - 457.9037444588987, - -195919.81727284795, - 536.8038857362238 - ] - }, - { - "identifier": { - "cas": "563-94-0", - "name": "trifluoro-ethene-d", - "iupac_name": "trifluoro-ethene-d", - "formula": "C2HF3", - "smiles": "FC=C(F)F", - "inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H/i1D" - }, - "DIPPR107": [ - 41097.511223354784, - 90583.34278302679, - 443.3866660605439, - -41709.84396405855, - 532.9312339155231 - ] - }, - { - "identifier": { - "cas": "565-61-7", - "name": "3-methyl-2-pentanone", - "iupac_name": "3-methylpentan-2-one", - "formula": "C6H12O", - "smiles": "CCC(C)C(=O)C", - "inchi": "InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3" - }, - "DIPPR107": [ - 68437.97514084529, - 325730.06760231766, - 452.98336688789146, - -234118.17800025738, - 538.4817980240683 - ] - }, - { - "identifier": { - "cas": "565-69-5", - "name": "2-methyl-3-pentanone", - "iupac_name": "2-methylpentan-3-one", - "formula": "C6H12O", - "smiles": "CCC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "DIPPR107": [ - 68437.97514084529, - 325730.06760231766, - 449.13868453635416, - -234118.17800025738, - 538.4817980240683 - ] - }, - { - "identifier": { - "cas": "565-75-3", - "name": "2,3,4-trimethylpentane", - "iupac_name": "2,3,4-trimethylpentane", - "formula": "C8H18", - "smiles": "CC(C)C(C)C(C)C", - "inchi": "InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3" - }, - "DIPPR107": [ - 82984.71125972732, - 456057.7785488285, - 434.88310316273095, - -339892.9785057434, - 513.1093560754347 - ] - }, - { - "identifier": { - "cas": "57-13-6", - "name": "urea", - "iupac_name": "urea", - "formula": "CH4N2O", - "smiles": "C(=O)(N)N", - "inchi": "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" - }, - "DIPPR107": [ - 26167.499320687613, - 142263.45549884383, - 493.4302126275771, - -80147.94540261308, - 620.0940430898941 - ] - }, - { - "identifier": { - "cas": "57-14-7", - "name": "1,1-dimethylhydrazine", - "iupac_name": "1,1-dimethylhydrazine", - "formula": "C2H8N2", - "smiles": "CN(C)N", - "inchi": "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3" - }, - "DIPPR107": [ - 45328.91383501393, - 215277.57594069198, - 523.5694008222051, - -146748.01321987424, - 627.3731444118469 - ] - }, - { - "identifier": { - "cas": "57-57-8", - "name": "beta-propiolactone", - "iupac_name": "oxetan-2-one", - "formula": "C3H4O2", - "smiles": "C1COC1=O", - "inchi": "InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2" - }, - "DIPPR107": [ - 38208.508732448456, - 157314.20222865627, - 509.9007755004965, - -100797.22588315429, - 550.5572242203922 - ] - }, - { - "identifier": { - "cas": "571-58-4", - "name": "1,4-dimethylnaphthalene", - "iupac_name": "1,4-dimethylnaphthalene", - "formula": "C12H12", - "smiles": "CC1=CC=C(C2=CC=CC=C12)C", - "inchi": "InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" - }, - "DIPPR107": [ - 50694.48517733929, - 503354.42185441166, - 535.2769079058054, - -247240.52406625188, - 665.9845107101111 - ] - }, - { - "identifier": { - "cas": "571-61-9", - "name": "1,5-dimethylnaphthalene", - "iupac_name": "1,5-dimethylnaphthalene", - "formula": "C12H12", - "smiles": "CC1=C2C=CC=C(C2=CC=C1)C", - "inchi": "InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3" - }, - "DIPPR107": [ - 50694.48517733929, - 503354.42185441166, - 535.2769079058054, - -247240.52406625188, - 665.9845107101111 - ] - }, - { - "identifier": { - "cas": "573-98-8", - "name": "1,2-dimethylnaphthalene", - "iupac_name": "1,2-dimethylnaphthalene", - "formula": "C12H12", - "smiles": "CC1=C(C2=CC=CC=C2C=C1)C", - "inchi": "InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3" - }, - "DIPPR107": [ - 50694.48517733929, - 503354.42185441166, - 535.2769079058054, - -247240.52406625188, - 665.9845107101111 - ] - }, - { - "identifier": { - "cas": "575-37-1", - "name": "1,7-dimethylnaphthalene", - "iupac_name": "1,7-dimethylnaphthalene", - "formula": "C12H12", - "smiles": "CC1=CC2=C(C=CC=C2C=C1)C", - "inchi": "InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3" - }, - "DIPPR107": [ - 50694.48517733929, - 503320.02516657504, - 532.1903872059532, - -254306.3034519519, - 665.3353517693538 - ] - }, - { - "identifier": { - "cas": "575-41-7", - "name": "1,3-dimethylnaphthalene", - "iupac_name": "1,3-dimethylnaphthalene", - "formula": "C12H12", - "smiles": "CC1=CC2=CC=CC=C2C(=C1)C", - "inchi": "InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3" - }, - "DIPPR107": [ - 50694.48517733929, - 503320.02516657504, - 532.1903872059532, - -254306.3034519519, - 665.3353517693538 - ] - }, - { - "identifier": { - "cas": "575-43-9", - "name": "1,6-dimethylnaphthalene", - "iupac_name": "1,6-dimethylnaphthalene", - "formula": "C12H12", - "smiles": "CC1=CC2=CC=CC(=C2C=C1)C", - "inchi": "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3" - }, - "DIPPR107": [ - 50694.48517733929, - 503320.02516657504, - 532.1903872059532, - -254306.3034519519, - 665.3353517693538 - ] - }, - { - "identifier": { - "cas": "576-24-9", - "name": "2,3-dichlorophenol", - "iupac_name": "2,3-dichlorophenol", - "formula": "C6H4Cl2O", - "smiles": "C1=CC(=C(C(=C1)Cl)Cl)O", - "inchi": "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H" - }, - "DIPPR107": [ - 50334.144122841535, - 251120.0138722044, - 512.997745832558, - -92303.29371349484, - 704.3100420034853 - ] - }, - { - "identifier": { - "cas": "576-26-1", - "name": "2,6-dimethylphenol", - "iupac_name": "2,6-dimethylphenol", - "formula": "C8H10O", - "smiles": "CC1=C(C(=CC=C1)C)O", - "inchi": "InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3" - }, - "DIPPR107": [ - 43604.5612909596, - 354128.10823844094, - 310.0995323279888, - -326640.4393053183, - 390.5547170842698 - ] - }, - { - "identifier": { - "cas": "577-19-5", - "name": "1-bromo-2-nitrobenzene", - "iupac_name": "1-bromo-2-nitrobenzene", - "formula": "C6H4BrNO2", - "smiles": "C1=CC=C(C(=C1)[N+](=O)[O-])Br", - "inchi": "InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 55513.33304338408, - 254721.2213738893, - 442.5919821305968, - -127693.95861252098, - 500.40159895702266 - ] - }, - { - "identifier": { - "cas": "57742-22-0", - "name": "2-propenamide-n,n-d2", - "iupac_name": "2-propenamide-n,n-d2", - "formula": "C3H5NO", - "smiles": "O=C(N)C=C", - "inchi": "InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)/i/hD2" - }, - "DIPPR107": [ - 44762.63965617471, - 196897.44860836834, - 490.8743555238284, - -117199.72530713007, - 576.323242823733 - ] - }, - { - "identifier": { - "cas": "580-13-2", - "name": "2-bromonaphthalene", - "iupac_name": "2-bromonaphthalene", - "formula": "C10H7Br", - "smiles": "C1=CC=C2C=C(C=CC2=C1)Br", - "inchi": "InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H" - }, - "DIPPR107": [ - 48689.44917549089, - 360959.90224882215, - 492.7787020670635, - -171900.5685310278, - 587.2850911292517 - ] - }, - { - "identifier": { - "cas": "58049-91-5", - "name": "3,3-dimethylcyclopentene", - "iupac_name": "3,3-dimethylcyclopentene", - "formula": "C7H12", - "smiles": "CC1(CCC=C1)C", - "inchi": "InChI=1S/C7H12/c1-7(2)5-3-4-6-7/h3,5H,4,6H2,1-2H3" - }, - "DIPPR107": [ - 55884.08302568476, - 376582.3665989664, - 617.7514857245754, - -192605.44965963042, - 694.1882990605316 - ] - }, - { - "identifier": { - "cas": "581-40-8", - "name": "2,3-dimethylnaphthalene", - "iupac_name": "2,3-dimethylnaphthalene", - "formula": "C12H12", - "smiles": "CC1=CC2=CC=CC=C2C=C1C", - "inchi": "InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3" - }, - "DIPPR107": [ - 50694.48517733929, - 503124.0767748857, - 522.404016685492, - -272492.26923158736, - 658.6116513861518 - ] - }, - { - "identifier": { - "cas": "581-42-0", - "name": "2,6-dimethylnaphthalene", - "iupac_name": "2,6-dimethylnaphthalene", - "formula": "C12H12", - "smiles": "CC1=CC2=C(C=C1)C=C(C=C2)C", - "inchi": "InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3" - }, - "DIPPR107": [ - 50694.48517733929, - 503586.12103730795, - 525.7925494795842, - -264030.85906460125, - 664.9699563052619 - ] - }, - { - "identifier": { - "cas": "582-16-1", - "name": "2,7-dimethylnaphthalene", - "iupac_name": "2,7-dimethylnaphthalene", - "formula": "C12H12", - "smiles": "CC1=CC2=C(C=C1)C=CC(=C2)C", - "inchi": "InChI=1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3" - }, - "DIPPR107": [ - 50694.48517733929, - 503586.12103730795, - 525.7925494795842, - -264030.85906460125, - 664.9699563052619 - ] - }, - { - "identifier": { - "cas": "583-48-2", - "name": "3,4-dimethylhexane", - "iupac_name": "3,4-dimethylhexane", - "formula": "C8H18", - "smiles": "CCC(C)C(C)CC", - "inchi": "InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3" - }, - "DIPPR107": [ - 82247.68345914173, - 457576.20844789094, - 443.9975708435471, - -341880.9133940628, - 522.461423363146 - ] - }, - { - "identifier": { - "cas": "583-53-9", - "name": "1,2-dibromobenzene", - "iupac_name": "1,2-dibromobenzene", - "formula": "C6H4Br2", - "smiles": "C1=CC=C(C(=C1)Br)Br", - "inchi": "InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "DIPPR107": [ - 53677.79084981427, - 208727.11913001805, - 419.1504979266544, - -126269.81471790763, - 478.35380276814817 - ] - }, - { - "identifier": { - "cas": "583-58-4", - "name": "3,4-lutidine", - "iupac_name": "3,4-dimethylpyridine", - "formula": "C7H9N", - "smiles": "CC1=C(C=NC=C1)C", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3" - }, - "DIPPR107": [ - 45628.01647094468, - 321140.42933949543, - 482.3462920989912, - -198302.47992805892, - 572.6928703496831 - ] - }, - { - "identifier": { - "cas": "583-61-9", - "name": "2,3-lutidine", - "iupac_name": "2,3-dimethylpyridine", - "formula": "C7H9N", - "smiles": "CC1=C(N=CC=C1)C", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3" - }, - "DIPPR107": [ - 45628.01647094468, - 320823.1224907405, - 482.7020912164087, - -196424.53914262148, - 571.2461872478192 - ] - }, - { - "identifier": { - "cas": "583-78-8", - "name": "2,5-dichlorophenol", - "iupac_name": "2,5-dichlorophenol", - "formula": "C6H4Cl2O", - "smiles": "C1=CC(=C(C=C1Cl)O)Cl", - "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H" - }, - "DIPPR107": [ - 50334.144122841535, - 248436.7985728513, - 491.2955259293776, - -98863.70465165346, - 642.4041780779183 - ] - }, - { - "identifier": { - "cas": "584-12-3", - "name": "2-bromofuran", - "iupac_name": "2-bromofuran", - "formula": "C4H3BrO", - "smiles": "C1=COC(=C1)Br", - "inchi": "InChI=1S/C4H3BrO/c5-4-2-1-3-6-4/h1-3H" - }, - "DIPPR107": [ - 42048.6149021024, - 153985.4486620011, - 433.80020985269874, - -99446.6650100109, - 472.3769254384483 - ] - }, - { - "identifier": { - "cas": "584-94-1", - "name": "2,3-dimethylhexane", - "iupac_name": "2,3-dimethylhexane", - "formula": "C8H18", - "smiles": "CCCC(C)C(C)C", - "inchi": "InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3" - }, - "DIPPR107": [ - 82247.68345914173, - 457576.20844789094, - 444.0360780966453, - -341880.9133940628, - 522.461423363146 - ] - }, - { - "identifier": { - "cas": "585-79-5", - "name": "1-bromo-3-nitrobenzene", - "iupac_name": "1-bromo-3-nitrobenzene", - "formula": "C6H4BrNO2", - "smiles": "C1=CC(=CC(=C1)Br)[N+](=O)[O-]", - "inchi": "InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 55513.33304338408, - 254365.55651100577, - 441.4131671048687, - -127668.78017227357, - 497.9994363704808 - ] - }, - { - "identifier": { - "cas": "586-78-7", - "name": "1-bromo-4-nitrobenzene", - "iupac_name": "1-bromo-4-nitrobenzene", - "formula": "C6H4BrNO2", - "smiles": "C1=CC(=CC=C1[N+](=O)[O-])Br", - "inchi": "InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 55513.33304338408, - 254543.76175759482, - 444.536218069798, - -125926.74881561838, - 499.180616420291 - ] - }, - { - "identifier": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "formula": "C6H12O", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "DIPPR107": [ - 67700.94734025974, - 327248.49750138016, - 451.5059702806392, - -236106.11288857678, - 547.8338653117796 - ] - }, - { - "identifier": { - "cas": "589-63-9", - "name": "4-octanone", - "iupac_name": "octan-4-one", - "formula": "C8H16O", - "smiles": "CCCCC(=O)CCC", - "inchi": "InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3" - }, - "DIPPR107": [ - 83952.89990177694, - 411402.70929715846, - 386.3790558968688, - -332852.70210368454, - 480.65727479307225 - ] - }, - { - "identifier": { - "cas": "589-93-5", - "name": "2,5-dimethylpyridine", - "iupac_name": "2,5-dimethylpyridine", - "formula": "C7H9N", - "smiles": "CC1=CN=C(C=C1)C", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3" - }, - "DIPPR107": [ - 45628.01647094468, - 321918.7547007081, - 512.3524868219986, - -185244.1457612023, - 587.2313057789336 - ] - }, - { - "identifier": { - "cas": "590-11-4", - "name": "(z)-1,2-dibromoethene", - "iupac_name": "(z)-1,2-dibromoethene", - "formula": "C2H2Br2", - "smiles": "C(=CBr)Br", - "inchi": "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-" - }, - "DIPPR107": [ - 40934.614884446746, - 82430.70427079579, - 439.29243344549474, - -39442.82665074611, - 515.954991257508 - ] - }, - { - "identifier": { - "cas": "590-12-5", - "name": "(e)-1,2-dibromoethene", - "iupac_name": "(e)-1,2-dibromoethene", - "formula": "C2H2Br2", - "smiles": "C(=CBr)Br", - "inchi": "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1+" - }, - "DIPPR107": [ - 45531.97043964803, - 77237.91851787407, - 418.3628725600248, - -44670.22763446511, - 486.8868637775128 - ] - }, - { - "identifier": { - "cas": "590-13-6", - "name": "cis-1-bromo-1-propene", - "iupac_name": "(z)-1-bromoprop-1-ene", - "formula": "C3H5Br", - "smiles": "CC=CBr", - "inchi": "InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3/b3-2-" - }, - "DIPPR107": [ - 45713.09315786876, - 147358.8345841338, - 682.4134346916485, - -62267.66536570842, - 768.297945888942 - ] - }, - { - "identifier": { - "cas": "590-15-8", - "name": "1-propenyl bromide", - "iupac_name": "(e)-1-bromoprop-1-ene", - "formula": "C3H5Br", - "smiles": "CC=CBr", - "inchi": "InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3/b3-2+" - }, - "DIPPR107": [ - 45713.09315786876, - 144311.2422177914, - 588.2981631277718, - -74932.86686213265, - 681.7289946186418 - ] - }, - { - "identifier": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "formula": "C4H8", - "smiles": "CC=CC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "DIPPR107": [ - 46807.39307341145, - 217266.51780929955, - 653.4908688791245, - -123674.71091979765, - 747.7140701569582 - ] - }, - { - "identifier": { - "cas": "590-19-2", - "name": "1,2-butadiene", - "iupac_name": "buta-1,2-diene", - "formula": "C4H6", - "smiles": "CC=C=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3" - }, - "DIPPR107": [ - 45274.237123822546, - 175524.0813387653, - 607.2469490627366, - -99393.4920167556, - 744.0777789607567 - ] - }, - { - "identifier": { - "cas": "590-66-9", - "name": "1,1-dimethylcyclohexane", - "iupac_name": "1,1-dimethylcyclohexane", - "formula": "C8H16", - "smiles": "CC1(CCCCC1)C", - "inchi": "InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3" - }, - "DIPPR107": [ - 59295.37380048544, - 503806.198927859, - 587.8756508610267, - -275467.1510913806, - 660.5746411977528 - ] - }, - { - "identifier": { - "cas": "590-67-0", - "name": "1-methylcyclohexanol", - "iupac_name": "1-methylcyclohexan-1-ol", - "formula": "C7H14O", - "smiles": "CC1(CCCCC1)O", - "inchi": "InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3" - }, - "DIPPR107": [ - 66402.75420900527, - 408921.1862253993, - 465.8491595811311, - -301774.03938976146, - 517.8829272219319 - ] - }, - { - "identifier": { - "cas": "591-19-5", - "name": "3-bromoaniline", - "iupac_name": "3-bromoaniline", - "formula": "C6H6BrN", - "smiles": "C1=CC(=CC(=C1)Br)N", - "inchi": "InChI=1S/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2" - }, - "DIPPR107": [ - 47804.05719456806, - 263408.7186578482, - 492.5995069162888, - -121991.03293944488, - 604.4825067003637 - ] - }, - { - "identifier": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "formula": "C7H9N", - "smiles": "CC1=CC(=CN=C1)C", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "DIPPR107": [ - 45628.01647094468, - 321386.1416765539, - 510.6210733285433, - -188270.124051186, - 584.3058974795102 - ] - }, - { - "identifier": { - "cas": "591-50-4", - "name": "iodobenzene", - "iupac_name": "iodobenzene", - "formula": "C6H5I", - "smiles": "C1=CC=C(C=C1)I", - "inchi": "InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H" - }, - "DIPPR107": [ - 44075.52840710725, - 213114.19108246465, - 436.7853385080158, - -136768.40711575764, - 480.8616218101825 - ] - }, - { - "identifier": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "formula": "C6H12O", - "smiles": "CCCCC(=O)C", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "DIPPR107": [ - 67700.94734025974, - 327248.49750138016, - 463.85851733869504, - -236106.11288857678, - 547.8338653117796 - ] - }, - { - "identifier": { - "cas": "591-93-5", - "name": "1,4-pentadiene", - "iupac_name": "penta-1,4-diene", - "formula": "C5H8", - "smiles": "C=CCC=C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2" - }, - "DIPPR107": [ - 47268.16684210801, - 241130.185067237, - 569.3629395669036, - -131173.6860281465, - 730.0162809458328 - ] - }, - { - "identifier": { - "cas": "591-95-7", - "name": "1,2-pentadiene", - "iupac_name": "penta-1,2-diene", - "formula": "C5H8", - "smiles": "CCC=C=C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3" - }, - "DIPPR107": [ - 53400.21340458114, - 236501.35455547663, - 590.63415673376, - -128235.99591118198, - 742.7257090742876 - ] - }, - { - "identifier": { - "cas": "591-96-8", - "name": "1,3-dimethylallene", - "iupac_name": "penta-2,3-diene", - "formula": "C5H8", - "smiles": "CC=C=CC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2H3" - }, - "DIPPR107": [ - 56501.64982984979, - 233250.82431998613, - 605.5232556286118, - -137329.7891566006, - 732.391868494547 - ] - }, - { - "identifier": { - "cas": "592-27-8", - "name": "2-methylheptane", - "iupac_name": "2-methylheptane", - "formula": "C8H18", - "smiles": "CCCCCC(C)C", - "inchi": "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "DIPPR107": [ - 81510.65565855618, - 459094.63834695326, - 449.42821193294577, - -343868.8482823821, - 531.8134906508573 - ] - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "formula": "C6H12", - "smiles": "CCCCC=C", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "DIPPR107": [ - 59957.90920966001, - 341941.6070610934, - 600.078651684571, - -180761.8445331212, - 760.6781570788364 - ] - }, - { - "identifier": { - "cas": "592-57-4", - "name": "1,3-cyclohexadiene", - "iupac_name": "cyclohexa-1,3-diene", - "formula": "C6H8", - "smiles": "C1CC=CC=C1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2" - }, - "DIPPR107": [ - 40260.68373578803, - 271597.28932905715, - 528.699167058306, - -168274.87134973868, - 582.4977766639175 - ] - }, - { - "identifier": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "formula": "C7H14", - "smiles": "CCCCCC=C", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "DIPPR107": [ - 68083.8854904186, - 396818.2943392897, - 552.9750430750704, - -232406.66394843368, - 698.4205512016953 - ] - }, - { - "identifier": { - "cas": "592-90-5", - "name": "oxepane", - "iupac_name": "oxepane", - "formula": "C6H12O", - "smiles": "C1CCCOCC1", - "inchi": "InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2" - }, - "DIPPR107": [ - 49995.57174940299, - 377167.0375564391, - 512.189565328031, - -262500.48568254506, - 570.6595713473722 - ] - }, - { - "identifier": { - "cas": "593-53-3", - "name": "fluoromethane", - "iupac_name": "fluoromethane", - "formula": "CH3F", - "smiles": "CF", - "inchi": "InChI=1S/CH3F/c1-2/h1H3" - }, - "DIPPR107": [ - 33296.93954780504, - 73800.0482706495, - 916.3813558273938, - -29741.471631623946, - 972.7885063917772 - ] - }, - { - "identifier": { - "cas": "593-60-2", - "name": "vinyl bromide", - "iupac_name": "bromoethene", - "formula": "C2H3Br", - "smiles": "C=CBr", - "inchi": "InChI=1S/C2H3Br/c1-2-3/h2H,1H2" - }, - "DIPPR107": [ - 34485.680451841516, - 93134.14842093026, - 583.9620867063255, - -45884.244504826864, - 726.8760933537255 - ] - }, - { - "identifier": { - "cas": "593-66-8", - "name": "vinyl iodide", - "iupac_name": "iodoethene", - "formula": "C2H3I", - "smiles": "C=CI", - "inchi": "InChI=1S/C2H3I/c1-2-3/h2H,1H2" - }, - "DIPPR107": [ - 35987.892527438555, - 91801.25091368439, - 573.205891592918, - -46835.638344800995, - 724.5212465656689 - ] - }, - { - "identifier": { - "cas": "593-70-4", - "name": "chlorofluoromethane", - "iupac_name": "chloro(fluoro)methane", - "formula": "CH2ClF", - "smiles": "C(F)Cl", - "inchi": "InChI=1S/CH2ClF/c2-1-3/h1H2" - }, - "DIPPR107": [ - 33875.0336518714, - 68023.54114350346, - 498.3049619282149, - -47582.9286705913, - 545.6542375792345 - ] - }, - { - "identifier": { - "cas": "593-71-5", - "name": "chloroiodomethane", - "iupac_name": "chloro(iodo)methane", - "formula": "CH2ClI", - "smiles": "C(Cl)I", - "inchi": "InChI=1S/CH2ClI/c2-1-3/h1H2" - }, - "DIPPR107": [ - 36110.505825137436, - 64948.21376969794, - 406.1196574956234, - -47271.76806163631, - 483.5246549248008 - ] - }, - { - "identifier": { - "cas": "593-75-9", - "name": "isocyanomethane", - "iupac_name": "isocyanomethane", - "formula": "C2H3N", - "smiles": "C[N+]#[C-]", - "inchi": "InChI=1S/C2H3N/c1-3-2/h1H3" - }, - "DIPPR107": [ - 38212.42876946342, - 79045.62489912129, - 1050.154979887486, - 27336.025877697943, - 398.3192401475748 - ] - }, - { - "identifier": { - "cas": "593-95-3", - "name": "carbonyl dibromide", - "iupac_name": "carbonyl dibromide", - "formula": "CBr2O", - "smiles": "C(=O)(Br)Br", - "inchi": "InChI=1S/CBr2O/c2-1(3)4" - }, - "DIPPR107": [ - 42084.26789538468, - 40818.32887084824, - 400.9319539205953, - -11277.268825434072, - 582.0656604128051 - ] - }, - { - "identifier": { - "cas": "593-98-6", - "name": "bromochlorofluoromethane", - "iupac_name": "bromo-chloro-fluoromethane", - "formula": "CHBrClF", - "smiles": "C(F)(Cl)Br", - "inchi": "InChI=1S/CHBrClF/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 34362.854208182805, - 68762.91127420143, - 302.98728114158143, - -48289.831594697534, - 379.567852895063 - ] - }, - { - "identifier": { - "cas": "594-15-0", - "name": "tribromochloromethane", - "iupac_name": "tribromo(chloro)methane", - "formula": "CBr3Cl", - "smiles": "C(Cl)(Br)(Br)Br", - "inchi": "InChI=1S/CBr3Cl/c2-1(3,4)5" - }, - "DIPPR107": [ - 42389.39495010453, - 62617.9480649091, - 242.3277798556866, - -68764.33211335327, - 41463.66800859136 - ] - }, - { - "identifier": { - "cas": "594-18-3", - "name": "dibromodichloromethane", - "iupac_name": "dibromo(dichloro)methane", - "formula": "CBr2Cl2", - "smiles": "C(Cl)(Cl)(Br)Br", - "inchi": "InChI=1S/CBr2Cl2/c2-1(3,4)5" - }, - "DIPPR107": [ - 35801.90831489253, - 72223.27470527959, - 188.8030259103953, - -32548.000916918023, - 245.0338187708768 - ] - }, - { - "identifier": { - "cas": "594-20-7", - "name": "2,2-dichloropropane", - "iupac_name": "2,2-dichloropropane", - "formula": "C3H6Cl2", - "smiles": "CC(C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3" - }, - "DIPPR107": [ - 53031.472329983364, - 180281.41018031084, - 516.4030877654059, - -86570.82851170277, - 648.2575540584926 - ] - }, - { - "identifier": { - "cas": "594-22-9", - "name": "5345-59-5", - "iupac_name": "2-chloro-n-(2,2,3-trichloro-1-hydroxybutyl)acetamide", - "formula": "C6H9Cl4NO2", - "smiles": "CC(C(C(NC(=O)CCl)O)(Cl)Cl)Cl", - "inchi": "InChI=1S/C6H9Cl4NO2/c1-3(8)6(9,10)5(13)11-4(12)2-7/h3,5,13H,2H2,1H3,(H,11,12)" - }, - "DIPPR107": [ - 34733.632747631724, - 73284.22787606134, - 195.88878607503955, - -32420.484444110494, - 243.15907545347304 - ] - }, - { - "identifier": { - "cas": "594-24-1", - "name": "difluoromethane-d2", - "iupac_name": "difluoro-methane-d2", - "formula": "CH2F2", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2/i1D2" - }, - "DIPPR107": [ - 33454.48420887513, - 71634.57270530447, - 547.9109481454828, - -36523.62932373075, - 546.103518049943 - ] - }, - { - "identifier": { - "cas": "594-42-3", - "name": "perchloromethyl mercaptan", - "iupac_name": "trichloromethyl thiohypochlorite", - "formula": "CCl4S", - "smiles": "C(SCl)(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4S/c2-1(3,4)6-5" - }, - "DIPPR107": [ - 53211.95536062109, - 81278.6778238345, - 0.1545390453545232, - -100570.41777593645, - 197.845865267874 - ] - }, - { - "identifier": { - "cas": "594-73-0", - "name": "hexabromoethane", - "iupac_name": "1,1,1,2,2,2-hexabromoethane", - "formula": "C2Br6", - "smiles": "C(C(Br)(Br)Br)(Br)(Br)Br", - "inchi": "InChI=1S/C2Br6/c3-1(4,5)2(6,7)8" - }, - "DIPPR107": [ - 45346.72348625482, - 133374.02924352238, - 164.42721200698543, - -60801.82870030024, - 273.3959062375284 - ] - }, - { - "identifier": { - "cas": "594-82-1", - "name": "2,2,3,3-tetramethylbutane", - "iupac_name": "2,2,3,3-tetramethylbutane", - "formula": "C8H18", - "smiles": "CC(C)(C)C(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3" - }, - "DIPPR107": [ - 85855.7082856913, - 493654.5497228931, - 594.878736697923, - -241406.97165008233, - 718.8247841597733 - ] - }, - { - "identifier": { - "cas": "59680-92-1", - "name": "bromide fluoride", - "iupac_name": "bromide fluoride", - "formula": "BrF", - "smiles": "[F].[Br]", - "inchi": "InChI=1S/Br.F" - }, - "DIPPR107": [ - 29421.09521904279, - 8810.61647273518, - 1131.241934099946, - 9430.997385244782, - 524.5405380679213 - ] - }, - { - "identifier": { - "cas": "598-22-1", - "name": "propionyl bromide", - "iupac_name": "propanoyl bromide", - "formula": "C3H5BrO", - "smiles": "CCC(=O)Br", - "inchi": "InChI=1S/C3H5BrO/c1-2-3(4)5/h2H2,1H3" - }, - "DIPPR107": [ - 50829.6194774429, - 164572.2598572949, - 482.0619779251164, - -109608.37067265972, - 645.4698092388513 - ] - }, - { - "identifier": { - "cas": "598-23-2", - "name": "3-methyl-1-butyne", - "iupac_name": "3-methylbut-1-yne", - "formula": "C5H8", - "smiles": "CC(C)C#C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3" - }, - "DIPPR107": [ - 53844.39998314106, - 233638.4222293962, - 593.0595440838797, - -126345.60536587676, - 742.4520349821538 - ] - }, - { - "identifier": { - "cas": "598-25-4", - "name": "3-methyl-1,2-butadiene", - "iupac_name": "3-methylbuta-1,2-diene", - "formula": "C5H8", - "smiles": "CC(=C=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3" - }, - "DIPPR107": [ - 55331.3227355367, - 233595.24094639142, - 586.2868128875552, - -134533.63300913418, - 730.4202320103891 - ] - }, - { - "identifier": { - "cas": "598-26-5", - "name": "598-26-5", - "iupac_name": "2-methylprop-1-en-1-one", - "formula": "C4H6O", - "smiles": "CC(=C=O)C", - "inchi": "InChI=1S/C4H6O/c1-4(2)3-5/h1-2H3" - }, - "DIPPR107": [ - 53017.27525442227, - 187041.5943116928, - 555.704939620434, - -119008.24982155128, - 696.6321779532436 - ] - }, - { - "identifier": { - "cas": "598-50-5", - "name": "methylurea", - "iupac_name": "methylurea", - "formula": "C2H6N2O", - "smiles": "CNC(=O)N", - "inchi": "InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)" - }, - "DIPPR107": [ - 17645.29229762369, - 212318.102183942, - 441.3948541509625, - -123746.71760384005, - 589.4078973699977 - ] - }, - { - "identifier": { - "cas": "598-73-2", - "name": "bromotrifluoroethylene", - "iupac_name": "1-bromo-1,2,2-trifluoroethene", - "formula": "C2BrF3", - "smiles": "C(=C(F)Br)(F)F", - "inchi": "InChI=1S/C2BrF3/c3-1(4)2(5)6" - }, - "DIPPR107": [ - 47686.79549050601, - 84940.20653225493, - 363.39478269642336, - -37206.45169449098, - 463.9117087466429 - ] - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "formula": "C4H10O", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "DIPPR107": [ - 57680.29418717134, - 254379.98744776775, - 394.5043633878294, - -243126.9827180806, - 519.7453299813741 - ] - }, - { - "identifier": { - "cas": "60-34-4", - "name": "methylhydrazine", - "iupac_name": "methylhydrazine", - "formula": "CH6N2", - "smiles": "CNN", - "inchi": "InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3" - }, - "DIPPR107": [ - 10417.560400927465, - 169743.0105897712, - 422.8203824734571, - -116075.30512049035, - 565.8766052341689 - ] - }, - { - "identifier": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "formula": "C2H5NO", - "smiles": "CC(=O)N", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "DIPPR107": [ - 34640.95183583332, - 163738.52482091758, - 636.1462789433893, - -94683.44575935887, - 790.6349178203512 - ] - }, - { - "identifier": { - "cas": "608-93-5", - "name": "pentachlorobenzene", - "iupac_name": "1,2,3,4,5-pentachlorobenzene", - "formula": "C6HCl5", - "smiles": "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl", - "inchi": "InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" - }, - "DIPPR107": [ - 74083.7194922378, - 202555.4259675384, - 360.7276404462015, - -99653.28744981582, - 438.5484810750349 - ] - }, - { - "identifier": { - "cas": "609-26-7", - "name": "3-ethyl-2-methylpentane", - "iupac_name": "3-ethyl-2-methylpentane", - "formula": "C8H18", - "smiles": "CCC(CC)C(C)C", - "inchi": "InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3" - }, - "DIPPR107": [ - 82247.68345914173, - 457576.20844789094, - 442.546653912214, - -341880.9133940628, - 522.461423363146 - ] - }, - { - "identifier": { - "cas": "609-73-4", - "name": "o-iodonitrobenzene", - "iupac_name": "1-iodo-2-nitrobenzene", - "formula": "C6H4INO2", - "smiles": "C1=CC=C(C(=C1)[N+](=O)[O-])I", - "inchi": "InChI=1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 56540.62050473805, - 253309.97124780467, - 430.4037547209068, - -131805.82065405115, - 492.5158334051905 - ] - }, - { - "identifier": { - "cas": "6108-61-8", - "name": "(2z,4z)-2,4-hexadiene", - "iupac_name": "(2z,4z)-hexa-2,4-diene", - "formula": "C6H10", - "smiles": "CC=CC=CC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3-,6-4-" - }, - "DIPPR107": [ - 61597.01597340389, - 291061.0769440526, - 565.6146238590035, - -157363.69776641304, - 671.2687137602671 - ] - }, - { - "identifier": { - "cas": "611-14-3", - "name": "1-ethyl-2-methylbenzene", - "iupac_name": "1-ethyl-2-methylbenzene", - "formula": "C9H12", - "smiles": "CCC1=CC=CC=C1C", - "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" - }, - "DIPPR107": [ - 43903.21529553656, - 430405.8790705431, - 526.0035363352633, - -241522.56556205123, - 670.6113790211712 - ] - }, - { - "identifier": { - "cas": "611-15-4", - "name": "2-methylstyrene", - "iupac_name": "1-ethenyl-2-methylbenzene", - "formula": "C9H10", - "smiles": "CC1=CC=CC=C1C=C", - "inchi": "InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3" - }, - "DIPPR107": [ - 53570.0656030568, - 379194.29956874455, - 554.9662449734249, - -201200.7409477442, - 685.6956687375906 - ] - }, - { - "identifier": { - "cas": "611-20-1", - "name": "2-hydroxybenzonitrile", - "iupac_name": "2-hydroxybenzonitrile", - "formula": "C7H5NO", - "smiles": "C1=CC=C(C(=C1)C#N)O", - "inchi": "InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H" - }, - "DIPPR107": [ - 49002.45337723983, - 266429.43663486524, - 459.6235736940556, - -154398.62676125055, - 543.0678207522701 - ] - }, - { - "identifier": { - "cas": "6117-98-2", - "name": "2,3-dimethyldodecane", - "iupac_name": "2,3-dimethyldodecane", - "formula": "C14H30", - "smiles": "CCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C14H30/c1-5-6-7-8-9-10-11-12-14(4)13(2)3/h13-14H,5-12H2,1-4H3" - }, - "DIPPR107": [ - 131003.5411436933, - 762082.2220492597, - 452.6619436581345, - -514835.4968264036, - 514.725910106594 - ] - }, - { - "identifier": { - "cas": "612-55-5", - "name": "2-iodonaphthalene", - "iupac_name": "2-iodonaphthalene", - "formula": "C10H7I", - "smiles": "C1=CC=C2C=C(C=CC2=C1)I", - "inchi": "InChI=1S/C10H7I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H" - }, - "DIPPR107": [ - 49716.736636844864, - 360760.477070776, - 489.4840111705026, - -175050.5473005079, - 584.9047979295665 - ] - }, - { - "identifier": { - "cas": "61394-27-2", - "name": "61394-27-2", - "iupac_name": "(3s,5s)-3,5-dimethylcyclopentene", - "formula": "C7H12", - "smiles": "CC1CC(C=C1)C", - "inchi": "InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7-/m1/s1" - }, - "DIPPR107": [ - 62767.030604457745, - 369365.3682046109, - 651.1619633183449, - -179537.696744309, - 751.8118683952146 - ] - }, - { - "identifier": { - "cas": "615-36-1", - "name": "2-bromoaniline", - "iupac_name": "2-bromoaniline", - "formula": "C6H6BrN", - "smiles": "C1=CC=C(C(=C1)N)Br", - "inchi": "InChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2" - }, - "DIPPR107": [ - 47804.05719456806, - 263169.1549085127, - 496.75978855867896, - -120511.70001731544, - 607.7464560157243 - ] - }, - { - "identifier": { - "cas": "615-42-9", - "name": "1,2-diiodobenzene", - "iupac_name": "1,2-diiodobenzene", - "formula": "C6H4I2", - "smiles": "C1=CC=C(C(=C1)I)I", - "inchi": "InChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "DIPPR107": [ - 60554.856833890786, - 202389.6839585775, - 424.8027233904315, - -123518.47891799326, - 483.9492885982331 - ] - }, - { - "identifier": { - "cas": "616-12-6", - "name": "trans-3-methyl-2-pentene", - "iupac_name": "(e)-3-methylpent-2-ene", - "formula": "C6H12", - "smiles": "CCC(=CC)C", - "inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+" - }, - "DIPPR107": [ - 64990.454965884186, - 319229.6162866735, - 596.3207845569582, - -171412.390087972, - 687.3821098010634 - ] - }, - { - "identifier": { - "cas": "616-43-3", - "name": "3-methylpyrrole", - "iupac_name": "3-methyl-1h-pyrrole", - "formula": "C5H7N", - "smiles": "CC1=CNC=C1", - "inchi": "InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3" - }, - "DIPPR107": [ - 38978.12714746529, - 237153.6745594647, - 442.5653931977042, - -178974.4003863013, - 495.783442729567 - ] - }, - { - "identifier": { - "cas": "616-44-4", - "name": "3-methylthiophene", - "iupac_name": "3-methylthiophene", - "formula": "C5H6S", - "smiles": "CC1=CSC=C1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "DIPPR107": [ - 38735.11297418369, - 221645.78404100492, - 526.2536138751468, - -108674.75110247047, - 610.95252141219 - ] - }, - { - "identifier": { - "cas": "616-45-5", - "name": "2-pyrrolidinone", - "iupac_name": "pyrrolidin-2-one", - "formula": "C4H7NO", - "smiles": "C1CC(=O)NC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "DIPPR107": [ - 39074.50305165954, - 246538.0578662233, - 494.5358744061012, - -171239.98702775125, - 542.0136572304913 - ] - }, - { - "identifier": { - "cas": "6163-64-0", - "name": "2-methyl-2-methylsulfanylpropane", - "iupac_name": "2-methyl-2-methylsulfanylpropane", - "formula": "C5H12S", - "smiles": "CC(C)(C)SC", - "inchi": "InChI=1S/C5H12S/c1-5(2,3)6-4/h1-4H3" - }, - "DIPPR107": [ - 65022.48915976468, - 317694.5135396689, - 501.69308545883615, - -191268.88389092937, - 598.6005676941402 - ] - }, - { - "identifier": { - "cas": "6165-96-4", - "name": "1,3,5,7-octatetrayne", - "iupac_name": "octa-1,3,5,7-tetrayne", - "formula": "C8H2", - "smiles": "C#CC#CC#CC#C", - "inchi": "InChI=1S/C8H2/c1-3-5-7-8-6-4-2/h1-2H" - }, - "DIPPR107": [ - 95183.7166346958, - 138851.4576102081, - 626.8547033066961, - -59881.909280168176, - 892.5209533488629 - ] - }, - { - "identifier": { - "cas": "619-99-8", - "name": "3-ethylhexane", - "iupac_name": "3-ethylhexane", - "formula": "C8H18", - "smiles": "CCCC(CC)CC", - "inchi": "InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3" - }, - "DIPPR107": [ - 81510.65565855618, - 459094.63834695326, - 444.5644821833822, - -343868.8482823821, - 531.8134906508573 - ] - }, - { - "identifier": { - "cas": "6196-85-6", - "name": "1-chloro-1-methylcyclopentane", - "iupac_name": "1-chloro-1-methylcyclopentane", - "formula": "C6H11Cl", - "smiles": "CC1(CCCC1)Cl", - "inchi": "InChI=1S/C6H11Cl/c1-6(7)4-2-3-5-6/h2-5H2,1H3" - }, - "DIPPR107": [ - 54493.76883949775, - 322036.14772724675, - 449.29554396294, - -224159.19074619803, - 515.1571580225564 - ] - }, - { - "identifier": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "formula": "C6H7N", - "smiles": "C1=CC=C(C=C1)N", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "DIPPR107": [ - 37363.5183083586, - 260157.5668993569, - 419.047499496285, - -179716.37612929955, - 483.95906355848064 - ] - }, - { - "identifier": { - "cas": "62-56-6", - "name": "thiourea", - "iupac_name": "thiourea", - "formula": "CH4N2S", - "smiles": "C(=S)(N)N", - "inchi": "InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)" - }, - "DIPPR107": [ - 41546.20566244732, - 115870.29907624233, - 487.1787381629703, - -66088.8147688592, - 605.059096245877 - ] - }, - { - "identifier": { - "cas": "620-14-4", - "name": "3-ethyltoluene", - "iupac_name": "1-ethyl-3-methylbenzene", - "formula": "C9H12", - "smiles": "CCC1=CC=CC(=C1)C", - "inchi": "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3" - }, - "DIPPR107": [ - 43903.21529553656, - 430908.96087837225, - 540.2887135026867, - -236366.88495673196, - 674.8631080260513 - ] - }, - { - "identifier": { - "cas": "62184-82-1", - "name": "1,3-dimethylcyclopentene", - "iupac_name": "1,3-dimethylcyclopentene", - "formula": "C7H12", - "smiles": "CC1CCC(=C1)C", - "inchi": "InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h5-6H,3-4H2,1-2H3" - }, - "DIPPR107": [ - 63877.0265166057, - 368323.5531509236, - 647.170898741998, - -185626.04710665694, - 745.058687728093 - ] - }, - { - "identifier": { - "cas": "622-45-7", - "name": "cyclohexyl acetate", - "iupac_name": "cyclohexyl acetate", - "formula": "C8H14O2", - "smiles": "CC(=O)OC1CCCCC1", - "inchi": "InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3" - }, - "DIPPR107": [ - 78016.61186084653, - 455003.3635872436, - 473.3055828430328, - -333968.7909845595, - 521.4900612646909 - ] - }, - { - "identifier": { - "cas": "622-96-8", - "name": "4-ethyltoluene", - "iupac_name": "1-ethyl-4-methylbenzene", - "formula": "C9H12", - "smiles": "CCC1=CC=C(C=C1)C", - "inchi": "InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3" - }, - "DIPPR107": [ - 43903.21529553656, - 431041.6744261159, - 539.9677747872305, - -240098.0035995772, - 674.3340923619332 - ] - }, - { - "identifier": { - "cas": "622-97-9", - "name": "1-ethenyl-4-methylbenzene", - "iupac_name": "1-ethenyl-4-methylbenzene", - "formula": "C9H10", - "smiles": "CC1=CC=C(C=C1)C=C", - "inchi": "InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3" - }, - "DIPPR107": [ - 53570.0656030568, - 379194.29956874455, - 554.9662449734249, - -201200.7409477442, - 685.6956687375906 - ] - }, - { - "identifier": { - "cas": "6222-35-1", - "name": "cyclohexyl propionate", - "iupac_name": "cyclohexyl propanoate", - "formula": "C9H16O2", - "smiles": "CCC(=O)OC1CCCCC1", - "inchi": "InChI=1S/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "DIPPR107": [ - 89303.09994211249, - 505775.0451535542, - 451.3781317878573, - -383856.5771701963, - 518.1010571074904 - ] - }, - { - "identifier": { - "cas": "624-29-3", - "name": "1,4-dimethylcyclohexane", - "iupac_name": "1,4-dimethylcyclohexane", - "formula": "C8H16", - "smiles": "CC1CCC(CC1)C", - "inchi": "InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3" - }, - "DIPPR107": [ - 66178.32137925843, - 494615.48651490954, - 607.400957524071, - -260652.50069011629, - 690.3129872206641 - ] - }, - { - "identifier": { - "cas": "624-38-4", - "name": "1,4-diiodobenzene", - "iupac_name": "1,4-diiodobenzene", - "formula": "C6H4I2", - "smiles": "C1=CC(=CC=C1I)I", - "inchi": "InChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "DIPPR107": [ - 58241.59617943324, - 204684.91340210414, - 422.4622731804005, - -123291.79156620246, - 482.8738153504252 - ] - }, - { - "identifier": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "formula": "C4H8", - "smiles": "CC=CC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "DIPPR107": [ - 46807.39307341145, - 216913.95010960643, - 591.9583932922316, - -137910.75815590363, - 708.3207082085096 - ] - }, - { - "identifier": { - "cas": "624-65-7", - "name": "propargyl chloride", - "iupac_name": "3-chloroprop-1-yne", - "formula": "C3H3Cl", - "smiles": "C#CCCl", - "inchi": "InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2" - }, - "DIPPR107": [ - 42566.827482652945, - 111395.55499494416, - 586.619881604889, - -56099.11368138341, - 769.8928196076588 - ] - }, - { - "identifier": { - "cas": "624-89-5", - "name": "ethyl methyl sulfide", - "iupac_name": "methylsulfanylethane", - "formula": "C3H8S", - "smiles": "CCSC", - "inchi": "InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3" - }, - "DIPPR107": [ - 46229.49638438712, - 201776.87454428914, - 510.4084996709328, - -126800.01144909178, - 618.5617966208309 - ] - }, - { - "identifier": { - "cas": "624-90-8", - "name": "methyl azide", - "iupac_name": "azidomethane", - "formula": "CH3N3", - "smiles": "CN=[N+]=[N-]", - "inchi": "InChI=1S/CH3N3/c1-3-4-2/h1H3" - }, - "DIPPR107": [ - 42842.76415001977, - 109260.7094784224, - 1161.0088183509292, - 45889.66679076034, - 471.6986861871695 - ] - }, - { - "identifier": { - "cas": "624-91-9", - "name": "methyl nitrite", - "iupac_name": "methyl nitrite", - "formula": "CH3NO2", - "smiles": "CON=O", - "inchi": "InChI=1S/CH3NO2/c1-4-2-3/h1H3" - }, - "DIPPR107": [ - 47473.38209452436, - 99321.20016442814, - 546.7065352319443, - -67366.81695101642, - 593.2596168946 - ] - }, - { - "identifier": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "formula": "C2H6S2", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "DIPPR107": [ - 44189.270033838045, - 161613.71802655474, - 434.8441180367407, - -108838.14612737756, - 564.5566947970417 - ] - }, - { - "identifier": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "formula": "C6H12", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - }, - "DIPPR107": [ - 64990.454965884186, - 319229.6162866735, - 596.3207845569582, - -171412.390087972, - 687.3821098010634 - ] - }, - { - "identifier": { - "cas": "625-80-9", - "name": "diisopropyl sulfide", - "iupac_name": "2-propan-2-ylsulfanylpropane", - "formula": "C6H14S", - "smiles": "CC(C)SC(C)C", - "inchi": "InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "DIPPR107": [ - 72081.48082783406, - 364537.51082656294, - 503.63650955961776, - -200210.3484161421, - 608.7012532759765 - ] - }, - { - "identifier": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "formula": "C6H8O", - "smiles": "CC1=CC=C(O1)C", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "DIPPR107": [ - 41466.050706667214, - 264241.8744805322, - 316.0387478639409, - -264391.46458599064, - 395.9660233656393 - ] - }, - { - "identifier": { - "cas": "625-98-9", - "name": "1-chloro-3-fluorobenzene", - "iupac_name": "1-chloro-3-fluorobenzene", - "formula": "C6H4ClF", - "smiles": "C1=CC(=CC(=C1)Cl)F", - "inchi": "InChI=1S/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "DIPPR107": [ - 43873.35871677037, - 216978.55580274054, - 417.4104421862719, - -128566.9107589079, - 469.8615699682501 - ] - }, - { - "identifier": { - "cas": "626-00-6", - "name": "1,3-diiodobenzene", - "iupac_name": "1,3-diiodobenzene", - "formula": "C6H4I2", - "smiles": "C1=CC(=CC(=C1)I)I", - "inchi": "InChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "DIPPR107": [ - 64162.38833548224, - 198832.54499779016, - 430.3065005138892, - -122367.90402719437, - 485.4143869112568 - ] - }, - { - "identifier": { - "cas": "626-39-1", - "name": "1,3,5-tribromobenzene", - "iupac_name": "1,3,5-tribromobenzene", - "formula": "C6H3Br3", - "smiles": "C1=C(C=C(C=C1Br)Br)Br", - "inchi": "InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H" - }, - "DIPPR107": [ - 66087.71330687142, - 200792.87742201608, - 397.1965545149381, - -116239.90683378058, - 465.4557425077803 - ] - }, - { - "identifier": { - "cas": "6262-42-6", - "name": "tetrachlorocyclopropene", - "iupac_name": "1,2,3,3-tetrachlorocyclopropene", - "formula": "C3Cl4", - "smiles": "C1(=C(C1(Cl)Cl)Cl)Cl", - "inchi": "InChI=1S/C3Cl4/c4-1-2(5)3(1,6)7" - }, - "DIPPR107": [ - 55074.939291829396, - 102537.04881190314, - 346.8099258051398, - -34347.725508493204, - 437.5439958783402 - ] - }, - { - "identifier": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "formula": "C5H8", - "smiles": "CCCC#C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "DIPPR107": [ - 53107.3721825555, - 233372.1083263649, - 565.0800651361412, - -137410.18889467765, - 713.8931353328932 - ] - }, - { - "identifier": { - "cas": "627-20-3", - "name": "cis-2-pentene", - "iupac_name": "(z)-pent-2-ene", - "formula": "C5H10", - "smiles": "CCC=CC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-" - }, - "DIPPR107": [ - 54933.369354170034, - 278134.13539941417, - 649.8846235139391, - -151317.0348990624, - 755.0299270575318 - ] - }, - { - "identifier": { - "cas": "627-21-4", - "name": "2-pentyne", - "iupac_name": "pent-2-yne", - "formula": "C5H8", - "smiles": "CCC#CC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3" - }, - "DIPPR107": [ - 66889.07023719673, - 224216.33699502595, - 686.7343950010409, - -122133.26024430143, - 792.215808961952 - ] - }, - { - "identifier": { - "cas": "627-26-9", - "name": "crotononitrile", - "iupac_name": "(e)-but-2-enenitrile", - "formula": "C4H5N", - "smiles": "CC=CC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+" - }, - "DIPPR107": [ - 52401.34289906797, - 158416.661743849, - 578.0094817927373, - -84245.51975747653, - 655.6767290632065 - ] - }, - { - "identifier": { - "cas": "628-41-1", - "name": "1,4-cyclohexadiene", - "iupac_name": "cyclohexa-1,4-diene", - "formula": "C6H8", - "smiles": "C1C=CCC=C1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2" - }, - "DIPPR107": [ - 42213.82697831625, - 270578.6747629882, - 540.8919240533212, - -166497.82465775285, - 595.7320334096769 - ] - }, - { - "identifier": { - "cas": "628-92-2", - "name": "cycloheptene", - "iupac_name": "cycloheptene", - "formula": "C7H12", - "smiles": "C1CCC=CCC1", - "inchi": "InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2" - }, - "DIPPR107": [ - 46097.795359847, - 379957.20134802436, - 498.80142388205365, - -264816.0265625066, - 567.0991307972282 - ] - }, - { - "identifier": { - "cas": "629-19-6", - "name": "dipropyl disulfide", - "iupac_name": "1-(propyldisulfanyl)propane", - "formula": "C6H14S2", - "smiles": "CCCSSCCC", - "inchi": "InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3" - }, - "DIPPR107": [ - 76693.17515687243, - 406957.9098708679, - 478.3137888460055, - -261237.81510028095, - 593.571930835621 - ] - }, - { - "identifier": { - "cas": "629-20-9", - "name": "cyclooctatetraene", - "iupac_name": "cyclooctatetraene", - "formula": "C8H8", - "smiles": "C1=CC=CC=CC=C1", - "inchi": "InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-" - }, - "DIPPR107": [ - 49451.973613686605, - 309087.0350549184, - 493.7923222617594, - -189519.88101086373, - 563.9205310821775 - ] - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "formula": "C15H32", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "DIPPR107": [ - 137655.46182328078, - 853100.2613732911, - 461.730619371146, - -613245.3082625672, - 552.9109439534799 - ] - }, - { - "identifier": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "formula": "C16H32", - "smiles": "CCCCCCCCCCCCCCC=C", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "DIPPR107": [ - 141217.672017246, - 929593.1368664793, - 531.0573484241073, - -549151.2123106692, - 681.0089122408174 - ] - }, - { - "identifier": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "formula": "CO", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "DIPPR107": [ - 29186.54667124468, - 8980.043598025135, - 1711.248721430388, - -249.13478654874794, - 126.86871456728308 - ] - }, - { - "identifier": { - "cas": "630-20-6", - "name": "1,1,1,2-tetrachloroethane", - "iupac_name": "1,1,1,2-tetrachloroethane", - "formula": "C2H2Cl4", - "smiles": "C(C(Cl)(Cl)Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2" - }, - "DIPPR107": [ - 52077.868774401446, - 125296.44159696095, - 355.52199231296663, - -71707.0538718358, - 450.7044470469119 - ] - }, - { - "identifier": { - "cas": "634-66-2", - "name": "1,2,3,4-tetrachlorobenzene", - "iupac_name": "1,2,3,4-tetrachlorobenzene", - "formula": "C6H2Cl4", - "smiles": "C1=CC(=C(C(=C1Cl)Cl)Cl)Cl", - "inchi": "InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H" - }, - "DIPPR107": [ - 65741.53531849511, - 206119.8859410652, - 384.30578406342966, - -107928.92852610209, - 456.2533035380133 - ] - }, - { - "identifier": { - "cas": "634-67-3", - "name": "2,3,4-trichloroaniline", - "iupac_name": "2,3,4-trichloroaniline", - "formula": "C6H4Cl3N", - "smiles": "C1=CC(=C(C(=C1N)Cl)Cl)Cl", - "inchi": "InChI=1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2" - }, - "DIPPR107": [ - 62155.167393567186, - 251359.25493946974, - 406.3856735347166, - -132848.901856385, - 494.38844931836064 - ] - }, - { - "identifier": { - "cas": "634-90-2", - "name": "1,2,3,5-tetrachlorobenzene", - "iupac_name": "1,2,3,5-tetrachlorobenzene", - "formula": "C6H2Cl4", - "smiles": "C1=C(C=C(C(=C1Cl)Cl)Cl)Cl", - "inchi": "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H" - }, - "DIPPR107": [ - 65741.53531849511, - 206068.4331602703, - 381.8224369392901, - -108209.39748653636, - 455.1941071564444 - ] - }, - { - "identifier": { - "cas": "634-93-5", - "name": "2,4,6-trichloroaniline", - "iupac_name": "2,4,6-trichloroaniline", - "formula": "C6H4Cl3N", - "smiles": "C1=C(C=C(C(=C1Cl)N)Cl)Cl", - "inchi": "InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2" - }, - "DIPPR107": [ - 62155.167393567186, - 251245.89337144297, - 405.602601390726, - -131556.7353169292, - 496.2737969549465 - ] - }, - { - "identifier": { - "cas": "636-30-6", - "name": "2,4,5-trichloroaniline", - "iupac_name": "2,4,5-trichloroaniline", - "formula": "C6H4Cl3N", - "smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)N", - "inchi": "InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2" - }, - "DIPPR107": [ - 62155.167393567186, - 251531.43229745704, - 404.9809406973067, - -134098.04445265842, - 494.5010002154641 - ] - }, - { - "identifier": { - "cas": "636-41-9", - "name": "2-methyl-1h-pyrrole", - "iupac_name": "2-methyl-1h-pyrrole", - "formula": "C5H7N", - "smiles": "CC1=CC=CN1", - "inchi": "InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3" - }, - "DIPPR107": [ - 39056.38122642814, - 237082.19920712075, - 443.9232301094808, - -177797.39631393392, - 496.7928470178402 - ] - }, - { - "identifier": { - "cas": "636-98-6", - "name": "1-iodo-4-nitrobenzene", - "iupac_name": "1-iodo-4-nitrobenzene", - "formula": "C6H4INO2", - "smiles": "C1=CC(=CC=C1[N+](=O)[O-])I", - "inchi": "InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 56540.62050473805, - 253613.56004104446, - 442.2656969975577, - -126673.93510255177, - 498.5282526965793 - ] - }, - { - "identifier": { - "cas": "638-02-8", - "name": "2,5-dimethylthiophene", - "iupac_name": "2,5-dimethylthiophene", - "formula": "C6H8S", - "smiles": "CC1=CC=C(S1)C", - "inchi": "InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "DIPPR107": [ - 45075.352136222384, - 277112.9807147762, - 413.2927104054762, - -209796.3537216832, - 490.3464678863693 - ] - }, - { - "identifier": { - "cas": "638-04-0", - "name": "cis-1,3-dimethylcyclohexane", - "iupac_name": "cis-(1r,3s)-1,3-dimethylcyclohexane", - "formula": "C8H16", - "smiles": "CC1CCCC(C1)C", - "inchi": "InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+" - }, - "DIPPR107": [ - 66178.32137925843, - 493614.8818930112, - 577.1111064579055, - -285822.2386704028, - 641.381913988997 - ] - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "formula": "C2H6O", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "DIPPR107": [ - 40571.06360714266, - 142140.86992054974, - 528.1036562825846, - -102432.43633514259, - 594.9068573403491 - ] - }, - { - "identifier": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "formula": "CH2O2", - "smiles": "C(=O)O", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "DIPPR107": [ - 33666.09598291037, - 73839.93501002656, - 1328.6342850979302, - 42457.295380903604, - 581.9001780968758 - ] - }, - { - "identifier": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "formula": "C2H4O2", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "DIPPR107": [ - 40121.07170388975, - 135411.28879125594, - 617.5870610372995, - -70231.11707603991, - 725.600515844001 - ] - }, - { - "identifier": { - "cas": "645-00-1", - "name": "1-iodo-3-nitrobenzene", - "iupac_name": "1-iodo-3-nitrobenzene", - "formula": "C6H4INO2", - "smiles": "C1=CC(=CC(=C1)I)[N+](=O)[O-]", - "inchi": "InChI=1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 56540.62050473805, - 253659.8900911738, - 440.26304575917567, - -127843.38994129641, - 498.3461372766826 - ] - }, - { - "identifier": { - "cas": "646-04-8", - "name": "trans-2-pentene", - "iupac_name": "(e)-pent-2-ene", - "formula": "C5H10", - "smiles": "CCC=CC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+" - }, - "DIPPR107": [ - 54933.369354170034, - 276620.0700645528, - 593.2179571734595, - -164090.55459652716, - 723.2288881911904 - ] - }, - { - "identifier": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "formula": "C3H6O2", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "DIPPR107": [ - 40667.39418983203, - 199852.61824134472, - 595.5541657943194, - -116344.66662767307, - 624.8879445493777 - ] - }, - { - "identifier": { - "cas": "653-37-2", - "name": "pentafluorobenzaldehyde", - "iupac_name": "2,3,4,5,6-pentafluorobenzaldehyde", - "formula": "C7HF5O", - "smiles": "C(=O)C1=C(C(=C(C(=C1F)F)F)F)F", - "inchi": "InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H" - }, - "DIPPR107": [ - 71833.90163062623, - 259525.21921207188, - 424.35024934240016, - -110214.74015084782, - 537.9586142594706 - ] - }, - { - "identifier": { - "cas": "6552-57-4", - "name": "oxirane-d4", - "iupac_name": "2,2,3,3-tetradeuteriooxirane", - "formula": "C2H4O", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D2,2D2" - }, - "DIPPR107": [ - 33659.89344399628, - 123276.85036796302, - 593.8268831959913, - -54787.40862877853, - 651.905009887272 - ] - }, - { - "identifier": { - "cas": "6572-90-3", - "name": "1,3-dioxocane", - "iupac_name": "1,3-dioxocane", - "formula": "C6H12O2", - "smiles": "C1CCOCOCC1", - "inchi": "InChI=1S/C6H12O2/c1-2-4-7-6-8-5-3-1/h1-6H2" - }, - "DIPPR107": [ - 51954.2460973125, - 399525.4130870626, - 490.4560163603583, - -273937.8938958011, - 566.1404482507915 - ] - }, - { - "identifier": { - "cas": "6572-98-1", - "name": "oxocane", - "iupac_name": "oxocane", - "formula": "C7H14O", - "smiles": "C1CCCOCCC1", - "inchi": "InChI=1S/C7H14O/c1-2-4-6-8-7-5-3-1/h1-7H2" - }, - "DIPPR107": [ - 60310.6382743855, - 436698.46316314436, - 508.3349242806091, - -296621.1997734678, - 571.9803323443696 - ] - }, - { - "identifier": { - "cas": "659-85-8", - "name": "tricyclo(3.1.0,02,6)hex-3-ene", - "iupac_name": "tricyclo[3.1.0.02,6]hex-3-ene", - "formula": "C6H6", - "smiles": "C1=CC2C3C1C23", - "inchi": "InChI=1S/C6H6/c1-2-4-5-3(1)6(4)5/h1-6H" - }, - "DIPPR107": [ - 30347.658925335894, - 250338.22531100904, - 643.8606892379394, - -92947.85679502014, - 830.67616589265 - ] - }, - { - "identifier": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "formula": "C6H12O", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "DIPPR107": [ - 68703.88083292519, - 333720.92181942204, - 525.791287240023, - -198407.8353787628, - 631.0820763544589 - ] - }, - { - "identifier": { - "cas": "662-01-1", - "name": "662-01-1", - "iupac_name": "1,3-dichloro-1,1,2,2,3,3-hexafluoropropane", - "formula": "C3Cl2F6", - "smiles": "C(C(F)(F)Cl)(C(F)(F)Cl)(F)F", - "inchi": "InChI=1S/C3Cl2F6/c4-2(8,9)1(6,7)3(5,10)11" - }, - "DIPPR107": [ - 76604.55618503223, - 178711.29127804126, - 383.2060849906512, - -61121.98443213558, - 390.49132010605496 - ] - }, - { - "identifier": { - "cas": "666-16-0", - "name": "fluorocyclobutane", - "iupac_name": "fluorocyclobutane", - "formula": "C4H7F", - "smiles": "C1CC(C1)F", - "inchi": "InChI=1S/C4H7F/c5-4-2-1-3-4/h4H,1-3H2" - }, - "DIPPR107": [ - 41607.67784253223, - 217409.35000808688, - 679.9349171500772, - -82430.11472696225, - 740.016443385556 - ] - }, - { - "identifier": { - "cas": "6669-36-9", - "name": "1,2,3-trioxolane", - "iupac_name": "trioxolane", - "formula": "C2H4O3", - "smiles": "C1COOO1", - "inchi": "InChI=1S/C2H4O3/c1-2-4-5-3-1/h1-2H2" - }, - "DIPPR107": [ - 45818.18615077819, - 152389.71151616922, - 533.0326017934732, - -84532.71254970689, - 580.7048137298648 - ] - }, - { - "identifier": { - "cas": "67-52-7", - "name": "barbituric acid", - "iupac_name": "1,3-diazinane-2,4,6-trione", - "formula": "C4H4N2O3", - "smiles": "C1C(=O)NC(=O)NC1=O", - "inchi": "InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)" - }, - "DIPPR107": [ - 53568.57968365571, - 249106.9705702218, - 580.0268048734307, - -66270.84519437389, - 868.5184248749081 - ] - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "formula": "CH4O", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "DIPPR107": [ - 37123.74593072646, - 83671.18371029226, - 1451.9277256783496, - 32128.68300306811, - 684.0122106037251 - ] - }, - { - "identifier": { - "cas": "67-63-0", - "name": "isopropyl alcohol", - "iupac_name": "propan-2-ol", - "formula": "C3H8O", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "DIPPR107": [ - 37157.449315531696, - 197600.00930731726, - 373.6629524043884, - -171329.7990442832, - 463.376452798381 - ] - }, - { - "identifier": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "formula": "C3H6O", - "smiles": "CC(=O)C", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "DIPPR107": [ - 48956.91802359206, - 167969.80763372403, - 615.3839348038867, - -102896.12531578835, - 726.273409669436 - ] - }, - { - "identifier": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "formula": "CHCl3", - "smiles": "C(Cl)(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 38854.25711949693, - 65596.56927512216, - 386.7951693298823, - -30063.45523998734, - 474.8753417143358 - ] - }, - { - "identifier": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "formula": "C2H6OS", - "smiles": "CS(=O)C", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "DIPPR107": [ - 69114.09872187665, - 152642.1156484955, - 748.2551280150577, - -66830.54149876433, - 905.967378870304 - ] - }, - { - "identifier": { - "cas": "67-71-0", - "name": "dimethyl sulfone", - "iupac_name": "methylsulfonylmethane", - "formula": "C2H6O2S", - "smiles": "CS(=O)(=O)C", - "inchi": "InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3" - }, - "DIPPR107": [ - 72686.65788178233, - 170328.0449644083, - 717.056958649579, - -64709.501382202914, - 872.087456665665 - ] - }, - { - "identifier": { - "cas": "67-72-1", - "name": "hexachloroethane", - "iupac_name": "1,1,1,2,2,2-hexachloroethane", - "formula": "C2Cl6", - "smiles": "C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8" - }, - "DIPPR107": [ - 60786.617489562035, - 123347.87410019913, - 255.00543243450505, - -50457.21813362434, - 310.915227526231 - ] - }, - { - "identifier": { - "cas": "674-76-0", - "name": "trans-4-methyl-2-pentene", - "iupac_name": "(e)-4-methylpent-2-ene", - "formula": "C6H12", - "smiles": "CC=CC(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4+" - }, - "DIPPR107": [ - 63796.373435514215, - 319230.85069733043, - 536.1835077045301, - -186336.89490417772, - 663.025913915941 - ] - }, - { - "identifier": { - "cas": "674-82-8", - "name": "diketene", - "iupac_name": "4-methylideneoxetan-2-one", - "formula": "C4H4O2", - "smiles": "C=C1CC(=O)O1", - "inchi": "InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2" - }, - "DIPPR107": [ - 45669.0842021179, - 167965.1290050796, - 485.3098999012013, - -101014.69624367946, - 516.1338095867811 - ] - }, - { - "identifier": { - "cas": "6742-54-7", - "name": "undecylbenzene", - "iupac_name": "undecylbenzene", - "formula": "C17H28", - "smiles": "CCCCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3" - }, - "DIPPR107": [ - 110696.76266032523, - 902583.4729330315, - 528.9992198027531, - -509592.10004653555, - 673.0296272954997 - ] - }, - { - "identifier": { - "cas": "6765-39-5", - "name": "1-heptadecene", - "iupac_name": "heptadec-1-ene", - "formula": "C17H34", - "smiles": "CCCCCCCCCCCCCCCC=C", - "inchi": "InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3" - }, - "DIPPR107": [ - 149343.64829800455, - 989319.3070070011, - 531.1347542807583, - -583006.0032024069, - 682.0668701337189 - ] - }, - { - "identifier": { - "cas": "6788-84-7", - "name": "1,2-dioxetane", - "iupac_name": "dioxetane", - "formula": "C2H4O2", - "smiles": "C1COO1", - "inchi": "InChI=1S/C2H4O2/c1-2-4-3-1/h1-2H2" - }, - "DIPPR107": [ - 34716.71789786076, - 139193.9671025572, - 590.169357313974, - -78871.13167319748, - 617.4263957155009 - ] - }, - { - "identifier": { - "cas": "679-86-7", - "name": "1,1,2,2,3-pentafluoropropane", - "iupac_name": "1,1,2,2,3-pentafluoropropane", - "formula": "C3H3F5", - "smiles": "C(C(C(F)F)(F)F)F", - "inchi": "InChI=1S/C3H3F5/c4-1-3(7,8)2(5)6/h2H,1H2" - }, - "DIPPR107": [ - 55441.883203443416, - 185762.03210841658, - 413.15284043742935, - -94287.62221775572, - 456.5242291222733 - ] - }, - { - "identifier": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "formula": "C4H12O4Si", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "DIPPR107": [ - 111926.73503836611, - 336942.2235454941, - 534.9779083117629, - -239291.10492749655, - 636.9959729445741 - ] - }, - { - "identifier": { - "cas": "683-73-8", - "name": "(2h4)ethylene", - "iupac_name": "1,1,2,2-tetradeuterioethene", - "formula": "C2H4", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2/i1D2,2D2" - }, - "DIPPR107": [ - 33454.16377935303, - 99045.84054521329, - 1316.4829235196137, - 58891.550846082064, - 579.0477464409372 - ] - }, - { - "identifier": { - "cas": "6876-23-9", - "name": "trans-1,2-dimethylcyclohexane", - "iupac_name": "trans-(1r,2r)-1,2-dimethylcyclohexane", - "formula": "C8H16", - "smiles": "CC1CCCCC1C", - "inchi": "InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1" - }, - "DIPPR107": [ - 66178.32137925843, - 490602.199878084, - 586.7630038535242, - -266512.6439525199, - 656.3289171000876 - ] - }, - { - "identifier": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "formula": "C4H4", - "smiles": "C=CC#C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "DIPPR107": [ - 40417.629815003485, - 136162.49594438565, - 582.400338736618, - -67797.27233216586, - 755.1237224574137 - ] - }, - { - "identifier": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "formula": "C3H2F6", - "smiles": "C(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "DIPPR107": [ - 63716.830309226476, - 184458.74686694538, - 467.758136310473, - -75574.40833030698, - 538.089800409401 - ] - }, - { - "identifier": { - "cas": "6909-54-2", - "name": "dideuterim peroxide", - "iupac_name": "hydrogen peroxide", - "formula": "H2O2", - "smiles": "OO", - "inchi": "InChI=1S/H2O2/c1-2/h1-2H/i/hD2" - }, - "DIPPR107": [ - 35118.92746032046, - 41159.92722883335, - 1088.923665301006, - 23935.314481242152, - 449.3569422872804 - ] - }, - { - "identifier": { - "cas": "691-37-2", - "name": "4-methyl-1-pentene", - "iupac_name": "4-methylpent-1-ene", - "formula": "C6H12", - "smiles": "CC(C)CC=C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" - }, - "DIPPR107": [ - 60694.937010245565, - 325851.899475156, - 572.7877978669499, - -165612.91954100493, - 694.8149407043818 - ] - }, - { - "identifier": { - "cas": "691-38-3", - "name": "cis-4-methyl-2-pentene", - "iupac_name": "(z)-4-methylpent-2-ene", - "formula": "C6H12", - "smiles": "CC=CC(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4-" - }, - "DIPPR107": [ - 63796.373435514215, - 324948.52096956724, - 572.5627869270694, - -182306.92010900466, - 686.8369237123324 - ] - }, - { - "identifier": { - "cas": "69166-07-0", - "name": "3-deuterio-cyclopropene", - "iupac_name": "cyclopropene-3-d", - "formula": "C3H4", - "smiles": "C1=CC1", - "inchi": "InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2/i3D" - }, - "DIPPR107": [ - 33538.79486906067, - 118402.86326978831, - 637.9248382994857, - -50486.629404162326, - 731.2806717686036 - ] - }, - { - "identifier": { - "cas": "69166-08-1", - "name": "cyclopropene-1,3,3-d3", - "iupac_name": "cyclopropene-1,3,3-d3", - "formula": "C3H4", - "smiles": "C1=CC1", - "inchi": "InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2/i1D,3D2" - }, - "DIPPR107": [ - 33718.76583987138, - 119916.93547847566, - 571.2390825969818, - -53321.04200320819, - 658.374008155288 - ] - }, - { - "identifier": { - "cas": "6928-19-4", - "name": "trans-dibromodideuteroethene", - "iupac_name": "1,2-dibromo-,(e)-ethene-1,2-d2", - "formula": "C2H2Br2", - "smiles": "BrC=CBr", - "inchi": "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1+/i1D,2D" - }, - "DIPPR107": [ - 45750.44832289184, - 82461.41526770017, - 420.2759338535008, - -38417.450712348866, - 510.9124778571404 - ] - }, - { - "identifier": { - "cas": "693-89-0", - "name": "1-methylcyclopentene", - "iupac_name": "1-methylcyclopentene", - "formula": "C6H10", - "smiles": "CC1=CCCC1", - "inchi": "InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3" - }, - "DIPPR107": [ - 51061.70197281946, - 310539.7483127456, - 647.2324085726008, - -159182.89196524268, - 726.4265915247529 - ] - }, - { - "identifier": { - "cas": "700-12-9", - "name": "pentamethylbenzene", - "iupac_name": "1,2,3,4,5-pentamethylbenzene", - "formula": "C11H16", - "smiles": "CC1=CC(=C(C(=C1C)C)C)C", - "inchi": "InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3" - }, - "DIPPR107": [ - 64073.99443371774, - 517287.1430903156, - 403.28792130796046, - -399095.22305020574, - 521.2934175670058 - ] - }, - { - "identifier": { - "cas": "7086-02-4", - "name": "tritium cyanide", - "iupac_name": "hydrocyanic acid-t", - "formula": "CHN", - "smiles": "N#C", - "inchi": "InChI=1S/CHN/c1-2/h1H/i1T" - }, - "DIPPR107": [ - 29233.80667517573, - 35325.95389271456, - 1279.950128356972, - 24817.013305768043, - 456.05907517765695 - ] - }, - { - "identifier": { - "cas": "7092-01-5", - "name": "1,2-dithiete", - "iupac_name": "dithiete", - "formula": "C2H2S2", - "smiles": "C1=CSS1", - "inchi": "InChI=1S/C2H2S2/c1-2-4-3-1/h1-2H" - }, - "DIPPR107": [ - 34176.79544656919, - 93261.47081499812, - 492.7339088321274, - -38980.96604883053, - 589.1079320417379 - ] - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "formula": "C3H8O", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "DIPPR107": [ - 44725.176409330496, - 193171.9097377692, - 400.9414108019808, - -178668.178203796, - 485.82383749086927 - ] - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "formula": "C4H10O", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "DIPPR107": [ - 60530.523193190886, - 253637.7490007782, - 571.4649015896842, - -145482.69689764138, - 654.3825662795406 - ] - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "formula": "C5H12O", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "DIPPR107": [ - 61667.26572534465, - 301414.27743577043, - 498.8074134626974, - -188828.00863358553, - 581.1041469547729 - ] - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "formula": "C6H6", - "smiles": "C1=CC=CC=C1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "DIPPR107": [ - 35542.50545347847, - 238853.9606625753, - 599.8573666932945, - -115569.48346476455, - 684.8357085856392 - ] - }, - { - "identifier": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane", - "iupac_name": "1,1,1-trichloroethane", - "formula": "C2H3Cl3", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "DIPPR107": [ - 44359.380656412126, - 124079.06507785746, - 371.1598005170672, - -71524.03277304169, - 484.82437845477455 - ] - }, - { - "identifier": { - "cas": "7125-84-0", - "name": "1,1,1-trichloro-3,3,3-trifluoropropane", - "iupac_name": "1,1,1-trichloro-3,3,3-trifluoropropane", - "formula": "C3H2Cl3F3", - "smiles": "C(C(F)(F)F)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C3H2Cl3F3/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "DIPPR107": [ - 69991.3570884805, - 180951.4816982531, - 432.2444889140775, - -67546.13787276194, - 533.6976107252106 - ] - }, - { - "identifier": { - "cas": "7299-37-8", - "name": "propyne", - "iupac_name": "prop-1-yne", - "formula": "C3H4", - "smiles": "CC#C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "DIPPR107": [ - 37288.00249155119, - 107466.6363266892, - 502.4980233097732, - -70412.21332513918, - 617.8855567430911 - ] - }, - { - "identifier": { - "cas": "7372-86-3", - "name": "2-ethyl-6-methylnaphthalene", - "iupac_name": "2-ethyl-6-methylnaphthalene", - "formula": "C13H14", - "smiles": "CCC1=CC2=C(C=C1)C=C(C=C2)C", - "inchi": "InChI=1S/C13H14/c1-3-11-5-7-12-8-10(2)4-6-13(12)9-11/h4-9H,3H2,1-2H3" - }, - "DIPPR107": [ - 49544.42352527416, - 572042.9777041419, - 515.5802423278587, - -299577.61556504254, - 663.3224632900148 - ] - }, - { - "identifier": { - "cas": "73936-93-3", - "name": "chlorodibromomethane", - "iupac_name": "dibromochloro-methane-d", - "formula": "CHBr2Cl", - "smiles": "ClC(Br)Br", - "inchi": "InChI=1S/CHBr2Cl/c2-1(3)4/h1H/i1D" - }, - "DIPPR107": [ - 43910.84539827614, - 61696.70808312257, - 374.27956550579097, - -21596.02223207004, - 443.0496363803504 - ] - }, - { - "identifier": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "formula": "CH4", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "DIPPR107": [ - 33343.631593222184, - 83242.88854228833, - 2200.394817535848, - 44439.92695274386, - 1009.466893028704 - ] - }, - { - "identifier": { - "cas": "74-83-9", - "name": "bromomethane", - "iupac_name": "bromomethane", - "formula": "CH3Br", - "smiles": "CBr", - "inchi": "InChI=1S/CH3Br/c1-2/h1H3" - }, - "DIPPR107": [ - 33738.45940268277, - 70175.2014552509, - 705.0004274631061, - -37986.8834647258, - 795.7222396746462 - ] - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "formula": "C2H6", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "DIPPR107": [ - 35984.164323956014, - 135832.91438000437, - 1350.3728327648275, - 51305.59525153137, - 571.4613154045304 - ] - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "formula": "C2H4", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "DIPPR107": [ - 33691.12655984057, - 93542.23345084226, - 1574.207672906465, - 53341.93897138291, - 739.1884622600555 - ] - }, - { - "identifier": { - "cas": "74-86-2", - "name": "acetylene", - "iupac_name": "acetylene", - "formula": "C2H2", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "DIPPR107": [ - 29552.222794231806, - 60715.29723320612, - 1739.727592231602, - 51299.97570108831, - 602.8684050901836 - ] - }, - { - "identifier": { - "cas": "74-87-3", - "name": "chloromethane", - "iupac_name": "chloromethane", - "formula": "CH3Cl", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "DIPPR107": [ - 33453.53554603406, - 71345.9671315599, - 763.7337064997838, - -35541.31523141458, - 844.7576396433585 - ] - }, - { - "identifier": { - "cas": "74-88-4", - "name": "iodomethane", - "iupac_name": "iodomethane", - "formula": "CH3I", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "DIPPR107": [ - 34017.78535530701, - 68475.82350736283, - 651.2606804106154, - -39342.537939235764, - 741.0604912801851 - ] - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "formula": "CH5N", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "DIPPR107": [ - 35051.55235280811, - 102859.49974202964, - 1184.8716543597286, - 34571.82611003135, - 459.5280127082905 - ] - }, - { - "identifier": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "formula": "CHN", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "DIPPR107": [ - 29238.046847374757, - 34890.97080038047, - 1653.0519907525158, - 24237.80044949039, - 606.6035543826418 - ] - }, - { - "identifier": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "formula": "CH4S", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "DIPPR107": [ - 35532.41660025504, - 88368.3695551451, - 619.1587741417824, - -56767.83261217447, - 739.3859329980506 - ] - }, - { - "identifier": { - "cas": "74-95-3", - "name": "dibromomethane", - "iupac_name": "dibromomethane", - "formula": "CH2Br2", - "smiles": "C(Br)Br", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "DIPPR107": [ - 38545.19578502597, - 64113.181009763764, - 514.0969617066893, - -33620.04394689958, - 607.7395297988045 - ] - }, - { - "identifier": { - "cas": "74-96-4", - "name": "bromoethane", - "iupac_name": "bromoethane", - "formula": "C2H5Br", - "smiles": "CCBr", - "inchi": "InChI=1S/C2H5Br/c1-2-3/h2H2,1H3" - }, - "DIPPR107": [ - 39881.6701290279, - 121735.10507828077, - 487.8460266885023, - -88565.29405893001, - 545.0705426557752 - ] - }, - { - "identifier": { - "cas": "74-97-5", - "name": "bromochloromethane", - "iupac_name": "bromo(chloro)methane", - "formula": "CH2BrCl", - "smiles": "C(Cl)Br", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "DIPPR107": [ - 35598.51247455996, - 65291.213169205475, - 430.5729164003328, - -45681.36118940983, - 496.1624057710533 - ] - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "formula": "C3H8", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "DIPPR107": [ - 36548.99915764293, - 182424.66853346955, - 441.5114113564459, - -154326.27431504973, - 509.51487146240805 - ] - }, - { - "identifier": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "formula": "C3H4", - "smiles": "CC#C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "DIPPR107": [ - 36855.41962103829, - 112552.9903967465, - 568.865725652005, - -68988.43657555418, - 699.0541591722223 - ] - }, - { - "identifier": { - "cas": "7426-92-8", - "name": "(~2~h_10_)cyclopentane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5-decadeuteriocyclopentane", - "formula": "C5H10", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2/i1D2,2D2,3D2,4D2,5D2" - }, - "DIPPR107": [ - 40133.034519821216, - 316369.69394942425, - 560.6534647327194, - -133021.0840076283, - 667.2147545305114 - ] - }, - { - "identifier": { - "cas": "7440-23-5", - "name": "sodium", - "iupac_name": "sodium", - "formula": "Na", - "smiles": "[Na]", - "inchi": "InChI=1S/Na" - }, - "DIPPR107": [ - 20789.942986957274, - 8846.802134459838, - 5051.391671550957, - -9095.923563787952, - 5074.555848607592 - ] - }, - { - "identifier": { - "cas": "7440-41-7", - "name": "beryllium", - "iupac_name": "beryllium", - "formula": "Be", - "smiles": "[Be]", - "inchi": "InChI=1S/Be" - }, - "DIPPR107": [ - 20771.840509988386, - 22.2193366444317, - 1070.268084986579, - 42.110209314557935, - 441.18668467853183 - ] - }, - { - "identifier": { - "cas": "7446-08-4", - "name": "selenium dioxide", - "iupac_name": "selenium dioxide", - "formula": "O2Se", - "smiles": "O=[Se]=O", - "inchi": "InChI=1S/O2Se/c1-3-2" - }, - "DIPPR107": [ - 33345.67778317019, - 24831.31916967409, - 677.9945083275087, - 9261.530427069014, - 303.9344203116989 - ] - }, - { - "identifier": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "formula": "O2S", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "DIPPR107": [ - 33841.99725687755, - 25771.799985969534, - 1131.4737228264253, - 15603.475628179676, - 529.2243150788371 - ] - }, - { - "identifier": { - "cas": "7446-70-0", - "name": "aluminium chloride", - "iupac_name": "trichloroalumane", - "formula": "AlCl3", - "smiles": "[Al](Cl)(Cl)Cl", - "inchi": "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3" - }, - "DIPPR107": [ - 8989.00669709057, - 74157.97857954203, - 338.79333556158736, - 87103.66430050411, - 129.82989611854333 - ] - }, - { - "identifier": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "formula": "C2H5Cl", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "DIPPR107": [ - 38864.606321228275, - 123202.59588702086, - 510.9801569140955, - -85370.11090109547, - 564.1937624354958 - ] - }, - { - "identifier": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "formula": "C2H3Cl", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "DIPPR107": [ - 33165.41194824027, - 93250.42311602482, - 579.5822633855281, - -46694.20405623771, - 689.4501139051368 - ] - }, - { - "identifier": { - "cas": "75-02-5", - "name": "vinyl fluoride", - "iupac_name": "fluoroethene", - "formula": "C2H3F", - "smiles": "C=CF", - "inchi": "InChI=1S/C2H3F/c1-2-3/h2H,1H2" - }, - "DIPPR107": [ - 31790.69237178991, - 89615.67585203548, - 435.3383204400726, - -74476.36386218814, - 498.3672905328883 - ] - }, - { - "identifier": { - "cas": "75-03-6", - "name": "iodoethane", - "iupac_name": "iodoethane", - "formula": "C2H5I", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "DIPPR107": [ - 40115.23440757333, - 121101.00790657551, - 474.1766953089476, - -90277.88891440375, - 535.943667171169 - ] - }, - { - "identifier": { - "cas": "75-04-7", - "name": "ethanamine", - "iupac_name": "ethanamine", - "formula": "C2H7N", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "DIPPR107": [ - 42000.83473978596, - 156994.99758457323, - 469.4108564822056, - -130321.29715209338, - 547.0154072307897 - ] - }, - { - "identifier": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "formula": "C2H3N", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "DIPPR107": [ - 36371.97885067866, - 93403.19635050131, - 609.6757979406785, - -60856.5235316144, - 724.7526941151831 - ] - }, - { - "identifier": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "formula": "C2H4O", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "DIPPR107": [ - 38376.32297489539, - 106266.3523861484, - 533.4392102206721, - -78673.57086026775, - 615.913270474593 - ] - }, - { - "identifier": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "formula": "C2H6S", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "DIPPR107": [ - 43658.39288101364, - 139217.27285762242, - 555.3235256817709, - -81548.87367419539, - 644.1780379038242 - ] - }, - { - "identifier": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "formula": "CH2Cl2", - "smiles": "C(Cl)Cl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "DIPPR107": [ - 36007.82853188458, - 66857.20206368541, - 546.2691021628684, - -33498.43033598239, - 634.6236601359135 - ] - }, - { - "identifier": { - "cas": "75-10-5", - "name": "difluoromethane", - "iupac_name": "difluoromethane", - "formula": "CH2F2", - "smiles": "C(F)F", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "DIPPR107": [ - 33666.75437272501, - 69494.68173676585, - 598.140560165812, - -43346.634692711705, - 612.1553904954784 - ] - }, - { - "identifier": { - "cas": "75-11-6", - "name": "diiodomethane", - "iupac_name": "diiodomethane", - "formula": "CH2I2", - "smiles": "C(I)I", - "inchi": "InChI=1S/CH2I2/c2-1-3/h1H2" - }, - "DIPPR107": [ - 40215.490963628814, - 61130.36545384506, - 480.149866483287, - -31113.8116969306, - 565.4533260857082 - ] - }, - { - "identifier": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "formula": "CH3NO", - "smiles": "C(=O)N", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "DIPPR107": [ - 31659.065427502206, - 93204.27234705402, - 655.440597484863, - -48770.56105454422, - 716.6531729940452 - ] - }, - { - "identifier": { - "cas": "75-13-8", - "name": "isocyanic acid", - "iupac_name": "isocyanic acid", - "formula": "CHNO", - "smiles": "C(=N)=O", - "inchi": "InChI=1S/CHNO/c2-1-3/h2H" - }, - "DIPPR107": [ - 30666.27156790762, - 49729.257437909626, - 544.0236749362227, - -24257.92173023206, - 748.0318169998809 - ] - }, - { - "identifier": { - "cas": "75-15-0", - "name": "carbon disulfide", - "iupac_name": "methanedithione", - "formula": "CS2", - "smiles": "C(=S)=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "DIPPR107": [ - 30433.74901707684, - 32637.650407772457, - 929.8239150337188, - 29123.034688150252, - 396.5613097196249 - ] - }, - { - "identifier": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "formula": "C2H6S", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "DIPPR107": [ - 38103.52010362853, - 145235.82707903837, - 457.7799091519015, - -114525.36337143996, - 583.6235523486259 - ] - }, - { - "identifier": { - "cas": "75-19-4", - "name": "cyclopropane", - "iupac_name": "cyclopropane", - "formula": "C3H6", - "smiles": "C1CC1", - "inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2" - }, - "DIPPR107": [ - 33741.19382278729, - 170995.2786031662, - 745.0614021643397, - -73252.76432360853, - 872.7703282822929 - ] - }, - { - "identifier": { - "cas": "75-21-8", - "name": "oxirane", - "iupac_name": "oxirane", - "formula": "C2H4O", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "DIPPR107": [ - 33052.00849376105, - 123110.71152161337, - 766.9376293026754, - -50026.520317274044, - 886.1717825368104 - ] - }, - { - "identifier": { - "cas": "75-25-2", - "name": "bromoform", - "iupac_name": "bromoform", - "formula": "CHBr3", - "smiles": "C(Br)(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 47019.93405731779, - 57369.75612443942, - 372.246066977318, - -27234.271741399905, - 461.4554469502515 - ] - }, - { - "identifier": { - "cas": "75-26-3", - "name": "2-bromopropane", - "iupac_name": "2-bromopropane", - "formula": "C3H7Br", - "smiles": "CC(C)Br", - "inchi": "InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3" - }, - "DIPPR107": [ - 48387.37523422214, - 175124.0997587691, - 437.9655152547533, - -133632.0979677082, - 510.3994924797991 - ] - }, - { - "identifier": { - "cas": "75-27-4", - "name": "bromodichloromethane", - "iupac_name": "bromo(dichloro)methane", - "formula": "CHBrCl2", - "smiles": "C(Cl)(Cl)Br", - "inchi": "InChI=1S/CHBrCl2/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 34721.15198767827, - 67835.15632094063, - 263.97836397243657, - -46713.52090392359, - 342.8593356164948 - ] - }, - { - "identifier": { - "cas": "75-28-5", - "name": "isobutane", - "iupac_name": "2-methylpropane", - "formula": "C4H10", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "DIPPR107": [ - 36825.76762445353, - 244783.47733995572, - 379.3492924616735, - -223260.44383626495, - 469.5663020959578 - ] - }, - { - "identifier": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "formula": "C3H7Cl", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "DIPPR107": [ - 46054.117085735874, - 177797.89346981028, - 443.2580436452945, - -135338.9201129982, - 510.0206086398335 - ] - }, - { - "identifier": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "formula": "C3H9N", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "DIPPR107": [ - 40168.90567817307, - 211924.37912309344, - 351.7975773142404, - -197925.55070948292, - 438.6037104545744 - ] - }, - { - "identifier": { - "cas": "75-33-2", - "name": "2-propanethiol", - "iupac_name": "propane-2-thiol", - "formula": "C3H8S", - "smiles": "CC(C)S", - "inchi": "InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3" - }, - "DIPPR107": [ - 52521.39696235781, - 194007.01439699274, - 533.6733781350051, - -111778.18130297525, - 615.0557226569762 - ] - }, - { - "identifier": { - "cas": "75-34-3", - "name": "1,1-dichloroethane", - "iupac_name": "1,1-dichloroethane", - "formula": "C2H4Cl2", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "DIPPR107": [ - 40798.01445560369, - 125781.35759973651, - 418.4394517992418, - -89886.66027984551, - 512.0454919074705 - ] - }, - { - "identifier": { - "cas": "75-35-4", - "name": "vinylidene chloride", - "iupac_name": "1,1-dichloroethene", - "formula": "C2H2Cl2", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "DIPPR107": [ - 39731.799079526565, - 90155.56436336967, - 537.7849187262829, - -35403.45880739457, - 724.8477080344886 - ] - }, - { - "identifier": { - "cas": "75-36-5", - "name": "acetyl chloride", - "iupac_name": "acetyl chloride", - "formula": "C2H3ClO", - "smiles": "CC(=O)Cl", - "inchi": "InChI=1S/C2H3ClO/c1-2(3)4/h1H3" - }, - "DIPPR107": [ - 40370.38504819804, - 108189.41392160219, - 530.0786194837198, - -63445.96141990745, - 673.9381949408721 - ] - }, - { - "identifier": { - "cas": "75-37-6", - "name": "1,1-difluoroethane", - "iupac_name": "1,1-difluoroethane", - "formula": "C2H4F2", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "DIPPR107": [ - 38111.46083230541, - 127556.9478206035, - 471.6861002157763, - -87254.27761854645, - 539.8822068796559 - ] - }, - { - "identifier": { - "cas": "75-43-4", - "name": "dichlorofluoromethane", - "iupac_name": "dichloro(fluoro)methane", - "formula": "CHCl2F", - "smiles": "C(F)(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 34091.74144963833, - 69132.9434411088, - 335.1952480107492, - -45617.9720814531, - 399.3346690663592 - ] - }, - { - "identifier": { - "cas": "75-44-5", - "name": "phosgene", - "iupac_name": "carbonyl dichloride", - "formula": "CCl2O", - "smiles": "C(=O)(Cl)Cl", - "inchi": "InChI=1S/CCl2O/c2-1(3)4" - }, - "DIPPR107": [ - 33774.97286510961, - 48445.49195568393, - 321.12858484895054, - -20159.603635603486, - 352.8636870128216 - ] - }, - { - "identifier": { - "cas": "75-45-6", - "name": "chlorodifluoromethane", - "iupac_name": "chloro(difluoro)methane", - "formula": "CHClF2", - "smiles": "C(F)(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 33740.37913425317, - 69250.0090807028, - 385.8101171253314, - -43627.392395117495, - 432.1418253166998 - ] - }, - { - "identifier": { - "cas": "75-46-7", - "name": "trifluoromethane", - "iupac_name": "fluoroform", - "formula": "CHF3", - "smiles": "C(F)(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 33849.03640309415, - 70539.77680578791, - 504.2823293464447, - -33767.50684714828, - 538.048248440182 - ] - }, - { - "identifier": { - "cas": "75-47-8", - "name": "iodoform", - "iupac_name": "iodoform", - "formula": "CHI3", - "smiles": "C(I)(I)I", - "inchi": "InChI=1S/CHI3/c2-1(3)4/h1H" - }, - "DIPPR107": [ - 51991.31318477681, - 52692.33028329095, - 374.8298551323088, - -22838.696678047738, - 481.53559756840303 - ] - }, - { - "identifier": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "formula": "C3H9N", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "DIPPR107": [ - 51867.91520972775, - 220761.51288276992, - 597.192480626436, - -119025.22579347325, - 652.593402904968 - ] - }, - { - "identifier": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "formula": "CH3NO2", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "DIPPR107": [ - 102691.95462641228, - 49228.11195443235, - 1577.566122916097, - -119123.60056447577, - 257.7266651202787 - ] - }, - { - "identifier": { - "cas": "75-54-7", - "name": "methyl-dichlorsilan", - "iupac_name": "dichloro(methyl)silane", - "formula": "CH4Cl2Si", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "DIPPR107": [ - 48644.22769998944, - 123052.36666103888, - 488.44951470429135, - -57145.44028125036, - 679.4286721065386 - ] - }, - { - "identifier": { - "cas": "75-56-9", - "name": "propylene oxide", - "iupac_name": "2-methyloxirane", - "formula": "C3H6O", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "DIPPR107": [ - 41222.05726348053, - 179970.7591621233, - 590.7454557816043, - -110004.46425409429, - 675.869214891233 - ] - }, - { - "identifier": { - "cas": "75-61-6", - "name": "dibromodifluoromethane", - "iupac_name": "dibromo(difluoro)methane", - "formula": "CBr2F2", - "smiles": "C(F)(F)(Br)Br", - "inchi": "InChI=1S/CBr2F2/c2-1(3,4)5" - }, - "DIPPR107": [ - 34801.88369101756, - 72718.32094884102, - 242.3577091232439, - -38775.887663796, - 307.903835291219 - ] - }, - { - "identifier": { - "cas": "75-62-7", - "name": "bromotrichloromethane", - "iupac_name": "bromo(trichloro)methane", - "formula": "CBrCl3", - "smiles": "C(Cl)(Cl)(Cl)Br", - "inchi": "InChI=1S/CBrCl3/c2-1(3,4)5" - }, - "DIPPR107": [ - 34398.13881664103, - 73703.9462972351, - 199.05323364575423, - -35224.44325518168, - 247.12713380370232 - ] - }, - { - "identifier": { - "cas": "75-63-8", - "name": "bromotrifluoromethane", - "iupac_name": "bromo(trifluoro)methane", - "formula": "CBrF3", - "smiles": "C(F)(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "DIPPR107": [ - 33589.16805199882, - 73775.16317135347, - 290.36865082266627, - -42900.54204396636, - 341.8307066627042 - ] - }, - { - "identifier": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "formula": "C4H11N", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "DIPPR107": [ - 36864.04943827783, - 276453.30034009786, - 340.2796528053507, - -243252.22809111892, - 431.532065313066 - ] - }, - { - "identifier": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "formula": "C4H10O", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "DIPPR107": [ - 50412.76293621975, - 250901.0614783085, - 425.173554342841, - -189211.74589828379, - 504.8392260771981 - ] - }, - { - "identifier": { - "cas": "75-66-1", - "name": "2-methyl-2-propanethiol", - "iupac_name": "2-methylpropane-2-thiol", - "formula": "C4H10S", - "smiles": "CC(C)(C)S", - "inchi": "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" - }, - "DIPPR107": [ - 62451.38565639118, - 238113.7046571083, - 452.9800303774382, - -163853.68270839629, - 515.6278631187214 - ] - }, - { - "identifier": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane", - "iupac_name": "1-chloro-1,1-difluoroethane", - "formula": "C2H3ClF2", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "DIPPR107": [ - 47056.80981950225, - 122565.42907579168, - 454.2432388672372, - -69358.93737932043, - 527.7881667198805 - ] - }, - { - "identifier": { - "cas": "75-69-4", - "name": "trichlorofluoromethane", - "iupac_name": "trichloro(fluoro)methane", - "formula": "CCl3F", - "smiles": "C(F)(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "DIPPR107": [ - 33832.931276930874, - 74062.30740146353, - 249.1369420286163, - -35389.06330629729, - 290.7884992813898 - ] - }, - { - "identifier": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane", - "iupac_name": "dichloro(difluoro)methane", - "formula": "CCl2F2", - "smiles": "C(F)(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "DIPPR107": [ - 33682.31491178293, - 75307.17501192173, - 284.4098991457633, - -42884.892294709185, - 330.2979230897175 - ] - }, - { - "identifier": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane", - "iupac_name": "chloro(trifluoro)methane", - "formula": "CClF3", - "smiles": "C(F)(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "DIPPR107": [ - 33571.60022987952, - 74165.33564177656, - 329.1487968668223, - -38336.02910493723, - 361.9270210297739 - ] - }, - { - "identifier": { - "cas": "75-73-0", - "name": "carbon tetrafluoride", - "iupac_name": "tetrafluoromethane", - "formula": "CF4", - "smiles": "C(F)(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "DIPPR107": [ - 33645.634097689275, - 74321.32954775513, - 395.7885597081333, - -35754.978869765844, - 416.9264070227184 - ] - }, - { - "identifier": { - "cas": "75-76-3", - "name": "tetramethylsilane", - "iupac_name": "tetramethylsilane", - "formula": "C4H12Si", - "smiles": "C[Si](C)(C)C", - "inchi": "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" - }, - "DIPPR107": [ - 80290.4746377485, - 285652.1751879814, - 524.6427134324002, - -200665.47257907133, - 642.0750635987413 - ] - }, - { - "identifier": { - "cas": "75-77-4", - "name": "chlorotrimethylsilane", - "iupac_name": "chloro(trimethyl)silane", - "formula": "C3H9ClSi", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "DIPPR107": [ - 72785.87071118022, - 226264.64523678244, - 525.4569737265847, - -134799.80976078202, - 662.9486462653352 - ] - }, - { - "identifier": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "formula": "C2H6Cl2Si", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "DIPPR107": [ - 67492.84940059412, - 166626.90486808744, - 459.5954096414403, - -112791.93951162834, - 582.6790442320396 - ] - }, - { - "identifier": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "formula": "CH3Cl3Si", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "DIPPR107": [ - 61580.394860498374, - 108208.51103505894, - 408.4614781860034, - -59667.735941988205, - 553.3675320455151 - ] - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "formula": "C6H14", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "DIPPR107": [ - 67062.71551031376, - 342180.72179719346, - 489.1533721426098, - -225845.4160656906, - 548.2929114196073 - ] - }, - { - "identifier": { - "cas": "75-87-6", - "name": "chloral", - "iupac_name": "2,2,2-trichloroacetaldehyde", - "formula": "C2HCl3O", - "smiles": "C(=O)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" - }, - "DIPPR107": [ - 53933.83981377562, - 99084.18834638814, - 352.0955053484267, - -49083.706497379695, - 448.6139886125544 - ] - }, - { - "identifier": { - "cas": "75-88-7", - "name": "2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-chloro-1,1,1-trifluoroethane", - "formula": "C2H2ClF3", - "smiles": "C(C(F)(F)F)Cl", - "inchi": "InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2" - }, - "DIPPR107": [ - 49515.7199625581, - 122300.56472646153, - 401.4202403425136, - -71749.89505847555, - 439.679815714406 - ] - }, - { - "identifier": { - "cas": "75-90-1", - "name": "trifluoroacetaldehyde", - "iupac_name": "2,2,2-trifluoroacetaldehyde", - "formula": "C2HF3O", - "smiles": "C(=O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O/c3-2(4,5)1-6/h1H" - }, - "DIPPR107": [ - 45338.63260477267, - 107877.23057744474, - 406.9532673524212, - -60766.460656310875, - 471.0229402173613 - ] - }, - { - "identifier": { - "cas": "75-97-8", - "name": "pinacolone", - "iupac_name": "3,3-dimethylbutan-2-one", - "formula": "C6H12O", - "smiles": "CC(=O)C(C)(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3" - }, - "DIPPR107": [ - 70241.98755412009, - 323398.5414849404, - 454.0695883956212, - -226654.92617668564, - 530.9254888652921 - ] - }, - { - "identifier": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoropropene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "formula": "C3H2F4", - "smiles": "C=C(C(F)(F)F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "DIPPR107": [ - 51218.47673827811, - 148586.55607884747, - 413.07167298403743, - -77512.42318736017, - 465.51873741218657 - ] - }, - { - "identifier": { - "cas": "7550-45-0", - "name": "tetrachlorotitanium", - "iupac_name": "titanium chloride", - "formula": "Cl4Ti", - "smiles": "Cl[Ti](Cl)(Cl)Cl", - "inchi": "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4" - }, - "DIPPR107": [ - 45998.19029230981, - 56244.3352056278, - 191.3609078508221, - 13350.447002924828, - 1177.065552384716 - ] - }, - { - "identifier": { - "cas": "7553-56-2", - "name": "iodine", - "iupac_name": "molecular iodine", - "formula": "I2", - "smiles": "II", - "inchi": "InChI=1S/I2/c1-2" - }, - "DIPPR107": [ - 37981.68990871514, - 1739.1472659925498, - 3772.593416990084, - -3914.827898454334, - 196.25702395580552 - ] - }, - { - "identifier": { - "cas": "758-24-7", - "name": "758-24-7", - "iupac_name": "1-bromo-1-chloro-2,2-difluoroethene", - "formula": "C2BrClF2", - "smiles": "C(=C(Cl)Br)(F)F", - "inchi": "InChI=1S/C2BrClF2/c3-1(4)2(5)6" - }, - "DIPPR107": [ - 50939.29320906482, - 81585.77832474328, - 379.4302053892131, - -29272.763638209864, - 477.16726545892527 - ] - }, - { - "identifier": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "formula": "C2HCl5", - "smiles": "C(C(Cl)(Cl)Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "DIPPR107": [ - 57850.274127769335, - 122933.82875237706, - 319.2640175188389, - -58377.26254588893, - 405.7589605423444 - ] - }, - { - "identifier": { - "cas": "76-11-9", - "name": "1,1-difluorotetrachloroethane", - "iupac_name": "1,1,1,2-tetrachloro-2,2-difluoroethane", - "formula": "C2Cl4F2", - "smiles": "C(C(Cl)(Cl)Cl)(F)(F)Cl", - "inchi": "InChI=1S/C2Cl4F2/c3-1(4,5)2(6,7)8" - }, - "DIPPR107": [ - 65117.8785262807, - 115869.22370065535, - 325.646715896692, - -48458.82836979448, - 333.2871528190718 - ] - }, - { - "identifier": { - "cas": "76-13-1", - "name": "1,1,2-trichlorotrifluoroethane", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "formula": "C2Cl3F3", - "smiles": "C(C(F)(Cl)Cl)(F)(F)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "DIPPR107": [ - 61865.38080772189, - 122477.3347517985, - 0.1270576736904013, - -177710.6023203886, - 231.5429386488084 - ] - }, - { - "identifier": { - "cas": "76-15-3", - "name": "chloropentafluoroethane", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "formula": "C2ClF5", - "smiles": "C(C(F)(F)Cl)(F)(F)F", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "DIPPR107": [ - 58843.35174702669, - 124662.26593171191, - 450.3761681291782, - -29713.65177764661, - 530.4450686749079 - ] - }, - { - "identifier": { - "cas": "76-16-4", - "name": "hexafluoroethane", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "formula": "C2F6", - "smiles": "C(C(F)(F)F)(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "DIPPR107": [ - 47366.000426377395, - 132699.65884506007, - 326.75070470694544, - -71751.82660072013, - 372.1435313139798 - ] - }, - { - "identifier": { - "cas": "76-19-7", - "name": "perfluoropropane", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "formula": "C3F8", - "smiles": "C(C(F)(F)F)(C(F)(F)F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "DIPPR107": [ - 70099.56074791464, - 186165.05511214375, - 435.0862999886343, - -46371.76420424378, - 506.308421712608 - ] - }, - { - "identifier": { - "cas": "760-20-3", - "name": "3-methyl-1-pentene", - "iupac_name": "3-methylpent-1-ene", - "formula": "C6H12", - "smiles": "CCC(C)C=C", - "inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3" - }, - "DIPPR107": [ - 60694.937010245565, - 321711.9909387582, - 532.2131115453519, - -178204.1981878378, - 661.0290104386362 - ] - }, - { - "identifier": { - "cas": "760-21-4", - "name": "2-ethyl-1-butene", - "iupac_name": "3-methylidenepentane", - "formula": "C6H12", - "smiles": "CCC(=C)CC", - "inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3" - }, - "DIPPR107": [ - 61889.01854061555, - 322557.5710619437, - 567.2715345617638, - -173332.61821183184, - 678.085417050403 - ] - }, - { - "identifier": { - "cas": "762-49-2", - "name": "2-fluoroethyl bromide", - "iupac_name": "1-bromo-2-fluoroethane", - "formula": "C2H4BrF", - "smiles": "C(CBr)F", - "inchi": "InChI=1S/C2H4BrF/c3-1-2-4/h1-2H2" - }, - "DIPPR107": [ - 43386.13482379922, - 128531.09650184964, - 567.9703837695365, - -69104.9606531214, - 639.27937387931 - ] - }, - { - "identifier": { - "cas": "762-50-5", - "name": "1-chloro-2-fluoroethane", - "iupac_name": "1-chloro-2-fluoroethane", - "formula": "C2H4ClF", - "smiles": "C(CCl)F", - "inchi": "InChI=1S/C2H4ClF/c3-1-2-4/h1-2H2" - }, - "DIPPR107": [ - 42065.86632019795, - 129974.41081698012, - 576.9737701195373, - -68642.86510337073, - 643.5302721733036 - ] - }, - { - "identifier": { - "cas": "762-51-6", - "name": "762-51-6", - "iupac_name": "1-fluoro-2-iodoethane", - "formula": "C2H4FI", - "smiles": "C(CI)F", - "inchi": "InChI=1S/C2H4FI/c3-1-2-4/h1-2H2" - }, - "DIPPR107": [ - 44888.34689939625, - 126705.59461384389, - 552.7525261468397, - -70737.32476814905, - 629.6920417280439 - ] - }, - { - "identifier": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "formula": "C6H12", - "smiles": "CCCC(=C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "DIPPR107": [ - 61889.01854061555, - 319656.24965583836, - 537.3275501659334, - -186116.66442530334, - 648.3878578237553 - ] - }, - { - "identifier": { - "cas": "7632-51-1", - "name": "vanadium tetrachloride", - "iupac_name": "vanadium chloride", - "formula": "Cl4V", - "smiles": "Cl[V](Cl)(Cl)Cl", - "inchi": "InChI=1S/4ClH.V/h4*1H;/q;;;;+4/p-4" - }, - "DIPPR107": [ - 46927.63419289824, - 55692.287178047765, - 191.8402855237632, - 12381.744259326404, - 1175.074130175532 - ] - }, - { - "identifier": { - "cas": "7637-07-2", - "name": "boron trifluoride", - "iupac_name": "trifluoroborane", - "formula": "BF3", - "smiles": "B(F)(F)F", - "inchi": "InChI=1S/BF3/c2-1(3)4" - }, - "DIPPR107": [ - 33730.15540984468, - 49353.287587343584, - 450.3019261166722, - -20704.21276048056, - 504.3733241790961 - ] - }, - { - "identifier": { - "cas": "764-05-6", - "name": "cyanogen azide", - "iupac_name": "carbononitridic azide", - "formula": "CN4", - "smiles": "C(#N)N=[N+]=[N-]", - "inchi": "InChI=1S/CN4/c2-1-4-5-3" - }, - "DIPPR107": [ - 43960.62043819035, - 62698.507427989876, - 1015.5137250917486, - 38819.41228751476, - 418.3394182213404 - ] - }, - { - "identifier": { - "cas": "764-13-6", - "name": "2,5-dimethyl-2,4-hexadiene", - "iupac_name": "2,5-dimethylhexa-2,4-diene", - "formula": "C8H14", - "smiles": "CC(=CC=C(C)C)C", - "inchi": "InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3" - }, - "DIPPR107": [ - 81711.18719683221, - 412885.35006693366, - 552.324611993038, - -239825.0668144474, - 654.0408976695367 - ] - }, - { - "identifier": { - "cas": "7642-09-3", - "name": "cis-3-hexene", - "iupac_name": "(z)-hex-3-ene", - "formula": "C6H12", - "smiles": "CCC=CCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-" - }, - "DIPPR107": [ - 63059.34563492864, - 317965.79653077904, - 590.9247041091144, - -168850.64295235169, - 665.5525815216248 - ] - }, - { - "identifier": { - "cas": "7647-01-0", - "name": "hydrochloric acid", - "iupac_name": "chlorane", - "formula": "ClH", - "smiles": "Cl", - "inchi": "InChI=1S/ClH/h1H" - }, - "DIPPR107": [ - 29130.223962051386, - 10678.275170054598, - 4350.711996111751, - 8828.783191186089, - 2060.833645834389 - ] - }, - { - "identifier": { - "cas": "7647-19-0", - "name": "phosphorus pentafluoride", - "iupac_name": "pentafluoro-lambda5-phosphane", - "formula": "F5P", - "smiles": "FP(F)(F)(F)F", - "inchi": "InChI=1S/F5P/c1-6(2,3,4)5" - }, - "DIPPR107": [ - 45100.51375832598, - 87867.40135735413, - 342.1059283965735, - -40246.801620836115, - 333.8243542586545 - ] - }, - { - "identifier": { - "cas": "765-30-0", - "name": "cyclopropylamine", - "iupac_name": "cyclopropanamine", - "formula": "C3H7N", - "smiles": "C1CC1N", - "inchi": "InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2" - }, - "DIPPR107": [ - 38384.22729644028, - 205607.75538828288, - 525.6312498821457, - -132225.2948235369, - 671.3026138957679 - ] - }, - { - "identifier": { - "cas": "765-47-9", - "name": "1,2-dimethylcyclopentene", - "iupac_name": "1,2-dimethylcyclopentene", - "formula": "C7H12", - "smiles": "CC1=C(CCC1)C", - "inchi": "InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h3-5H2,1-2H3" - }, - "DIPPR107": [ - 64987.022428753655, - 367817.57758969243, - 642.7998453969442, - -193006.80417991403, - 741.3325750209027 - ] - }, - { - "identifier": { - "cas": "766-90-5", - "name": "cis-beta-methylstyrene", - "iupac_name": "[(z)-prop-1-enyl]benzene", - "formula": "C9H10", - "smiles": "CC=CC1=CC=CC=C1", - "inchi": "InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2-" - }, - "DIPPR107": [ - 58457.239147045344, - 374704.6109050825, - 567.1134340777322, - -196534.07649863447, - 693.4344062433584 - ] - }, - { - "identifier": { - "cas": "7664-39-3", - "name": "hydrofluoric acid", - "iupac_name": "fluorane", - "formula": "FH", - "smiles": "F", - "inchi": "InChI=1S/FH/h1H" - }, - "DIPPR107": [ - 29136.249111365527, - 9849.876629168308, - 3257.8219269510187, - 1395.8207509337453, - 1930.2659272788976 - ] - }, - { - "identifier": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "formula": "H3N", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "DIPPR107": [ - 33342.9476551967, - 51214.42154319686, - 2071.8639384043254, - 20835.72301614786, - 878.6148878234869 - ] - }, - { - "identifier": { - "cas": "767-00-0", - "name": "4-hydroxybenzonitrile", - "iupac_name": "4-hydroxybenzonitrile", - "formula": "C7H5NO", - "smiles": "C1=CC(=CC=C1C#N)O", - "inchi": "InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H" - }, - "DIPPR107": [ - 48972.15297767942, - 266654.66031237703, - 460.8111996761421, - -153644.36762023706, - 541.1405126751054 - ] - }, - { - "identifier": { - "cas": "7688-21-3", - "name": "cis-2-hexene", - "iupac_name": "(z)-hex-2-ene", - "formula": "C6H12", - "smiles": "CCCC=CC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-" - }, - "DIPPR107": [ - 63059.34563492864, - 315282.7062661546, - 557.4698174749008, - -184274.1433848835, - 634.7590213344622 - ] - }, - { - "identifier": { - "cas": "77-78-1", - "name": "dimethyl sulfate", - "iupac_name": "dimethyl sulfate", - "formula": "C2H6O4S", - "smiles": "COS(=O)(=O)OC", - "inchi": "InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3" - }, - "DIPPR107": [ - 41571.65, - 237376.82888352178, - 473.6532269351727, - -119483.85470167146, - 601.4647217595602 - ] - }, - { - "identifier": { - "cas": "7705-07-9", - "name": "titanium trichloride", - "iupac_name": "titanium trichloride", - "formula": "Cl3Ti", - "smiles": "Cl[Ti](Cl)Cl", - "inchi": "InChI=1S/3ClH.Ti/h3*1H;/q;;;+3/p-3" - }, - "DIPPR107": [ - 38499.80940312443, - 46944.800615070606, - 308.9070961906866, - 4237.041138460642, - 695.2508982117234 - ] - }, - { - "identifier": { - "cas": "771-56-2", - "name": "2,3,4,5,6-pentafluorotoluene", - "iupac_name": "1,2,3,4,5-pentafluoro-6-methylbenzene", - "formula": "C7H3F5", - "smiles": "CC1=C(C(=C(C(=C1F)F)F)F)F", - "inchi": "InChI=1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3" - }, - "DIPPR107": [ - 62697.11763266453, - 316959.6544076628, - 496.4233008593042, - -156862.45835780472, - 687.2311535438085 - ] - }, - { - "identifier": { - "cas": "771-61-9", - "name": "pentafluorophenol", - "iupac_name": "2,3,4,5,6-pentafluorophenol", - "formula": "C6HF5O", - "smiles": "C1(=C(C(=C(C(=C1F)F)F)F)F)O", - "inchi": "InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" - }, - "DIPPR107": [ - 57633.85562245768, - 243571.34441881435, - 375.3489485427125, - -117290.33961037504, - 498.1944325997032 - ] - }, - { - "identifier": { - "cas": "7719-09-7", - "name": "thionyl chloride", - "iupac_name": "thionyl dichloride", - "formula": "Cl2OS", - "smiles": "O=S(Cl)Cl", - "inchi": "InChI=1S/Cl2OS/c1-4(2)3" - }, - "DIPPR107": [ - 41571.65, - 41563.85239583976, - 733.820682217683, - 40603.62228524108, - 327.3360751941888 - ] - }, - { - "identifier": { - "cas": "7722-84-1", - "name": "hydrogen peroxide", - "iupac_name": "hydrogen peroxide", - "formula": "H2O2", - "smiles": "OO", - "inchi": "InChI=1S/H2O2/c1-2/h1-2H" - }, - "DIPPR107": [ - 34608.98014594826, - 38570.17853885457, - 1351.5994358367805, - 27484.39612796264, - 547.2615643484354 - ] - }, - { - "identifier": { - "cas": "7726-12-7", - "name": "carbonic bromide chloride", - "iupac_name": "carbonic bromide chloride", - "formula": "CBrClO", - "smiles": "O=C(Cl)Br", - "inchi": "InChI=1S/CBrClO/c2-1(3)4" - }, - "DIPPR107": [ - 39751.00974689841, - 43175.22339046816, - 417.1367802440431, - -11406.942151332472, - 583.2449020189799 - ] - }, - { - "identifier": { - "cas": "7726-95-6", - "name": "bromine", - "iupac_name": "molecular bromine", - "formula": "Br2", - "smiles": "BrBr", - "inchi": "InChI=1S/Br2/c1-2" - }, - "DIPPR107": [ - 33793.53761816876, - 4832.641000513968, - 1438.0824182275956, - 6501.665014801667, - 530.3757217296119 - ] - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "formula": "N2", - "smiles": "N#N", - "inchi": "InChI=1S/N2/c1-2" - }, - "DIPPR107": [ - 27793.878903839046, - 10976.139900805976, - 1934.0352953873492, - 3084.612339099135, - 319.2439919231534 - ] - }, - { - "identifier": { - "cas": "773-82-0", - "name": "pentafluorobenzonitrile", - "iupac_name": "2,3,4,5,6-pentafluorobenzonitrile", - "formula": "C7F5N", - "smiles": "C(#N)C1=C(C(=C(C(=C1F)F)F)F)F", - "inchi": "InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10" - }, - "DIPPR107": [ - 73245.64591981097, - 233303.88701122097, - 397.07265700485294, - -102693.890206084, - 508.9845626447951 - ] - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "formula": "H2O", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "DIPPR107": [ - 33330.56285173872, - 27617.591319742987, - 2687.813077081788, - 9060.280050946272, - 1169.3256716615217 - ] - }, - { - "identifier": { - "cas": "7747-84-4", - "name": "1-chloroprop-1-yne", - "iupac_name": "1-chloroprop-1-yne", - "formula": "C3H3Cl", - "smiles": "CC#CCl", - "inchi": "InChI=1S/C3H3Cl/c1-2-3-4/h1H3" - }, - "DIPPR107": [ - 56348.52553729419, - 98385.1415223549, - 682.220265130395, - -48224.500790278194, - 820.177788325856 - ] - }, - { - "identifier": { - "cas": "7782-41-4", - "name": "fluorine", - "iupac_name": "molecular fluorine", - "formula": "F2", - "smiles": "FF", - "inchi": "InChI=1S/F2/c1-2" - }, - "DIPPR107": [ - 29209.240899753007, - 10498.960630175754, - 1764.8893021772428, - 11393.702135945376, - 723.9102015088508 - ] - }, - { - "identifier": { - "cas": "7782-44-7", - "name": "oxygen", - "iupac_name": "molecular oxygen", - "formula": "O2", - "smiles": "O=O", - "inchi": "InChI=1S/O2/c1-2" - }, - "DIPPR107": [ - 29160.9475054603, - 11216.156790071956, - 2966.902058607398, - 10599.871468066542, - 1218.1696374392527 - ] - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine", - "iupac_name": "molecular chlorine", - "formula": "Cl2", - "smiles": "ClCl", - "inchi": "InChI=1S/Cl2/c1-2" - }, - "DIPPR107": [ - 32411.21252621832, - 6929.799466587157, - 2102.2147960397783, - 9088.160939507003, - 759.8662922872722 - ] - }, - { - "identifier": { - "cas": "7782-65-2", - "name": "germane", - "iupac_name": "germane", - "formula": "GeH4", - "smiles": "[GeH4]", - "inchi": "InChI=1S/GeH4/h1H4" - }, - "DIPPR107": [ - 80716.4355424012, - 38524.71840627155, - 2568.615646456264, - -141309.59862743053, - 177.49423551605855 - ] - }, - { - "identifier": { - "cas": "7782-77-6", - "name": "nitrous acid", - "iupac_name": "nitrous acid", - "formula": "HNO2", - "smiles": "N(=O)O", - "inchi": "InChI=1S/HNO2/c2-1-3/h(H,2,3)" - }, - "DIPPR107": [ - 33418.345622609864, - 43939.6558569122, - 1050.1360564125694, - 27055.29875699624, - 470.78069667816607 - ] - }, - { - "identifier": { - "cas": "7782-79-8", - "name": "hydrazoic acid", - "iupac_name": "diazonioazanide", - "formula": "HN3", - "smiles": "N=[N+]=[N-]", - "inchi": "InChI=1S/HN3/c1-3-2/h1H" - }, - "DIPPR107": [ - 33555.37677559645, - 46251.29861861039, - 1222.4663635069303, - 26548.77258183083, - 513.6544872387734 - ] - }, - { - "identifier": { - "cas": "7782-94-7", - "name": "nitramide", - "iupac_name": "nitramide", - "formula": "H2N2O2", - "smiles": "N[N+](=O)[O-]", - "inchi": "InChI=1S/H2N2O2/c1-2(3)4/h1H2" - }, - "DIPPR107": [ - 34247.72574274028, - 91468.15869048804, - 1084.6994032695693, - 54428.435307147265, - 466.2421194496546 - ] - }, - { - "identifier": { - "cas": "7783-06-4", - "name": "hydrogen sulfide", - "iupac_name": "sulfane", - "formula": "H2S", - "smiles": "S", - "inchi": "InChI=1S/H2S/h1H2" - }, - "DIPPR107": [ - 33314.78663697781, - 27734.837722277796, - 2012.5077191468424, - 9867.22108225388, - 900.5827974884303 - ] - }, - { - "identifier": { - "cas": "7783-41-7", - "name": "oxygen difluoride", - "iupac_name": "fluoro hypofluorite", - "formula": "F2O", - "smiles": "O(F)F", - "inchi": "InChI=1S/F2O/c1-3-2" - }, - "DIPPR107": [ - 33196.38812447352, - 25064.08610138832, - 688.6363164967214, - 10035.720278605311, - 338.426638249852 - ] - }, - { - "identifier": { - "cas": "7783-42-8", - "name": "thionyl fluoride", - "iupac_name": "thionyl fluoride", - "formula": "F2OS", - "smiles": "O=S(F)F", - "inchi": "InChI=1S/F2OS/c1-4(2)3" - }, - "DIPPR107": [ - 37555.90699816046, - 45582.64843965727, - 875.1255334471819, - 35420.737092882526, - 428.1671117463651 - ] - }, - { - "identifier": { - "cas": "7783-54-2", - "name": "nitrogen trifluoride", - "iupac_name": "nitrogen trifluoride", - "formula": "F3N", - "smiles": "N(F)(F)F", - "inchi": "InChI=1S/F3N/c1-4(2)3" - }, - "DIPPR107": [ - 32719.04757234632, - 50315.16012062439, - 602.9192755225129, - 13894.130575419158, - 296.08530652745355 - ] - }, - { - "identifier": { - "cas": "7783-55-3", - "name": "phosphorus trifluoride", - "iupac_name": "trifluorophosphane", - "formula": "F3P", - "smiles": "FP(F)F", - "inchi": "InChI=1S/F3P/c1-4(2)3" - }, - "DIPPR107": [ - 32953.78000469529, - 50122.100611284455, - 590.0709678554822, - 25386.55811519318, - 273.9124821220732 - ] - }, - { - "identifier": { - "cas": "7783-61-1", - "name": "tetrafluorosilane", - "iupac_name": "tetrafluorosilane", - "formula": "F4Si", - "smiles": "F[Si](F)(F)F", - "inchi": "InChI=1S/F4Si/c1-5(2,3)4" - }, - "DIPPR107": [ - 36131.51320356945, - 71842.2539055975, - 293.2753772048081, - -34654.21639503593, - 348.0025858854184 - ] - }, - { - "identifier": { - "cas": "7783-64-4", - "name": "zirconium fluoride", - "iupac_name": "zirconium tetrafluoride", - "formula": "F4Zr", - "smiles": "F[Zr](F)(F)F", - "inchi": "InChI=1S/4FH.Zr/h4*1H;/q;;;;+4/p-4" - }, - "DIPPR107": [ - 63150.290953215896, - 44939.64988550183, - 736.3065067499771, - 37345.2024471129, - 378.1763954903087 - ] - }, - { - "identifier": { - "cas": "7783-66-6", - "name": "iodine pentafluoride", - "iupac_name": "pentafluoro-lambda5-iodane", - "formula": "F5I", - "smiles": "FI(F)(F)(F)F", - "inchi": "InChI=1S/F5I/c1-6(2,3,4)5" - }, - "DIPPR107": [ - 60459.92498622655, - 72622.95763939347, - 890.2376116011138, - 77360.64031389315, - 435.85186834022414 - ] - }, - { - "identifier": { - "cas": "7783-79-1", - "name": "selenium hexafluoride", - "iupac_name": "selenium hexafluoride", - "formula": "F6Se", - "smiles": "F[Se](F)(F)(F)(F)F", - "inchi": "InChI=1S/F6Se/c1-7(2,3,4,5)6" - }, - "DIPPR107": [ - 42082.10822134411, - 108398.26296481768, - 356.343258041485, - 14838.652607205348, - 1383.7634340193697 - ] - }, - { - "identifier": { - "cas": "7783-80-4", - "name": "tellurium hexafluoride", - "iupac_name": "tellurium hexafluoride", - "formula": "F6Te", - "smiles": "F[Te](F)(F)(F)(F)F", - "inchi": "InChI=1S/F6Te/c1-7(2,3,4,5)6" - }, - "DIPPR107": [ - 0.051194947798027454, - 102739.7392760149, - 101.99190121994242, - 127513.60309165328, - 999.8300278004187 - ] - }, - { - "identifier": { - "cas": "7784-18-1", - "name": "aluminum fluoride", - "iupac_name": "aluminum trifluoride", - "formula": "AlF3", - "smiles": "F[Al](F)F", - "inchi": "InChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3" - }, - "DIPPR107": [ - 48930.16159769902, - 34238.66654452962, - 1103.6850987354867, - 35442.361805097215, - 536.8017790548188 - ] - }, - { - "identifier": { - "cas": "7784-42-1", - "name": "arsine", - "iupac_name": "arsane", - "formula": "AsH3", - "smiles": "[AsH3]", - "inchi": "InChI=1S/AsH3/h1H3" - }, - "DIPPR107": [ - 33254.18254820097, - 49904.926448051636, - 1525.8552767025387, - 25461.986766197522, - 722.3427465384555 - ] - }, - { - "identifier": { - "cas": "7785-26-4", - "name": "(-)-alpha-pinene", - "iupac_name": "(1s,5s)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "formula": "C10H16", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1" - }, - "DIPPR107": [ - 64454.86415003281, - 467935.99746185134, - 407.1444924285016, - -353802.35557541566, - 466.0324055530069 - ] - }, - { - "identifier": { - "cas": "7789-20-0", - "name": "deuterium oxide", - "iupac_name": "deuterated water", - "formula": "H2O", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2/i/hD2" - }, - "DIPPR107": [ - 33329.31975221949, - 27117.72519231114, - 2041.8470066844047, - 10278.134542532247, - 903.6030449332416 - ] - }, - { - "identifier": { - "cas": "7789-33-5", - "name": "iodine monobromide", - "iupac_name": "iodine bromide", - "formula": "BrI", - "smiles": "BrI", - "inchi": "InChI=1S/BrI/c1-2" - }, - "DIPPR107": [ - 35416.02187865511, - 3178.182667987187, - 1635.5953888798665, - 3773.9834424174705, - 601.9479009465422 - ] - }, - { - "identifier": { - "cas": "7789-57-3", - "name": "13842-48-3", - "iupac_name": "tribromosilicon", - "formula": "Br3Si", - "smiles": "[Si](Br)(Br)Br", - "inchi": "InChI=1S/Br3Si/c1-4(2)3" - }, - "DIPPR107": [ - 52078.33627721817, - 54969.74056780448, - 363.3411341554887, - -16020.390750946364, - 535.6906126071973 - ] - }, - { - "identifier": { - "cas": "7789-66-4", - "name": "tetrabromosilane", - "iupac_name": "tetrabromosilane", - "formula": "Br4Si", - "smiles": "[Si](Br)(Br)(Br)Br", - "inchi": "InChI=1S/Br4Si/c1-5(2,3)4" - }, - "DIPPR107": [ - 15.279280106282542, - 108064.60050634464, - 89.28024750424589, - -34834.21554602014, - 162.58886999167635 - ] - }, - { - "identifier": { - "cas": "7790-89-8", - "name": "chlorine fluoride", - "iupac_name": "chlorine fluoride", - "formula": "ClF", - "smiles": "FCl", - "inchi": "InChI=1S/ClF/c1-2" - }, - "DIPPR107": [ - 30188.187885109353, - 8734.545528315992, - 1753.8506285820474, - 10526.153390401958, - 729.7092212453985 - ] - }, - { - "identifier": { - "cas": "7790-92-3", - "name": "hypochlorous acid", - "iupac_name": "hypochlorous acid", - "formula": "ClHO", - "smiles": "OCl", - "inchi": "InChI=1S/ClHO/c1-2/h2H" - }, - "DIPPR107": [ - 33816.68170223619, - 22586.192149809252, - 1703.5305986399612, - 17240.16335020981, - 708.4246706075244 - ] - }, - { - "identifier": { - "cas": "7790-99-0", - "name": "iodine monochloride", - "iupac_name": "iodine chloride", - "formula": "ClI", - "smiles": "ClI", - "inchi": "InChI=1S/ClI/c1-2" - }, - "DIPPR107": [ - 33397.834510312925, - 5051.134156338716, - 1395.0570731256155, - 6577.474369248743, - 556.8873763900451 - ] - }, - { - "identifier": { - "cas": "7791-21-1", - "name": "chlorine monoxide", - "iupac_name": "chloro hypochlorite", - "formula": "Cl2O", - "smiles": "O(Cl)Cl", - "inchi": "InChI=1S/Cl2O/c1-3-2" - }, - "DIPPR107": [ - 39264.69941673439, - 19004.873667180782, - 1153.2066855156595, - 19669.037890622843, - 567.484020299841 - ] - }, - { - "identifier": { - "cas": "78-01-3", - "name": "1,1-diethylcyclohexane", - "iupac_name": "1,1-diethylcyclohexane", - "formula": "C10H20", - "smiles": "CCC1(CCCCC1)CC", - "inchi": "InChI=1S/C10H20/c1-3-10(4-2)8-6-5-7-9-10/h3-9H2,1-2H3" - }, - "DIPPR107": [ - 75547.32636200261, - 566487.3708547603, - 438.5146356821896, - -467017.2606253791, - 480.18601173042606 - ] - }, - { - "identifier": { - "cas": "78-10-4", - "name": "tetraethyl orthosilicate", - "iupac_name": "tetraethyl silicate", - "formula": "C8H20O4Si", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "DIPPR107": [ - 144430.6401614005, - 644592.0127518236, - 611.8781251140794, - -349165.81300842296, - 741.9374228188078 - ] - }, - { - "identifier": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "formula": "C5H12", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "DIPPR107": [ - 57132.72681628037, - 314086.9393122454, - 573.5804147337051, - -189610.97570610882, - 678.0744776669926 - ] - }, - { - "identifier": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "formula": "C5H8", - "smiles": "CC(=C)C=C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "DIPPR107": [ - 49199.27617306357, - 235803.75359457606, - 566.3378816998296, - -125333.06381604506, - 700.5994931973323 - ] - }, - { - "identifier": { - "cas": "78-81-9", - "name": "isobutylamine", - "iupac_name": "2-methylpropan-1-amine", - "formula": "C4H11N", - "smiles": "CC(C)CN", - "inchi": "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3" - }, - "DIPPR107": [ - 41253.981621153456, - 271984.6175126078, - 330.5115087827825, - -254679.64014180255, - 421.1126315607618 - ] - }, - { - "identifier": { - "cas": "78-83-1", - "name": "isobutanol", - "iupac_name": "2-methylpropan-1-ol", - "formula": "C4H10O", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "DIPPR107": [ - 54278.31724517163, - 254573.71858641776, - 451.2744560528747, - -194334.63438642136, - 527.4221345149389 - ] - }, - { - "identifier": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "formula": "C4H10O", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "DIPPR107": [ - 57877.18510179668, - 245513.06387401198, - 446.5736000384318, - -192484.10740943963, - 522.0111255236759 - ] - }, - { - "identifier": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "formula": "C4H8O", - "smiles": "CCC(=O)C", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "DIPPR107": [ - 49563.99438782149, - 211843.8198133659, - 383.1576557533887, - -188985.8716514628, - 481.4148356445354 - ] - }, - { - "identifier": { - "cas": "7803-51-2", - "name": "phosphine", - "iupac_name": "phosphane", - "formula": "H3P", - "smiles": "P", - "inchi": "InChI=1S/H3P/h1H3" - }, - "DIPPR107": [ - 33265.98951630786, - 49832.83238370572, - 1665.6901883196626, - 24874.677100539935, - 800.2873054599595 - ] - }, - { - "identifier": { - "cas": "7803-62-5", - "name": "silane", - "iupac_name": "silane", - "formula": "H4Si", - "smiles": "[SiH4]", - "inchi": "InChI=1S/H4Si/h1H4" - }, - "DIPPR107": [ - 33267.00828298765, - 74589.8158623238, - 1456.6758373717253, - 42715.25209353579, - 678.9094829514347 - ] - }, - { - "identifier": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "formula": "C2H3Cl3", - "smiles": "C(C(Cl)Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "DIPPR107": [ - 48812.89149756463, - 124483.00338019493, - 498.70176723051793, - -52169.75755373558, - 647.9164246271168 - ] - }, - { - "identifier": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "formula": "C2HCl3", - "smiles": "C(=C(Cl)Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "DIPPR107": [ - 48544.64336640986, - 82517.57839156216, - 470.14299570369184, - -26475.28926619594, - 636.7019990083065 - ] - }, - { - "identifier": { - "cas": "79-03-8", - "name": "propionyl chloride", - "iupac_name": "propanoyl chloride", - "formula": "C3H5ClO", - "smiles": "CCC(=O)Cl", - "inchi": "InChI=1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3" - }, - "DIPPR107": [ - 48496.36132895664, - 166579.84374702198, - 486.81722235012046, - -110741.00184431998, - 637.4748171307322 - ] - }, - { - "identifier": { - "cas": "79-06-1", - "name": "acrylamide", - "iupac_name": "prop-2-enamide", - "formula": "C3H5NO", - "smiles": "C=CC(=O)N", - "inchi": "InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)" - }, - "DIPPR107": [ - 36268.71088936663, - 184723.5907320463, - 547.0436208538396, - -96888.79246723096, - 662.2679451899877 - ] - }, - { - "identifier": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "formula": "C3H7NO", - "smiles": "CC(=O)NC", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "DIPPR107": [ - 44779.76731091419, - 217914.4523743317, - 565.7295670797124, - -129824.54681504256, - 705.8598913625568 - ] - }, - { - "identifier": { - "cas": "79-19-6", - "name": "thiosemicarbazide", - "iupac_name": "aminothiourea", - "formula": "CH5N3S", - "smiles": "C(=S)(N)NN", - "inchi": "InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)" - }, - "DIPPR107": [ - 25093.69496471755, - 169388.3857911493, - 220.3238301735162, - -129631.3830168817, - 276.2908866876856 - ] - }, - { - "identifier": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "formula": "C3H6O2", - "smiles": "CC(=O)OC", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "DIPPR107": [ - 55838.90696138751, - 174321.863490745, - 491.64026876583057, - -141274.25077792795, - 554.0518088895523 - ] - }, - { - "identifier": { - "cas": "79-27-6", - "name": "1,1,2,2-tetrabromoethane", - "iupac_name": "1,1,2,2-tetrabromoethane", - "formula": "C2H2Br4", - "smiles": "C(C(Br)Br)(Br)Br", - "inchi": "InChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H" - }, - "DIPPR107": [ - 63518.229692426015, - 107485.3459043111, - 378.0227802971977, - -50660.0877861875, - 442.2049232172526 - ] - }, - { - "identifier": { - "cas": "79-28-7", - "name": "tetrabromoethylene", - "iupac_name": "1,1,2,2-tetrabromoethene", - "formula": "C2Br4", - "smiles": "C(=C(Br)Br)(Br)Br", - "inchi": "InChI=1S/C2Br4/c3-1(4)2(5)6" - }, - "DIPPR107": [ - 64444.06309164123, - 68340.2693494115, - 308.39909108809485, - -23648.32170098152, - 405.13584341485415 - ] - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "formula": "C6H14", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "DIPPR107": [ - 65995.73089762454, - 369401.59095301066, - 576.4450120578095, - -210968.107429293, - 682.3682491655862 - ] - }, - { - "identifier": { - "cas": "79-38-9", - "name": "chlorotrifluoroethylene", - "iupac_name": "1-chloro-1,2,2-trifluoroethene", - "formula": "C2ClF3", - "smiles": "C(=C(F)Cl)(F)F", - "inchi": "InChI=1S/C2ClF3/c3-1(4)2(5)6" - }, - "DIPPR107": [ - 45353.53734201974, - 87389.8555063723, - 380.7746190256645, - -35288.54098821506, - 481.9981603546653 - ] - }, - { - "identifier": { - "cas": "80156-16-7", - "name": "2,4-cyclopentadien-1-ol", - "iupac_name": "cyclopenta-2,4-dien-1-ol", - "formula": "C5H6O", - "smiles": "C1=CC(C=C1)O", - "inchi": "InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-6H" - }, - "DIPPR107": [ - 43427.66088993184, - 229045.94442548527, - 565.1648537629525, - -125318.90178131312, - 665.718763570146 - ] - }, - { - "identifier": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "formula": "C2H2F4", - "smiles": "C(C(F)(F)F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "DIPPR107": [ - 43285.54879073774, - 127588.25114396933, - 361.6235644776133, - -87978.60808498198, - 406.71880235582086 - ] - }, - { - "identifier": { - "cas": "811-98-3", - "name": "methanol-d4", - "iupac_name": "trideuterio(deuteriooxy)methane", - "formula": "CH4O", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D" - }, - "DIPPR107": [ - 39137.378686022625, - 87252.30852578561, - 1311.3072287596954, - 42960.76651001319, - 622.9658593697382 - ] - }, - { - "identifier": { - "cas": "818-92-8", - "name": "allyl fluoride", - "iupac_name": "3-fluoroprop-1-ene", - "formula": "C3H5F", - "smiles": "C=CCF", - "inchi": "InChI=1S/C3H5F/c1-2-3-4/h2H,1,3H2" - }, - "DIPPR107": [ - 39916.66865254851, - 153078.46333386874, - 579.5696096206112, - -81617.68692038901, - 653.6916229693718 - ] - }, - { - "identifier": { - "cas": "821-95-4", - "name": "1-undecene", - "iupac_name": "undec-1-ene", - "formula": "C11H22", - "smiles": "CCCCCCCCCC=C", - "inchi": "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3" - }, - "DIPPR107": [ - 100587.790613453, - 634336.1708584843, - 540.9583412503911, - -371649.5973180431, - 691.529018795119 - ] - }, - { - "identifier": { - "cas": "822-35-5", - "name": "cyclobutene", - "iupac_name": "cyclobutene", - "formula": "C4H6", - "smiles": "C1CC=C1", - "inchi": "InChI=1S/C4H6/c1-2-4-3-1/h1-2H,3-4H2" - }, - "DIPPR107": [ - 35130.56860709798, - 184541.6475088785, - 623.055377651462, - -91462.33517840093, - 674.1180155534444 - ] - }, - { - "identifier": { - "cas": "822-50-4", - "name": "trans-1,2-dimethylcyclopentane", - "iupac_name": "trans-(1r,2r)-1,2-dimethylcyclopentane", - "formula": "C7H14", - "smiles": "CC1CCCC1C", - "inchi": "InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1" - }, - "DIPPR107": [ - 62690.17338380742, - 418610.3222029281, - 647.1397514066034, - -204773.9012917892, - 747.3761709097467 - ] - }, - { - "identifier": { - "cas": "827-15-6", - "name": "iodopentafluorobenzene", - "iupac_name": "1,2,3,4,5-pentafluoro-6-iodobenzene", - "formula": "C6F5I", - "smiles": "C1(=C(C(=C(C(=C1F)F)I)F)F)F", - "inchi": "InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "DIPPR107": [ - 68059.6082542088, - 216993.43532763908, - 399.03920261905, - -76908.94931787423, - 509.8997205831657 - ] - }, - { - "identifier": { - "cas": "83-53-4", - "name": "1,4-dibromonaphthalene", - "iupac_name": "1,4-dibromonaphthalene", - "formula": "C10H6Br2", - "smiles": "C1=CC=C2C(=C1)C(=CC=C2Br)Br", - "inchi": "InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H" - }, - "DIPPR107": [ - 59364.89149771986, - 353763.9901587519, - 471.3816881699395, - -166668.50132278047, - 572.4729133773338 - ] - }, - { - "identifier": { - "cas": "84-15-1", - "name": "o-terphenyl", - "iupac_name": "1,2-diphenylbenzene", - "formula": "C18H14", - "smiles": "C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3", - "inchi": "InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H" - }, - "DIPPR107": [ - 52157.89128602914, - 678127.7432897398, - 418.98018433867895, - -468195.02490000025, - 486.2551903406801 - ] - }, - { - "identifier": { - "cas": "84-65-1", - "name": "anthraquinone", - "iupac_name": "anthracene-9,10-dione", - "formula": "C14H8O2", - "smiles": "C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O", - "inchi": "InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H" - }, - "DIPPR107": [ - 75383.41790177379, - 479526.79206455586, - 494.2575490415069, - -282727.5416406865, - 552.1385060414956 - ] - }, - { - "identifier": { - "cas": "84-66-2", - "name": "diethyl phthalate", - "iupac_name": "diethyl benzene-1,2-dicarboxylate", - "formula": "C12H14O4", - "smiles": "CCOC(=O)C1=CC=CC=C1C(=O)OCC", - "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" - }, - "DIPPR107": [ - 113777.7164208205, - 532049.1262278529, - 412.7714535236635, - -382327.8482395329, - 485.1165933085471 - ] - }, - { - "identifier": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "formula": "C14H10", - "smiles": "C1=CC=C2C(=C1)C=CC3=CC=CC=C32", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "DIPPR107": [ - 42028.6517796449, - 479052.5531779556, - 333.72289705425976, - -413674.7978130124, - 383.9836906800036 - ] - }, - { - "identifier": { - "cas": "86-74-8", - "name": "carbazole", - "iupac_name": "9h-carbazole", - "formula": "C12H9N", - "smiles": "C1=CC=C2C(=C1)C3=CC=CC=C3N2", - "inchi": "InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H" - }, - "DIPPR107": [ - 41752.46742270647, - 434489.56620342715, - 320.0797163536092, - -385235.5785607032, - 371.3543099658636 - ] - }, - { - "identifier": { - "cas": "86-89-5", - "name": "1-pentylnaphthalene", - "iupac_name": "1-pentylnaphthalene", - "formula": "C15H18", - "smiles": "CCCCCC1=CC=CC2=CC=CC=C21", - "inchi": "InChI=1S/C15H18/c1-2-3-4-8-13-10-7-11-14-9-5-6-12-15(13)14/h5-7,9-12H,2-4,8H2,1H3" - }, - "DIPPR107": [ - 67582.11320551125, - 689136.2781542646, - 528.9399746864348, - -353952.2612924085, - 667.3421981994878 - ] - }, - { - "identifier": { - "cas": "865-46-3", - "name": "dimethylfluorosilane", - "iupac_name": "dimethylfluorosilane", - "formula": "C2H6FSi", - "smiles": "C[Si](C)F", - "inchi": "InChI=1S/C2H6FSi/c1-4(2)3/h1-2H3" - }, - "DIPPR107": [ - 47397.94163322999, - 189070.10970193334, - 520.8477078023483, - -98569.32502031574, - 694.9301529101747 - ] - }, - { - "identifier": { - "cas": "865-49-6", - "name": "chloroform-d", - "iupac_name": "trichloro(deuterio)methane", - "formula": "CHCl3", - "smiles": "C(Cl)(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H/i1D" - }, - "DIPPR107": [ - 40581.43305667697, - 66460.11509288003, - 451.3017000655819, - -15983.657079813118, - 584.373673593492 - ] - }, - { - "identifier": { - "cas": "865-50-9", - "name": "iodomethane-d3", - "iupac_name": "trideuterio(iodo)methane", - "formula": "CH3I", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3/i1D3" - }, - "DIPPR107": [ - 33723.430945012034, - 70437.07039176421, - 533.3620555652681, - -35975.22297542488, - 609.1531155757433 - ] - }, - { - "identifier": { - "cas": "87-61-6", - "name": "1,2,3-trichlorobenzene", - "iupac_name": "1,2,3-trichlorobenzene", - "formula": "C6H3Cl3", - "smiles": "C1=CC(=C(C(=C1)Cl)Cl)Cl", - "inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H" - }, - "DIPPR107": [ - 56257.20549811303, - 215947.8433382651, - 417.58464518221103, - -119012.38879241231, - 498.44895574659313 - ] - }, - { - "identifier": { - "cas": "87-85-4", - "name": "hexamethylbenzene", - "iupac_name": "1,2,3,4,5,6-hexamethylbenzene", - "formula": "C12H18", - "smiles": "CC1=C(C(=C(C(=C1C)C)C)C)C", - "inchi": "InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3" - }, - "DIPPR107": [ - 70414.23359575642, - 575327.6825502276, - 401.9975731199975, - -431262.52327527164, - 525.5431268242775 - ] - }, - { - "identifier": { - "cas": "870-23-5", - "name": "allyl mercaptan", - "iupac_name": "prop-2-ene-1-thiol", - "formula": "C3H6S", - "smiles": "C=CCS", - "inchi": "InChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2" - }, - "DIPPR107": [ - 47999.05896993545, - 176379.5965278564, - 535.9650833972314, - -111897.14930497679, - 648.496370981542 - ] - }, - { - "identifier": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "formula": "C10H20", - "smiles": "CCCCCCCCC=C", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "DIPPR107": [ - 92461.81433269438, - 572125.2737720858, - 542.9900869128501, - -339346.5772420779, - 680.1148078183309 - ] - }, - { - "identifier": { - "cas": "872-36-6", - "name": "vinylene carbonate", - "iupac_name": "1,3-dioxol-2-one", - "formula": "C3H2O3", - "smiles": "C1=COC(=O)O1", - "inchi": "InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H" - }, - "DIPPR107": [ - 35311.199630457006, - 136255.72198336083, - 370.068836509062, - -97910.33167067732, - 432.279048771706 - ] - }, - { - "identifier": { - "cas": "872-47-9", - "name": "silacyclopent-2-ene, 1,1-dichloro-", - "iupac_name": "1,1-dichloro-2,3-dihydrosilole", - "formula": "C4H6Cl2Si", - "smiles": "C1C[Si](C=C1)(Cl)Cl", - "inchi": "InChI=1S/C4H6Cl2Si/c5-7(6)3-1-2-4-7/h1,3H,2,4H2" - }, - "DIPPR107": [ - 68692.68660561224, - 229744.8808181363, - 567.6523899955201, - -100760.8687971023, - 705.5575799939487 - ] - }, - { - "identifier": { - "cas": "872-50-4", - "name": "1-methyl-2-pyrrolidinone", - "iupac_name": "1-methylpyrrolidin-2-one", - "formula": "C5H9NO", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "DIPPR107": [ - 57180.218484360696, - 273443.38247995166, - 428.1883144485892, - -222754.7721063577, - 476.6408119817655 - ] - }, - { - "identifier": { - "cas": "873-62-1", - "name": "3-cyanophenol", - "iupac_name": "3-hydroxybenzonitrile", - "formula": "C7H5NO", - "smiles": "C1=CC(=CC(=C1)O)C#N", - "inchi": "InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H" - }, - "DIPPR107": [ - 54399.42480178455, - 261076.03415441443, - 463.6592464460165, - -154771.14069202603, - 542.4010318116733 - ] - }, - { - "identifier": { - "cas": "873-66-5", - "name": "trans-beta-methylstyrene", - "iupac_name": "[(e)-prop-1-enyl]benzene", - "formula": "C9H10", - "smiles": "CC=CC1=CC=CC=C1", - "inchi": "InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+" - }, - "DIPPR107": [ - 58457.239147045344, - 374497.0945452409, - 569.7675232934437, - -189808.7086111439, - 698.3349059080089 - ] - }, - { - "identifier": { - "cas": "88-06-2", - "name": "2,4,6-trichlorophenol", - "iupac_name": "2,4,6-trichlorophenol", - "formula": "C6H3Cl3O", - "smiles": "C1=C(C=C(C(=C1Cl)O)Cl)Cl", - "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" - }, - "DIPPR107": [ - 58676.32829658423, - 237677.6966737325, - 386.1907600764967, - -127450.65526349065, - 489.137335697952 - ] - }, - { - "identifier": { - "cas": "88-73-3", - "name": "2-chloronitrobenzene", - "iupac_name": "1-chloro-2-nitrobenzene", - "formula": "C6H4ClNO2", - "smiles": "C1=CC=C(C(=C1)[N+](=O)[O-])Cl", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" - }, - "DIPPR107": [ - 53180.074894897814, - 256842.97255792216, - 441.81421786943486, - -129089.0156628571, - 498.33095130461953 - ] - }, - { - "identifier": { - "cas": "880-72-8", - "name": "1,4,5,8-tetradeuterionaphthalene", - "iupac_name": "naphthalene-1,4,5,8-d4", - "formula": "C10H8", - "smiles": "C=1C=CC=2C=CC=CC2C1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i5D,6D,7D,8D" - }, - "DIPPR107": [ - 36763.79486830531, - 359067.2986792145, - 349.4517764470048, - -294198.2059203358, - 394.5748080407516 - ] - }, - { - "identifier": { - "cas": "89457-95-4", - "name": "2-(methoxy-d3)-pyridine", - "iupac_name": "2-(methoxy-d3)-pyridine", - "formula": "C6H7NO", - "smiles": "N=1C=CC=CC1OC", - "inchi": "InChI=1S/C6H7NO/c1-8-6-4-2-3-5-7-6/h2-5H,1H3/i1D3" - }, - "DIPPR107": [ - 55516.52105173057, - 283675.80675616174, - 517.5168422722511, - -152401.83635475315, - 567.8909987188796 - ] - }, - { - "identifier": { - "cas": "90-11-9", - "name": "1-bromonaphthalene", - "iupac_name": "1-bromonaphthalene", - "formula": "C10H7Br", - "smiles": "C1=CC=C2C(=C1)C=CC=C2Br", - "inchi": "InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "DIPPR107": [ - 48689.44917549089, - 361821.0200579959, - 492.9337380482648, - -173745.28912248168, - 586.1752505320171 - ] - }, - { - "identifier": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "formula": "C11H10", - "smiles": "CC1=CC=CC2=CC=CC=C12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "DIPPR107": [ - 44354.2460153006, - 442137.5034329821, - 541.9324083826099, - -213270.0533810945, - 666.8519658886086 - ] - }, - { - "identifier": { - "cas": "90-13-1", - "name": "1-chloronaphthalene", - "iupac_name": "1-chloronaphthalene", - "formula": "C10H7Cl", - "smiles": "C1=CC=C2C(=C1)C=CC=C2Cl", - "inchi": "InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "DIPPR107": [ - 46356.19102700462, - 364247.6354966726, - 496.9032563144901, - -172199.08888079645, - 588.8355291087549 - ] - }, - { - "identifier": { - "cas": "90-14-2", - "name": "1-iodonaphthalene", - "iupac_name": "1-iodonaphthalene", - "formula": "C10H7I", - "smiles": "C1=CC=C2C(=C1)C=CC=C2I", - "inchi": "InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "DIPPR107": [ - 49716.736636844864, - 360762.48774212506, - 490.6356083282121, - -174462.40069137182, - 584.7228700836826 - ] - }, - { - "identifier": { - "cas": "90-15-3", - "name": "1-naphthol", - "iupac_name": "naphthalen-1-ol", - "formula": "C10H8O", - "smiles": "C1=CC=C2C(=C1)C=CC=C2O", - "inchi": "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" - }, - "DIPPR107": [ - 38036.252450164095, - 366857.68699383666, - 333.220089418176, - -316491.9131595371, - 386.0507686283853 - ] - }, - { - "identifier": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "formula": "C10H8", - "smiles": "C1=CC=C2C=CC=CC2=C1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "DIPPR107": [ - 37841.078975748846, - 360010.4118136241, - 412.2208368053491, - -263587.0754324807, - 471.2190832863144 - ] - }, - { - "identifier": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "formula": "C9H7N", - "smiles": "C1=CC=C2C(=C1)C=CC=N2", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "DIPPR107": [ - 37123.4903260891, - 326773.6136185203, - 346.93291307780896, - -282713.26383387175, - 391.246525399051 - ] - }, - { - "identifier": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "formula": "C11H10", - "smiles": "CC1=CC2=CC=CC=C2C=C1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "DIPPR107": [ - 44354.2460153006, - 442039.0183704269, - 538.1271005298809, - -220480.95701637206, - 665.624153029144 - ] - }, - { - "identifier": { - "cas": "91-58-7", - "name": "2-chloronaphthalene", - "iupac_name": "2-chloronaphthalene", - "formula": "C10H7Cl", - "smiles": "C1=CC=C2C=C(C=CC2=C1)Cl", - "inchi": "InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H" - }, - "DIPPR107": [ - 46356.19102700462, - 364403.2709989483, - 497.8686880764009, - -171168.14507414246, - 591.2650715223123 - ] - }, - { - "identifier": { - "cas": "91-59-8", - "name": "2-naphthylamine", - "iupac_name": "naphthalen-2-amine", - "formula": "C10H9N", - "smiles": "C1=CC=C2C=C(C=CC2=C1)N", - "inchi": "InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2" - }, - "DIPPR107": [ - 39270.736477296974, - 387075.61558029265, - 324.6163909693758, - -325204.6213559287, - 383.63061111744025 - ] - }, - { - "identifier": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "formula": "C12H10", - "smiles": "C1=CC=C(C=C1)C2=CC=CC=C2", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "DIPPR107": [ - 61656.42113423894, - 445719.8453046416, - 496.05772765520766, - -270254.5956983517, - 557.2125001550583 - ] - }, - { - "identifier": { - "cas": "92-84-2", - "name": "phenothiazine", - "iupac_name": "10h-phenothiazine", - "formula": "C12H9NS", - "smiles": "C1=CC=C2C(=C1)NC3=CC=CC=C3S2", - "inchi": "InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H" - }, - "DIPPR107": [ - 76180.3224733246, - 436380.01024307514, - 470.3725103502907, - -231404.17680994663, - 511.5572481739729 - ] - }, - { - "identifier": { - "cas": "92-86-4", - "name": "4,4'-dibromobiphenyl", - "iupac_name": "1-bromo-4-(4-bromophenyl)benzene", - "formula": "C12H8Br2", - "smiles": "C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br", - "inchi": "InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H" - }, - "DIPPR107": [ - 63616.229599234655, - 436092.0906877719, - 469.1630392371948, - -201217.92544990915, - 559.5786501998052 - ] - }, - { - "identifier": { - "cas": "920-42-3", - "name": "formic acid-d2", - "iupac_name": "deuterio deuterioformate", - "formula": "CH2O2", - "smiles": "C(=O)O", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D/hD" - }, - "DIPPR107": [ - 33723.3794148911, - 79085.2553498274, - 1073.0439191346145, - 34935.95833385632, - 464.86045450729887 - ] - }, - { - "identifier": { - "cas": "922-62-3", - "name": "cis-3-methyl-2-pentene", - "iupac_name": "(z)-3-methylpent-2-ene", - "formula": "C6H12", - "smiles": "CCC(=CC)C", - "inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4-" - }, - "DIPPR107": [ - 64990.454965884186, - 319229.6162866735, - 596.3207845569582, - -171412.390087972, - 687.3821098010634 - ] - }, - { - "identifier": { - "cas": "925-94-0", - "name": "925-94-0", - "iupac_name": "deuterio formate", - "formula": "CH2O2", - "smiles": "C(=O)O", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i/hD" - }, - "DIPPR107": [ - 33700.271281452166, - 74939.42889155824, - 1153.2353753567054, - 37151.47741586813, - 521.1160786017623 - ] - }, - { - "identifier": { - "cas": "93-22-1", - "name": "2-pentylnaphthalene", - "iupac_name": "2-pentylnaphthalene", - "formula": "C15H18", - "smiles": "CCCCCC1=CC2=CC=CC=C2C=C1", - "inchi": "InChI=1S/C15H18/c1-2-3-4-7-13-10-11-14-8-5-6-9-15(14)12-13/h5-6,8-12H,2-4,7H2,1H3" - }, - "DIPPR107": [ - 67582.11320551125, - 689011.0529653367, - 526.8945146561359, - -360535.82906734064, - 667.2116481425192 - ] - }, - { - "identifier": { - "cas": "930-28-9", - "name": "chlorocyclopentane", - "iupac_name": "chlorocyclopentane", - "formula": "C5H9Cl", - "smiles": "C1CCC(C1)Cl", - "inchi": "InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2" - }, - "DIPPR107": [ - 51826.734660942864, - 260719.70099714273, - 520.6142857403885, - -162826.68646346638, - 543.9099382932326 - ] - }, - { - "identifier": { - "cas": "931-78-2", - "name": "1-chloro-1-methylcyclohexane", - "iupac_name": "1-chloro-1-methylcyclohexane", - "formula": "C7H13Cl", - "smiles": "CC1(CCCCC1)Cl", - "inchi": "InChI=1S/C7H13Cl/c1-7(8)5-3-2-4-6-7/h2-6H2,1H3" - }, - "DIPPR107": [ - 58243.556290321765, - 404878.4910706621, - 456.6149292115669, - -301305.56084252574, - 518.109894000492 - ] - }, - { - "identifier": { - "cas": "931-89-5", - "name": "trans-cyclooctene", - "iupac_name": "cyclooctene", - "formula": "C8H14", - "smiles": "C1CCCC=CCC1", - "inchi": "InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1+" - }, - "DIPPR107": [ - 50748.07349862912, - 445612.26285251626, - 498.00832273347214, - -305877.6318698228, - 562.3020508000325 - ] - }, - { - "identifier": { - "cas": "939-27-5", - "name": "2-ethylnaphthalene", - "iupac_name": "2-ethylnaphthalene", - "formula": "C12H12", - "smiles": "CCC1=CC2=CC=CC=C2C=C1", - "inchi": "InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3" - }, - "DIPPR107": [ - 43204.18436323548, - 507003.8313326004, - 508.1529721366331, - -271961.0698971688, - 633.4976381426216 - ] - }, - { - "identifier": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "formula": "C8H10", - "smiles": "CC1=CC=CC=C1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "DIPPR107": [ - 44113.8448056262, - 347842.3947613423, - 389.4202019444404, - -304862.84155125724, - 488.8750079660407 - ] - }, - { - "identifier": { - "cas": "95-48-7", - "name": "o-cresol", - "iupac_name": "2-methylphenol", - "formula": "C7H8O", - "smiles": "CC1=CC=CC=C1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "DIPPR107": [ - 38753.22828543203, - 286690.0247850181, - 302.21816577922147, - -274473.44790714385, - 376.39945510904414 - ] - }, - { - "identifier": { - "cas": "95-50-1", - "name": "1,2-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "formula": "C6H4Cl2", - "smiles": "C1=CC=C(C(=C1)Cl)Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "DIPPR107": [ - 47776.49102985535, - 214568.9112694946, - 423.10323018619806, - -125526.07013867014, - 478.9866367070034 - ] - }, - { - "identifier": { - "cas": "95-51-2", - "name": "2-chloroaniline", - "iupac_name": "2-chloroaniline", - "formula": "C6H6ClN", - "smiles": "C1=CC=C(C(=C1)N)Cl", - "inchi": "InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2" - }, - "DIPPR107": [ - 45470.79904608179, - 265834.2830214755, - 510.1622854182487, - -117506.73136087548, - 616.700065092766 - ] - }, - { - "identifier": { - "cas": "95-52-3", - "name": "2-fluorotoluene", - "iupac_name": "1-fluoro-2-methylbenzene", - "formula": "C7H7F", - "smiles": "CC1=CC=CC=C1F", - "inchi": "InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "DIPPR107": [ - 52159.480926864264, - 289841.95314263034, - 493.9629336444437, - -195391.4667597542, - 571.1489717345931 - ] - }, - { - "identifier": { - "cas": "95-53-4", - "name": "o-toluidine", - "iupac_name": "2-methylaniline", - "formula": "C7H9N", - "smiles": "CC1=CC=CC=C1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "DIPPR107": [ - 42279.503870763576, - 316430.42806280445, - 383.6840083725261, - -248725.62116706127, - 462.2665452647733 - ] - }, - { - "identifier": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "formula": "C9H12", - "smiles": "CC1=CC(=C(C=C1)C)C", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "DIPPR107": [ - 51393.51610964036, - 407080.56911973073, - 440.69771599928725, - -309976.05566248135, - 544.8179494211763 - ] - }, - { - "identifier": { - "cas": "95-65-8", - "name": "3,4-dimethylphenol", - "iupac_name": "3,4-dimethylphenol", - "formula": "C8H10O", - "smiles": "CC1=C(C=C(C=C1)O)C", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" - }, - "DIPPR107": [ - 39643.376745516834, - 357568.9673109194, - 298.6533591106152, - -319184.40399374627, - 381.4257732636862 - ] - }, - { - "identifier": { - "cas": "95-77-2", - "name": "3,4-dichlorophenol", - "iupac_name": "3,4-dichlorophenol", - "formula": "C6H4Cl2O", - "smiles": "C1=CC(=C(C=C1O)Cl)Cl", - "inchi": "InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H" - }, - "DIPPR107": [ - 50334.144122841535, - 251120.0138722044, - 512.997745832558, - -92303.29371349484, - 704.3100420034853 - ] - }, - { - "identifier": { - "cas": "95-87-4", - "name": "2,5-dimethylphenol", - "iupac_name": "2,5-dimethylphenol", - "formula": "C8H10O", - "smiles": "CC1=CC(=C(C=C1)C)O", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3" - }, - "DIPPR107": [ - 44161.33008968118, - 351955.73463172157, - 293.1600086459055, - -340276.0985893001, - 375.5555880817896 - ] - }, - { - "identifier": { - "cas": "95-93-2", - "name": "1,2,4,5-tetramethylbenzene", - "iupac_name": "1,2,4,5-tetramethylbenzene", - "formula": "C10H14", - "smiles": "CC1=CC(=C(C=C1C)C)C", - "inchi": "InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3" - }, - "DIPPR107": [ - 57733.75527167907, - 462349.61865247705, - 414.3410418410545, - -363817.59003446385, - 530.0227962574996 - ] - }, - { - "identifier": { - "cas": "95-94-3", - "name": "1,2,4,5-tetrachlorobenzene", - "iupac_name": "1,2,4,5-tetrachlorobenzene", - "formula": "C6H2Cl4", - "smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)Cl", - "inchi": "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H" - }, - "DIPPR107": [ - 65741.53531849511, - 205991.62164360104, - 382.4206771087708, - -107546.46668224246, - 455.6635128829694 - ] - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "formula": "C6H14", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "DIPPR107": [ - 65258.703097038975, - 330835.034310176, - 370.69124599191895, - -305916.6101024735, - 461.7995172102611 - ] - }, - { - "identifier": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "formula": "C6H12", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "DIPPR107": [ - 49874.84884002118, - 355459.27891480515, - 632.4767814013098, - -183325.04313634147, - 712.9222581291683 - ] - }, - { - "identifier": { - "cas": "96-43-5", - "name": "2-chlorothiophene", - "iupac_name": "2-chlorothiophene", - "formula": "C4H3ClS", - "smiles": "C1=CSC(=C1)Cl", - "inchi": "InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H" - }, - "DIPPR107": [ - 40737.05798588771, - 155720.3433450759, - 434.2587767906777, - -85836.48086887404, - 485.2185242250353 - ] - }, - { - "identifier": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "formula": "C4H6O2", - "smiles": "C1CC(=O)OC1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "DIPPR107": [ - 43447.851844921075, - 218763.37423730706, - 506.10612841792846, - -141149.30972781277, - 540.3982433649834 - ] - }, - { - "identifier": { - "cas": "96-50-4", - "name": "2-aminothiazole", - "iupac_name": "1,3-thiazol-2-amine", - "formula": "C3H4N2S", - "smiles": "C1=CSC(=N1)N", - "inchi": "InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)" - }, - "DIPPR107": [ - 44418.91620963927, - 175407.86615423494, - 555.0905640865291, - -69248.2955209265, - 646.0229889334795 - ] - }, - { - "identifier": { - "cas": "96-54-8", - "name": "1-methylpyrrole", - "iupac_name": "1-methylpyrrole", - "formula": "C5H7N", - "smiles": "CN1C=CC=C1", - "inchi": "InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3" - }, - "DIPPR107": [ - 39784.288608331764, - 237016.9151800623, - 447.5182488377148, - -180480.31205509653, - 493.8416695871117 - ] - }, - { - "identifier": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "formula": "C5H4O2", - "smiles": "C1=COC(=C1)C=O", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "DIPPR107": [ - 45830.407633845854, - 196938.77170519982, - 450.35019450287626, - -119621.69188946814, - 491.6807704111041 - ] - }, - { - "identifier": { - "cas": "98-08-8", - "name": "benzotrifluoride", - "iupac_name": "trifluoromethylbenzene", - "formula": "C7H5F3", - "smiles": "C1=CC=C(C=C1)C(F)(F)F", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "DIPPR107": [ - 51971.191798154956, - 298242.7449059238, - 534.7474567546465, - -131281.4856660184, - 626.3361492856944 - ] - }, - { - "identifier": { - "cas": "98-13-5", - "name": "trichloro(phenyl)silane", - "iupac_name": "trichloro(phenyl)silane", - "formula": "C6H5Cl3Si", - "smiles": "C1=CC=C(C=C1)[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H" - }, - "DIPPR107": [ - 76232.64678043827, - 268515.8736496223, - 525.873385913651, - -105156.1437864212, - 674.821896483574 - ] - }, - { - "identifier": { - "cas": "98-82-8", - "name": "cumene", - "iupac_name": "cumene", - "formula": "C9H12", - "smiles": "CC(C)C1=CC=CC=C1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "DIPPR107": [ - 60656.59660915568, - 415831.2032770275, - 589.7361354799268, - -203933.6298465186, - 711.3350388251906 - ] - }, - { - "identifier": { - "cas": "98-83-9", - "name": "alpha-methylstyrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "formula": "C9H10", - "smiles": "CC(=C)C1=CC=CC=C1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "DIPPR107": [ - 57286.91205273227, - 375775.3020662132, - 564.1129349408203, - -197687.10208104504, - 691.490839278181 - ] - }, - { - "identifier": { - "cas": "99-65-0", - "name": "1,3-dinitrobenzene", - "iupac_name": "1,3-dinitrobenzene", - "formula": "C6H4N2O4", - "smiles": "C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]", - "inchi": "InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H" - }, - "DIPPR107": [ - 55660.29156241827, - 305304.12155254843, - 413.9036871762977, - -180137.47692949823, - 472.5760491099391 - ] - }, - { - "identifier": { - "cas": "992-94-9", - "name": "992-94-9", - "iupac_name": "methylsilane", - "formula": "CH6Si", - "smiles": "C[SiH3]", - "inchi": "InChI=1S/CH6Si/c1-2/h1-2H3" - }, - "DIPPR107": [ - 32525.085081747395, - 140286.936435834, - 553.0301764043825, - -80418.38819336775, - 693.8521899134622 - ] - }, - { - "identifier": { - "cas": "993-00-0", - "name": "chloromethyl-silane", - "iupac_name": "chloro(methyl)silane", - "formula": "CH5ClSi", - "smiles": "C[SiH2]Cl", - "inchi": "InChI=1S/CH5ClSi/c1-3-2/h3H2,1H3" - }, - "DIPPR107": [ - 39448.87162624037, - 132011.66069670013, - 523.9711008450611, - -67782.56650354588, - 684.6564923792586 - ] - }, - { - "identifier": { - "cas": "10022-50-1", - "name": "nitryl fluoride", - "iupac_name": "nitryl fluoride", - "formula": "FNO2", - "smiles": "O=N(=O)F", - "inchi": "InChI=1S/FNO2/c1-2(3)4" - }, - "DIPPR107": [ - 35246.5417795949, - 47767.95435852145, - 1043.8355205094765, - 33379.396792019455, - 491.1354541937442 - ] - }, - { - "identifier": { - "cas": "6928-45-6", - "name": "", - "iupac_name": "", - "formula": "C2H2Br2", - "smiles": "BrC=CBr", - "inchi": "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-/i1D,2D" - }, - "DIPPR107": [ - 41434.70472948246, - 87262.72004383204, - 426.30368376624654, - -36065.821504308165, - 533.2223230352424 - ] - } -] \ No newline at end of file diff --git a/parameters/ideal_gas/joback1987.json b/parameters/ideal_gas/joback1987.json deleted file mode 100644 index cf515f54a..000000000 --- a/parameters/ideal_gas/joback1987.json +++ /dev/null @@ -1,200 +0,0 @@ -[ - { - "identifier": "CH3", - "molarweight": 15.0345, - "a": 19.5, - "b": -0.00808, - "c": 0.000153, - "d": -9.67e-08, - "e": 0.0 - }, - { - "identifier": "CH2", - "molarweight": 14.02658, - "a": -0.909, - "b": 0.095, - "c": -5.44e-05, - "d": 1.19e-08, - "e": 0.0 - }, - { - "identifier": ">CH", - "molarweight": 13.01854, - "a": -23.0, - "b": 0.204, - "c": -0.000265, - "d": 1.2e-07, - "e": 0.0 - }, - { - "identifier": ">C<", - "molarweight": 12.0107, - "a": -66.2, - "b": 0.427, - "c": -0.000641, - "d": 3.01e-07, - "e": 0.0 - }, - { - "identifier": "=CH2", - "molarweight": 14.02658, - "a": 23.6, - "b": -0.0381, - "c": 0.000172, - "d": -1.03e-07, - "e": 0.0 - }, - { - "identifier": "=CH", - "molarweight": 13.01854, - "a": -8.0, - "b": 0.105, - "c": -9.63e-05, - "d": 3.56e-08, - "e": 0.0 - }, - { - "identifier": "=C<", - "molarweight": 12.0107, - "a": -28.0, - "b": 0.208, - "c": -0.000306, - "d": 1.46e-07, - "e": 0.0 - }, - { - "identifier": "C≡CH", - "molarweight": 25.02924, - "a": 32.37, - "b": -0.006999999999999999, - "c": 0.00010267, - "d": -6.641e-08, - "e": 0.0 - }, - { - "identifier": "CH2_hex", - "molarweight": 14.02658, - "a": -6.03, - "b": 0.0854, - "c": -8e-06, - "d": -1.8e-08, - "e": 0.0 - }, - { - "identifier": "CH_hex", - "molarweight": 13.01854, - "a": -20.5, - "b": 0.162, - "c": -0.00016, - "d": 6.24e-08, - "e": 0.0 - }, - { - "identifier": "CH2_pent", - "molarweight": 14.02658, - "a": -6.03, - "b": 0.0854, - "c": -8e-06, - "d": -1.8e-08, - "e": 0.0 - }, - { - "identifier": "CH_pent", - "molarweight": 13.01854, - "a": -20.5, - "b": 0.162, - "c": -0.00016, - "d": 6.24e-08, - "e": 0.0 - }, - { - "identifier": "CH_arom", - "molarweight": 13.01854, - "a": -2.14, - "b": 0.0574, - "c": -1.64e-06, - "d": -1.59e-08, - "e": 0.0 - }, - { - "identifier": "C_arom", - "molarweight": 12.0107, - "a": -8.25, - "b": 0.101, - "c": -0.000142, - "d": 6.78e-08, - "e": 0.0 - }, - { - "identifier": "CH=O", - "molarweight": 29.01754, - "a": 30.9, - "b": -0.0336, - "c": 0.00016, - "d": -9.88e-08, - "e": 0.0 - }, - { - "identifier": ">C=O", - "molarweight": 28.0097, - "a": 6.45, - "b": 0.067, - "c": -3.57e-05, - "d": 2.86e-09, - "e": 0.0 - }, - { - "identifier": "OCH3", - "molarweight": 31.03322, - "a": 45.0, - "b": -0.07128000000000001, - "c": 0.000264, - "d": -1.515e-07, - "e": 0.0 - }, - { - "identifier": "OCH2", - "molarweight": 30.02538, - "a": 24.591, - "b": 0.031799999999999995, - "c": 5.66e-05, - "d": -4.29e-08, - "e": 0.0 - }, - { - "identifier": "HCOO", - "molarweight": 45.01654, - "a": 24.1, - "b": 0.0427, - "c": 8.04e-05, - "d": -6.87e-08, - "e": 0.0 - }, - { - "identifier": "COO", - "molarweight": 44.0087, - "a": 24.5, - "b": 0.0402, - "c": 4.02e-05, - "d": -4.52e-08, - "e": 0.0 - }, - { - "identifier": "OH", - "molarweight": 17.00734, - "a": 25.7, - "b": -0.0691, - "c": 0.000177, - "d": -9.88e-08, - "e": 0.0 - }, - { - "identifier": "NH2", - "molarweight": 16.02238, - "a": 26.9, - "b": -0.0412, - "c": 0.000164, - "d": -9.76e-08, - "e": 0.0 - } -] \ No newline at end of file diff --git a/parameters/ideal_gas/literature.bib b/parameters/ideal_gas/literature.bib deleted file mode 100644 index f94740b53..000000000 --- a/parameters/ideal_gas/literature.bib +++ /dev/null @@ -1,34 +0,0 @@ -@article{Joback1987Jul, - author = {Joback, K. G. and Reid, R. C.}, - title = {{ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS}}, - doi = {10.1080/00986448708960487}, - issn = {0098-6445}, - journal = {Chem. Eng. Commun.}, - month = jul, - number = {1-6}, - pages = {233--243}, - publisher = {Taylor {\&} Francis}, - volume = {57}, - year = {1987} -} - -@book{poling2000, - author = {Poling, B.E. and Prausnitz, J.M. and O'Connell, J.P.}, - title = {The Properties of Gases and Liquids 5E}, - isbn = {9780071499996}, - lccn = {00061622}, - publisher = {McGraw Hill LLC}, - series = {McGraw Hill professional}, - year = {2000} -} - -@article{burkhardt2025, - author = {Burkhardt, Julia and Bauer, Gernot and Stierle, Rolf and Gross, Joachim}, - title = {{A New Group-Contribution Approach for Ideal Gas Heat Capacity, Critical Temperature and Normal Boiling Point}}, - doi = {10.1021/acs.jced.5c00573}, - journal = {Journal of Chemical \& Engineering Data}, - number = {1}, - pages = {6--23}, - volume = {71}, - year = {2026} -} diff --git a/parameters/ideal_gas/poling2000.json b/parameters/ideal_gas/poling2000.json deleted file mode 100644 index fb7929d50..000000000 --- a/parameters/ideal_gas/poling2000.json +++ /dev/null @@ -1,3977 +0,0 @@ -[ - { - "identifier": { - "cas": "56-23-5", - "name": "tetrachloromethane" - }, - "DIPPR100": [ - 20935.81687250985, - 348.226323373494, - -0.5953155234597719, - 0.00047716700965581436, - -1.4600196357477087e-07 - ] - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether" - }, - "DIPPR100": [ - 38346.301594922734, - 311.72583247980117, - -0.15548045095946555, - 0.00010941832805489662, - -5.80349490747096e-08 - ] - }, - { - "identifier": { - "cas": "62-53-3", - "name": "benzeneamine (aniline)" - }, - "DIPPR100": [ - 21600.973881962113, - 165.75712675550295, - 0.7015743557197702, - -0.0011114773627947249, - 4.6810424540202736e-07 - ] - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol" - }, - "DIPPR100": [ - 36550.377669401634, - 5.221482524200233, - 0.4611200968027786, - -0.0005840078542990835, - 2.2324332129741445e-07 - ] - }, - { - "identifier": { - "cas": "64-18-6", - "name": "methanoic acid (formic acid)" - }, - "DIPPR100": [ - 31669.788112545688, - 13.037077385264277, - 0.29823977411315666, - -0.0003666678014605578, - 1.3901781497552215e-07 - ] - }, - { - "identifier": { - "cas": "64-19-7", - "name": "ethanoic acid (acetic acid)" - }, - "DIPPR100": [ - 36375.773954420416, - -19.92976689571331, - 0.5618082391086143, - -0.0007286795038549498, - 2.8917700985936967e-07 - ] - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol" - }, - "DIPPR100": [ - 39194.376781974366, - -58.08483585041852, - 0.35012202085043287, - -0.0003694115741245484, - 1.2762700118865222e-07 - ] - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol" - }, - "DIPPR100": [ - 27720.4183689229, - 156.75256374004303, - 0.30297901780550396, - -0.0005084293891000705, - 2.1143678437963686e-07 - ] - }, - { - "identifier": { - "cas": "67-64-1", - "name": "propanone (acetone)" - }, - "DIPPR100": [ - 42619.9353806535, - 12.563153016029544, - 0.4765018526463621, - -0.000596728982104858, - 2.2681854022322033e-07 - ] - }, - { - "identifier": { - "cas": "67-66-3", - "name": "trichloromethane" - }, - "DIPPR100": [ - 19863.251194768087, - 217.98858092274162, - -0.26148984934091934, - 0.00015439957081910563, - -3.5170176874788205e-08 - ] - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol" - }, - "DIPPR100": [ - 39177.74785673806, - 54.584447088176006, - 0.5246425912054694, - -0.0006935093269801616, - 2.6739311779980815e-07 - ] - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol" - }, - "DIPPR100": [ - 37140.70451529051, - 136.31561462462236, - 0.5560712599020886, - -0.0008056714276990488, - 3.2127083556544116e-07 - ] - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol" - }, - "DIPPR100": [ - 45978.97827838741, - 140.40633023275373, - 0.7840538248918504, - -0.001141159994341532, - 4.661919189998521e-07 - ] - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene" - }, - "DIPPR100": [ - 29524.656757062152, - -51.41663683065963, - 1.1943725550977127, - -0.001646845610777612, - 6.846128519787377e-07 - ] - }, - { - "identifier": { - "cas": "74-82-8", - "name": "methane" - }, - "DIPPR100": [ - 37980.46523972399, - -74.62230199792532, - 0.3018981376651441, - -0.00028327374140048084, - 9.071078716405182e-08 - ] - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane" - }, - "DIPPR100": [ - 34737.82481864423, - -36.80812601056439, - 0.4705985841874733, - -0.000552994908733372, - 2.0678068531347104e-07 - ] - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethene (ethylene)" - }, - "DIPPR100": [ - 35095.34671122482, - -73.01761071262175, - 0.48182310872198014, - -0.0005594801895755315, - 2.0877615634182782e-07 - ] - }, - { - "identifier": { - "cas": "74-86-2", - "name": "ethyne (acetylene)" - }, - "DIPPR100": [ - 20037.854909749305, - 90.84381856594229, - -0.02120187967629076, - -6.568425468341058e-05, - 4.356778411912297e-08 - ] - }, - { - "identifier": { - "cas": "74-87-3", - "name": "chloromethane" - }, - "DIPPR100": [ - 29749.147247752288, - -14.550309581768168, - 0.255337147003486, - -0.00030879914163821126, - 1.1706763366359759e-07 - ] - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methanamine (methyl amine)" - }, - "DIPPR100": [ - 34862.54175791652, - -17.643289675721174, - 0.3358211451472093, - -0.0003939392388481004, - 1.455862404438632e-07 - ] - }, - { - "identifier": { - "cas": "74-93-1", - "name": "methanethiol (methyl mercaptan)" - }, - "DIPPR100": [ - 34247.271524173186, - 10.916889417635202, - 0.21542772643635041, - -0.000267060539295082, - 1.0043870842729112e-07 - ] - }, - { - "identifier": { - "cas": "74-96-4", - "name": "bromoethane" - }, - "DIPPR100": [ - 30231.386079605178, - 57.045528023149366, - 0.31170920355456494, - -0.00045280563418462536, - 1.8549566101099875e-07 - ] - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane" - }, - "DIPPR100": [ - 31985.73769203551, - 42.66150769374427, - 0.4997823479771912, - -0.0006562605344508351, - 2.5600230401293817e-07 - ] - }, - { - "identifier": { - "cas": "74-99-7", - "name": "1-propyne (methyl acetylene)" - }, - "DIPPR100": [ - 26257.072948127927, - 101.51958856765104, - 0.0970297787538483, - -0.000192562954236429, - 8.331091543389545e-08 - ] - }, - { - "identifier": { - "cas": "75-00-3", - "name": "chloroethane" - }, - "DIPPR100": [ - 25184.50727038616, - 82.18846298044475, - 0.24669010588060658, - -0.00037830804912597233, - 1.555635955856471e-07 - ] - }, - { - "identifier": { - "cas": "75-04-7", - "name": "ethanamine (ethyl amine)" - }, - "DIPPR100": [ - 38579.10654823102, - 17.202623156959053, - 0.48198939797434326, - -0.0006368046919243565, - 2.5300909747040305e-07 - ] - }, - { - "identifier": { - "cas": "75-08-1", - "name": "ethanethiol (ethyl mercaptan)" - }, - "DIPPR100": [ - 32376.51743508871, - 107.6806053677026, - 0.17061277292450444, - -0.000273296386258697, - 1.090857495501705e-07 - ] - }, - { - "identifier": { - "cas": "75-09-2", - "name": "dichloromethane" - }, - "DIPPR100": [ - 22532.193695195278, - 96.12350232846958, - 0.026938858882816493, - -0.00011390813786869937, - 5.504174253217444e-08 - ] - }, - { - "identifier": { - "cas": "75-10-5", - "name": "difluoromethane" - }, - "DIPPR100": [ - 34505.01986533594, - -46.42795925976769, - 0.364506041179838, - -0.0004290262710967071, - 1.5963768226854216e-07 - ] - }, - { - "identifier": { - "cas": "75-18-3", - "name": "2-thiapropane (dimethylsulfide)" - }, - "DIPPR100": [ - 29391.625355171698, - 145.75252969622628, - 0.0495541972041933, - -0.00013569202992826085, - 5.7868659822346543e-08 - ] - }, - { - "identifier": { - "cas": "75-19-4", - "name": "cyclopropane" - }, - "DIPPR100": [ - 37356.8805433625, - -150.46683000071914, - 1.0595951160574488, - -0.0013343881055874133, - 5.342873678425272e-07 - ] - }, - { - "identifier": { - "cas": "75-28-5", - "name": "2-methylpropane (isobutane)" - }, - "DIPPR100": [ - 27861.764233431502, - 148.68753500043437, - 0.4553831175962529, - -0.0006734714720704123, - 2.696380227067095e-07 - ] - }, - { - "identifier": { - "cas": "75-31-0", - "name": "2-propanamine (methyl ethyl amine)" - }, - "DIPPR100": [ - 30206.442691750715, - 184.75567383798312, - 0.2572494734056612, - -0.0004469023657257366, - 1.8591138414190641e-07 - ] - }, - { - "identifier": { - "cas": "75-34-3", - "name": "1,1-dichloroethane" - }, - "DIPPR100": [ - 21700.74743337995, - 206.63933944896243, - -0.05612262267253436, - -8.605468809788602e-05, - 5.346199463472532e-08 - ] - }, - { - "identifier": { - "cas": "75-37-6", - "name": "1,1-difluoroethane (R-152a)" - }, - "DIPPR100": [ - 27371.21093896046, - 97.6866213006824, - 0.23571501522464433, - -0.00038620678861321796, - 1.6138371941835436e-07 - ] - }, - { - "identifier": { - "cas": "75-38-7", - "name": "1,1-difluoroethene" - }, - "DIPPR100": [ - 6227.5325009967755, - 222.46176181130804, - -0.15839051287581918, - 2.0370433414475435e-05, - 1.6961503741032608e-08 - ] - }, - { - "identifier": { - "cas": "75-43-4", - "name": "dichlorofluoromethane" - }, - "DIPPR100": [ - 24519.350260933898, - 142.42674464896498, - -0.05229796986818387, - -6.82617380950381e-05, - 4.764187080201806e-08 - ] - }, - { - "identifier": { - "cas": "75-45-6", - "name": "chlorodifluoromethane (R-22)" - }, - "DIPPR100": [ - 26306.959723836848, - 86.65332940639306, - 0.09802751426802668, - -0.0002203332593810608, - 1.0160273319383257e-07 - ] - }, - { - "identifier": { - "cas": "75-46-7", - "name": "trifluoromethane (R-23)" - }, - "DIPPR100": [ - 28684.896032628676, - 28.934329911173272, - 0.25043161405877556, - -0.00037015987576018215, - 1.5248724441693041e-07 - ] - }, - { - "identifier": { - "cas": "75-50-3", - "name": "N, N-dimethylmethanamine (trimethyl amine)" - }, - "DIPPR100": [ - 13802.007946134376, - 231.9651925838572, - 0.20927502409891702, - -0.0004240375935258152, - 1.8208673133755593e-07 - ] - }, - { - "identifier": { - "cas": "75-52-5", - "name": "nitromethane" - }, - "DIPPR100": [ - 34887.48514577099, - -9.162537805204868, - 0.42885998184434404, - -0.0005588150325660792, - 2.2116470564287614e-07 - ] - }, - { - "identifier": { - "cas": "75-61-6", - "name": "dibromodifluoromethane" - }, - "DIPPR100": [ - 20586.60944254742, - 300.2768174546042, - -0.47109745194456254, - 0.00036317572716093344, - -1.1008348506434887e-07 - ] - }, - { - "identifier": { - "cas": "75-63-8", - "name": "bromotrifluoromethane" - }, - "DIPPR100": [ - 16288.032268962195, - 255.99398955032007, - -0.3144529762185555, - 0.0001859113841419064, - -4.2819482483489175e-08 - ] - }, - { - "identifier": { - "cas": "75-65-0", - "name": "2-methyl-2-propanol (tert-butanol)" - }, - "DIPPR100": [ - 21709.061895998108, - 299.7530063096606, - 0.12613039791738465, - -0.0003625105701514812, - 1.6188258717544353e-07 - ] - }, - { - "identifier": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane" - }, - "DIPPR100": [ - 19439.21360124227, - 247.69615585740314, - -0.08713556823824593, - -0.00011108122057852726, - 7.707506847028053e-08 - ] - }, - { - "identifier": { - "cas": "75-69-4", - "name": "trichlorofluoromethane (R-11)" - }, - "DIPPR100": [ - 17377.226871940267, - 323.34945121997947, - -0.5054361825575353, - 0.00037764289211652006, - -1.0941832805489662e-07 - ] - }, - { - "identifier": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane (R-12)" - }, - "DIPPR100": [ - 18167.100820664826, - 259.83527127990686, - -0.3096305879000266, - 0.0001604691285303575, - -2.6855714256634963e-08 - ] - }, - { - "identifier": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane" - }, - "DIPPR100": [ - 19696.961942405025, - 198.39139253175443, - -0.13128536474063962, - -3.0430933182440855e-05, - 4.39003626238491e-08 - ] - }, - { - "identifier": { - "cas": "75-73-0", - "name": "tetrafluoromethane" - }, - "DIPPR100": [ - 21975.124699779008, - 127.90137845505127, - 0.07067293225430253, - -0.0002444452009737052, - 1.2213945586067107e-07 - ] - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane" - }, - "DIPPR100": [ - 25001.589092786788, - 324.75459540244736, - 0.4033345816066136, - -0.0006853611536143714, - 2.7994795635321953e-07 - ] - }, - { - "identifier": { - "cas": "75-85-4", - "name": "2-methyl-2-butanol" - }, - "DIPPR100": [ - 35602.52893093217, - 226.55247741943944, - 0.5528286194810088, - -0.0008882340414973105, - 3.719890575361759e-07 - ] - }, - { - "identifier": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2- trifluoroethane" - }, - "DIPPR100": [ - 17734.748764520857, - 525.7899870467745, - -0.7413174870345427, - 0.0005105080047546088, - -1.39932405863519e-07 - ] - }, - { - "identifier": { - "cas": "76-14-2", - "name": "1,2-dichloro-1,1,2,2- tetrafluoroethane" - }, - "DIPPR100": [ - 20994.018110836925, - 446.0210326882123, - -0.4798276376936234, - 0.0002009605614807638, - -1.6545780610124943e-08 - ] - }, - { - "identifier": { - "cas": "76-15-3", - "name": "1-chloro-1,1,2,2,2- pentafluoroethane" - }, - "DIPPR100": [ - 19580.559465750877, - 419.6226138755758, - -0.428693692591981, - 0.00016969818203650759, - -1.1557103039233001e-08 - ] - }, - { - "identifier": { - "cas": "76-16-4", - "name": "hexafluoroethane" - }, - "DIPPR100": [ - 20994.018110836925, - 362.03664578224647, - -0.24511035798315747, - -5.23811144943654e-05, - 8.040085351754182e-08 - ] - }, - { - "identifier": { - "cas": "76-19-7", - "name": "octafluoropropane (R-218)" - }, - "DIPPR100": [ - 13344.712502135948, - 635.9566167373049, - -0.7239402601626025, - 0.00037747660286415705, - -7.117180001139173e-08 - ] - }, - { - "identifier": { - "cas": "78-78-4", - "name": "2-methylbutane" - }, - "DIPPR100": [ - 16288.032268962195, - 317.53764184989035, - 0.20237402012584982, - -0.0004302734404894301, - 1.8000811568301762e-07 - ] - }, - { - "identifier": { - "cas": "78-81-9", - "name": "2-methyl-1-propanamine (isobutyl amine)" - }, - "DIPPR100": [ - 3159.4957948982305, - 440.8910092528118, - -0.2025403093782129, - 1.7210937619577204e-05, - 3.1594957948982304e-09 - ] - }, - { - "identifier": { - "cas": "78-86-4", - "name": "2-chlorobutane" - }, - "DIPPR100": [ - 36999.35865078191, - 185.28779944554492, - 0.3616791238896659, - -0.0005998884778997561, - 2.5068104793732015e-07 - ] - }, - { - "identifier": { - "cas": "78-87-5", - "name": "1,2-dichloropropane" - }, - "DIPPR100": [ - 14109.643063006046, - 337.4175219698947, - -0.18682597502990328, - -3.1594957948982303e-06, - 3.1345524070437713e-08 - ] - }, - { - "identifier": { - "cas": "78-92-2", - "name": "2-butanol (sec-butanol)" - }, - "DIPPR100": [ - 32093.8257060715, - 237.46936683707463, - 0.22681854022322034, - -0.0004273633785730764, - 1.7601717362630405e-07 - ] - }, - { - "identifier": { - "cas": "78-93-3", - "name": "butanone (methyl ethyl ketone)" - }, - "DIPPR100": [ - 52788.523162654914, - 91.97458548201114, - 0.4033345816066136, - -0.000539109756161056, - 2.0528408204220348e-07 - ] - }, - { - "identifier": { - "cas": "79-20-9", - "name": "methyl ethanoate (methyl acetate)" - }, - "DIPPR100": [ - 35269.950426206036, - 119.6284881499888, - 0.2775367621939551, - -0.00040990300707495464, - 1.6055227315653903e-07 - ] - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane" - }, - "DIPPR100": [ - -18408.22023659127, - 618.1969245849295, - -0.30738568299312524, - 2.269848294755834e-05, - 2.5608544863911973e-08 - ] - }, - { - "identifier": { - "cas": "85-01-8", - "name": "phenanthrene" - }, - "DIPPR100": [ - 19738.53425549579, - 319.0425595837761, - 1.3694751378360197, - -0.002229356861805428, - 9.67803448753037e-07 - ] - }, - { - "identifier": { - "cas": "90-00-6", - "name": "2-ethylphenol" - }, - "DIPPR100": [ - -19888.194582622546, - 685.7103610443339, - -0.37215534678853895, - -3.608476776278506e-05, - 7.399871730156383e-08 - ] - }, - { - "identifier": { - "cas": "90-12-0", - "name": "1-methylnaphthalene" - }, - "DIPPR100": [ - -46868.6257785298, - 820.0138757153632, - -0.4120647673556745, - -8.588839884552296e-05, - 1.0650826613854299e-07 - ] - }, - { - "identifier": { - "cas": "91-20-3", - "name": "naphthalene" - }, - "DIPPR100": [ - 24020.482503844705, - 118.94670221530022, - 1.3284848371285243, - -0.0019896509045240697, - 8.458302821447289e-07 - ] - }, - { - "identifier": { - "cas": "91-57-6", - "name": "2-methylnaphthalene" - }, - "DIPPR100": [ - -38836.85488939378, - 780.5783795174623, - -0.3603488098707614, - -0.00011066549744761961, - 1.0950147268107815e-07 - ] - }, - { - "identifier": { - "cas": "92-52-4", - "name": "1,1⬘-biphenyl" - }, - "DIPPR100": [ - -7009.09198710318, - 510.44148905366364, - 0.5281346655050937, - -0.0011435711885007965, - 5.129191989138732e-07 - ] - }, - { - "identifier": { - "cas": "95-47-6", - "name": "1,2-dimethylbenzene (o-xylene)" - }, - "DIPPR100": [ - 27346.267551106004, - 283.8890116342242, - 0.41480854001966505, - -0.0006930104592230724, - 2.775367621939551e-07 - ] - }, - { - "identifier": { - "cas": "95-48-7", - "name": "2-methylphenol (o-cresol)" - }, - "DIPPR100": [ - 25966.066756492564, - 258.0144039665313, - 0.5115057402687871, - -0.0008983776858914575, - 3.859573547346733e-07 - ] - }, - { - "identifier": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene" - }, - "DIPPR100": [ - 44224.626665957076, - 166.90452259680814, - 1.0005624314685608, - -0.0014028992775609959, - 5.55988115275907e-07 - ] - }, - { - "identifier": { - "cas": "95-65-8", - "name": "3,4-dimethylphenol (3,4 xylenol)" - }, - "DIPPR100": [ - 11698.448903741606, - 564.1030307912247, - -0.11182952221416106, - -0.0002826917290172101, - 1.6229831030635122e-07 - ] - }, - { - "identifier": { - "cas": "95-87-4", - "name": "2,5-dimethylphenol (2,5 xylenol)" - }, - "DIPPR100": [ - 25009.90355540494, - 419.93856345506566, - 0.24610809349733587, - -0.0006275756384182064, - 2.78617642334315e-07 - ] - }, - { - "identifier": { - "cas": "95-93-2", - "name": "1,2,4,5-tetramethylbenzene" - }, - "DIPPR100": [ - 27870.078696049655, - 560.1952333606927, - 0.04381721799766757, - -0.0004059952096444226, - 1.9040119395570915e-07 - ] - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane" - }, - "DIPPR100": [ - 3600.162313660352, - 92.64805695408154, - 0.06069557711251865, - -0.0001340291374046302, - 5.736979206525735e-08 - ] - }, - { - "identifier": { - "cas": "96-22-0", - "name": "3-pentanone (diethyl ketone)" - }, - "DIPPR100": [ - 67106.02779111479, - 113.52567258826431, - 0.5088451122309782, - -0.0006931767484754355, - 2.704694689685249e-07 - ] - }, - { - "identifier": { - "cas": "96-37-7", - "name": "methylcyclopentane" - }, - "DIPPR100": [ - 44723.494423046264, - -68.66083230070944, - 1.4378200205572396, - -0.00179974857832545, - 6.870240461380021e-07 - ] - }, - { - "identifier": { - "cas": "96-41-3", - "name": "cyclopentanol" - }, - "DIPPR100": [ - 36334.20164132965, - 47.58366956369098, - 1.1105627719067281, - -0.0015591280301560952, - 6.4295739426179e-07 - ] - }, - { - "identifier": { - "cas": "98-82-8", - "name": "1-methylethylbenzene (cumene)" - }, - "DIPPR100": [ - 24818.670915187417, - 284.3213636903681, - 0.9925805473551336, - -0.0016755305068102406, - 7.418994994178134e-07 - ] - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene" - }, - "DIPPR100": [ - 37780.918136888315, - 87.95038557482496, - 1.1344252796208278, - -0.0016026958142752181, - 6.555953774413829e-07 - ] - }, - { - "identifier": { - "cas": "102-25-0", - "name": "1,3,5-triethylbenzene" - }, - "DIPPR100": [ - 10966.776193344122, - 729.9349877102909, - 0.11690134441123452, - -0.0006387170183265317, - 2.989049311226089e-07 - ] - }, - { - "identifier": { - "cas": "103-65-1", - "name": "propylbenzene" - }, - "DIPPR100": [ - 39568.52759979126, - 199.181266480479, - 0.9860121218867925, - -0.0014461344831753927, - 5.873336393463448e-07 - ] - }, - { - "identifier": { - "cas": "104-51-8", - "name": "butylbenzene" - }, - "DIPPR100": [ - 53960.86239181452, - 158.6399467543638, - 1.302460569133705, - -0.0018340873089384229, - 7.389062928752783e-07 - ] - }, - { - "identifier": { - "cas": "105-05-5", - "name": "1,4-diethylbenzene" - }, - "DIPPR100": [ - -2984.8920799170123, - 626.6693619928277, - 0.03674992477223731, - -0.00047691757577726976, - 2.3139149466320462e-07 - ] - }, - { - "identifier": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol (2,4 xylenol)" - }, - "DIPPR100": [ - 31195.86374331095, - 347.02904075647984, - 0.48340285661942933, - -0.0009239030861291879, - 4.0366716011133976e-07 - ] - }, - { - "identifier": { - "cas": "106-42-3", - "name": "1,4-dimethylbenzene (p-xylene)" - }, - "DIPPR100": [ - 34197.384748464276, - 123.96032317404664, - 0.9819380352038974, - -0.0013905107282599478, - 5.600622019588022e-07 - ] - }, - { - "identifier": { - "cas": "106-44-5", - "name": "4-methylphenol (p-cresol)" - }, - "DIPPR100": [ - 23953.96680289948, - 227.87447697572583, - 0.6604177657599117, - -0.0011160503172347091, - 4.858140507786937e-07 - ] - }, - { - "identifier": { - "cas": "106-93-4", - "name": "1,2-dibromoethane" - }, - "DIPPR100": [ - 31461.926547091854, - 204.4276923925337, - -0.06235846963614929, - -7.36661387968377e-05, - 4.996992033510096e-08 - ] - }, - { - "identifier": { - "cas": "106-97-8", - "name": "butane" - }, - "DIPPR100": [ - 46120.32414289601, - 46.02886505409633, - 0.6698962531446064, - -0.0008789218433649788, - 3.437198846344549e-07 - ] - }, - { - "identifier": { - "cas": "106-98-9", - "name": "1-butene" - }, - "DIPPR100": [ - 36492.176431074564, - 66.38266954333545, - 0.5107574386331535, - -0.0006817859346885657, - 2.6315274186455e-07 - ] - }, - { - "identifier": { - "cas": "106-99-0", - "name": "1,3-butadiene" - }, - "DIPPR100": [ - 29990.266663678733, - 42.27904241330922, - 0.6861925998761867, - -0.001028582170491737, - 4.4241255591193384e-07 - ] - }, - { - "identifier": { - "cas": "107-00-6", - "name": "1-butyne" - }, - "DIPPR100": [ - 24901.81554136895, - 172.94082245758736, - 0.1297056168431905, - -0.00028784669584046513, - 1.2671241030065536e-07 - ] - }, - { - "identifier": { - "cas": "107-06-2", - "name": "1,2-dichloroethane" - }, - "DIPPR100": [ - 24860.243228278185, - 192.87058935330066, - -0.03359042897733908, - -9.42028614636762e-05, - 5.130023435400548e-08 - ] - }, - { - "identifier": { - "cas": "107-10-8", - "name": "1-propanamine (propyl amine)" - }, - "DIPPR100": [ - 34438.50416439072, - 104.81211576443972, - 0.4548842498391637, - -0.0006255801673898497, - 2.426160191977115e-07 - ] - }, - { - "identifier": { - "cas": "107-18-6", - "name": "2-propen-1-ol (allyl alcohol)" - }, - "DIPPR100": [ - 2061.986729302003, - 290.4906949530378, - -0.14009869511588208, - -1.5963768226854218e-05, - 2.693885888281649e-08 - ] - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl methanoate (methyl formate)" - }, - "DIPPR100": [ - 18932.031381534925, - 149.7684151407943, - 0.09644776637057757, - -0.0002428654530762561, - 1.1158008833561646e-07 - ] - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane" - }, - "DIPPR100": [ - 17427.11364764919, - 385.9490402720552, - 0.25974381219110715, - -0.0005677946521936846, - 2.41285705178807e-07 - ] - }, - { - "identifier": { - "cas": "107-87-9", - "name": "2-pentanone (methyl propyl ketone)" - }, - "DIPPR100": [ - 65152.12907584878, - 75.25420115690495, - 0.6703951209016956, - -0.0009018697601910819, - 3.561084339355032e-07 - ] - }, - { - "identifier": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane" - }, - "DIPPR100": [ - -26049.211382674097, - 814.1771229574196, - -0.5746956561667519, - 0.0002015425738640345, - -2.0786156545383096e-08 - ] - }, - { - "identifier": { - "cas": "108-24-7", - "name": "acetic anhydride" - }, - "DIPPR100": [ - -10592.625375527226, - 417.1532184779843, - -0.12130800959885574, - -0.0001622151656801697, - 1.0343191496982628e-07 - ] - }, - { - "identifier": { - "cas": "108-38-3", - "name": "1,3-dimethylbenzene (m-xylene)" - }, - "DIPPR100": [ - 33274.47939784926, - 145.81073093455333, - 0.880501591262428, - -0.0012502457438917024, - 4.995329140986465e-07 - ] - }, - { - "identifier": { - "cas": "108-39-4", - "name": "3-methylphenol (m-cresol)" - }, - "DIPPR100": [ - 23912.394489808714, - 217.35668176376194, - 0.7103876860950127, - -0.001183813187572658, - 5.14582091437504e-07 - ] - }, - { - "identifier": { - "cas": "108-47-4", - "name": "2,3-dimethylpyridine (2,3 lutidine)" - }, - "DIPPR100": [ - 35128.60456169743, - 111.35559784492632, - 0.9448555319269341, - -0.0013443654607291971, - 5.475073634053907e-07 - ] - }, - { - "identifier": { - "cas": "108-48-5", - "name": "2,5-dimethylpyridine (2,5 lutidine)" - }, - "DIPPR100": [ - 34779.39713173499, - 118.5060356965381, - 0.9333815735138825, - -0.001341372254186662, - 5.49585979059929e-07 - ] - }, - { - "identifier": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene (mesitylene)" - }, - "DIPPR100": [ - 44108.22418930293, - 166.61351640517276, - 0.9649765314628649, - -0.0013566708654040639, - 5.406895040585051e-07 - ] - }, - { - "identifier": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol (3,5 xylenol)" - }, - "DIPPR100": [ - 23854.193251481644, - 359.733539637018, - 0.4906364390972226, - -0.0009535025730498134, - 4.2012979609528315e-07 - ] - }, - { - "identifier": { - "cas": "108-87-2", - "name": "methylcyclohexane" - }, - "DIPPR100": [ - 26173.928321946394, - 153.3020617535094, - 1.1327623870971972, - -0.0015625369598295381, - 6.122770272008046e-07 - ] - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene" - }, - "DIPPR100": [ - 32143.71248178042, - 29.582857995389222, - 1.1104796272805464, - -0.0015513955799212127, - 6.393821753359841e-07 - ] - }, - { - "identifier": { - "cas": "108-90-7", - "name": "chlorobenzene" - }, - "DIPPR100": [ - 864.7041122879367, - 318.34414472385123, - 0.15032548413621055, - -0.00047658499727254363, - 2.2598709396140502e-07 - ] - }, - { - "identifier": { - "cas": "108-93-0", - "name": "cyclohexanol" - }, - "DIPPR100": [ - 26930.544420198337, - 179.46767561283767, - 0.8582188314457773, - -0.001227380971691781, - 4.89306125078318e-07 - ] - }, - { - "identifier": { - "cas": "108-94-1", - "name": "cyclohexanone" - }, - "DIPPR100": [ - 36716.66692176471, - -10.37644934745524, - 1.443972722894673, - -0.0019655389629314257, - 7.977726882118033e-07 - ] - }, - { - "identifier": { - "cas": "108-95-2", - "name": "phenol" - }, - "DIPPR100": [ - 21467.94248007166, - 145.51141028029983, - 0.739488305258549, - -0.00120019267893042, - 5.2522460358874e-07 - ] - }, - { - "identifier": { - "cas": "108-99-6", - "name": "3-methylpyridine (3-picoline)" - }, - "DIPPR100": [ - 34421.875239154404, - 23.114206078466, - 1.0358157529695304, - -0.0014407300824735932, - 5.918234491601475e-07 - ] - }, - { - "identifier": { - "cas": "109-06-8", - "name": "2-methylpyridine (2-picoline)" - }, - "DIPPR100": [ - 34554.90664104486, - 22.44073460639559, - 1.0407212859142407, - -0.0014487119665870204, - 5.955649573383165e-07 - ] - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane" - }, - "DIPPR100": [ - 62807.45061752957, - -3.0597222434803917, - 0.9849312417464327, - -0.0012420975705259123, - 4.783310344223558e-07 - ] - }, - { - "identifier": { - "cas": "109-67-1", - "name": "1-pentene" - }, - "DIPPR100": [ - 42229.1556376003, - 99.10007994576846, - 0.6516875800108509, - -0.000911431392201958, - 3.642566073012934e-07 - ] - }, - { - "identifier": { - "cas": "109-73-9", - "name": "1-butanamine (butyl amine)" - }, - "DIPPR100": [ - 22182.98626523284, - 318.99267280806714, - 0.09561632010876224, - -0.0003173630381349091, - 1.4234360002278346e-07 - ] - }, - { - "identifier": { - "cas": "109-89-7", - "name": "n-ethylethanamine (diethyl amine)" - }, - "DIPPR100": [ - 25176.192807768006, - 269.1640983374748, - 0.2351330028413736, - -0.0004572954439984281, - 1.9123264021752449e-07 - ] - }, - { - "identifier": { - "cas": "109-97-7", - "name": "pyrrole" - }, - "DIPPR100": [ - 29549.600144916607, - -53.42873678425271, - 1.0169419228263228, - -0.0014098834261602447, - 5.899111227579723e-07 - ] - }, - { - "identifier": { - "cas": "109-99-9", - "name": "tetrahydrofuran" - }, - "DIPPR100": [ - 42994.086198470395, - -161.83270039973462, - 1.3685605469480229, - -0.0016978132666268912, - 6.651570094522591e-07 - ] - }, - { - "identifier": { - "cas": "110-00-9", - "name": "furan" - }, - "DIPPR100": [ - 31727.98935087276, - -86.91107774755581, - 1.034818017455352, - -0.001405726194851168, - 5.836752757943574e-07 - ] - }, - { - "identifier": { - "cas": "110-02-1", - "name": "thiophene" - }, - "DIPPR100": [ - 25467.198999403372, - 12.637983179592924, - 0.7910379734910992, - -0.001174750423318871, - 5.061844841931692e-07 - ] - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane" - }, - "DIPPR100": [ - 73425.01938091124, - -1.3802007946134376, - 1.189134443648276, - -0.0015227106838885843, - 5.923223169172367e-07 - ] - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane" - }, - "DIPPR100": [ - 33548.85666424832, - -36.85801278627331, - 1.3996566371399162, - -0.0017273296089213351, - 6.440382744021498e-07 - ] - }, - { - "identifier": { - "cas": "110-83-8", - "name": "cyclohexene" - }, - "DIPPR100": [ - 32210.22818272565, - -7.557846519901293, - 1.2390212193571957, - -0.001655160073395765, - 6.660716003402558e-07 - ] - }, - { - "identifier": { - "cas": "110-86-1", - "name": "pyridine" - }, - "DIPPR100": [ - -29142.1914766271, - 410.6429942479703, - -0.14517051731295552, - -0.00013303140189045183, - 9.120965492114103e-08 - ] - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol" - }, - "DIPPR100": [ - 56405.31440155157, - 141.84473226569423, - 0.992331113476589, - -0.001425680905134736, - 5.807652138780037e-07 - ] - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane" - }, - "DIPPR100": [ - 89995.74337889065, - 41.430967226257586, - 1.4759002593483814, - -0.0019237172159621149, - 7.466387431101609e-07 - ] - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene" - }, - "DIPPR100": [ - 72709.97559575006, - 110.08348506434888, - 1.255151276836413, - -0.0017377226871940269, - 6.955879426346999e-07 - ] - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol" - }, - "DIPPR100": [ - 65975.26087504595, - 149.8515597669758, - 1.1825660181799351, - -0.001689498804008738, - 6.869409015118205e-07 - ] - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane" - }, - "DIPPR100": [ - 101037.34973579815, - 38.03866647805107, - 1.6974806881221651, - -0.002226363655262893, - 8.701085129897364e-07 - ] - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol" - }, - "DIPPR100": [ - 76434.85484868272, - 151.55602460369724, - 1.3870186539603233, - -0.001965622107557607, - 7.965255188190802e-07 - ] - }, - { - "identifier": { - "cas": "112-30-1", - "name": "1-decanol" - }, - "DIPPR100": [ - 96755.40148744924, - 159.05566988527147, - 1.7890229215480322, - -0.0025168709791411666, - 1.018272236845227e-06 - ] - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane" - }, - "DIPPR100": [ - 143249.87644816213, - -60.21333828066575, - 2.654142756966877, - -0.0035188468692548135, - 1.4152878268620444e-06 - ] - }, - { - "identifier": { - "cas": "112-41-4", - "name": "1-dodecene" - }, - "DIPPR100": [ - 113218.03747139266, - 125.61490123505912, - 2.057580064114382, - -0.002836146343678251, - 1.136503895275366e-06 - ] - }, - { - "identifier": { - "cas": "112-42-5", - "name": "1-undecanol" - }, - "DIPPR100": [ - 107447.8004143943, - 157.7502992542214, - 2.0057809620032874, - -0.002811618678954699, - 1.1370027630324554e-06 - ] - }, - { - "identifier": { - "cas": "112-53-8", - "name": "1-dodecanol" - }, - "DIPPR100": [ - 117009.43242527053, - 165.77375568073927, - 2.1960158667066336, - -0.003075436577828701, - 1.2430953060400908e-06 - ] - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane" - }, - "DIPPR100": [ - 230842.7401304065, - -86.378952139994, - 4.438177000944018, - -0.005950411461933728, - 2.404043721412827e-06 - ] - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propene (propylene)" - }, - "DIPPR100": [ - 31877.649677999518, - 32.368202972470556, - 0.3897820075390238, - -0.0004999486372295542, - 1.8981918157243843e-07 - ] - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether" - }, - "DIPPR100": [ - 36259.37147776627, - 50.46878809219016, - 0.24103627130026237, - -0.00029774090635606746, - 1.0659141076472453e-07 - ] - }, - { - "identifier": { - "cas": "115-11-7", - "name": "2-methylpropene" - }, - "DIPPR100": [ - 26864.028719253114, - 174.17967738769218, - 0.1923135203578844, - -0.00032833812879087137, - 1.3020448460027973e-07 - ] - }, - { - "identifier": { - "cas": "115-25-3", - "name": "octafluorocyclobutane" - }, - "DIPPR100": [ - 7890.425024627423, - 672.9892332385595, - -0.6631615384239022, - 0.00024693953975915117, - -7.233582477793318e-09 - ] - }, - { - "identifier": { - "cas": "116-14-3", - "name": "tetrafluoroethene" - }, - "DIPPR100": [ - 18483.050400154647, - 303.90192315611904, - -0.39709873464299866, - 0.0002729638077539708, - -7.740764697500664e-08 - ] - }, - { - "identifier": { - "cas": "120-12-7", - "name": "anthracene" - }, - "DIPPR100": [ - 21426.370166980894, - 264.616087285345, - 1.5640335631008058, - -0.0024712245793675055, - 1.0675770001708757e-06 - ] - }, - { - "identifier": { - "cas": "120-92-3", - "name": "cyclopentanone" - }, - "DIPPR100": [ - 35702.30248235, - -10.276675796037402, - 1.0875317104544437, - -0.0014576084415884442, - 5.879156517296155e-07 - ] - }, - { - "identifier": { - "cas": "121-44-8", - "name": "N, N-diethylethanamine (triethyl amine)" - }, - "DIPPR100": [ - 38088.55325375999, - 333.31849189914516, - 0.48165681946961714, - -0.0008341068898531328, - 3.4862541757916525e-07 - ] - }, - { - "identifier": { - "cas": "123-07-9", - "name": "4-ethyl-phenol" - }, - "DIPPR100": [ - -30164.87037865995, - 734.7324326409654, - -0.4705985841874733, - 5.1217089727823954e-05, - 4.5563255147479746e-08 - ] - }, - { - "identifier": { - "cas": "123-91-1", - "name": "1,4-dioxane" - }, - "DIPPR100": [ - 31012.94556571158, - 15.390070306201645, - 0.9795268410446331, - -0.0012970561684319051, - 5.135843559233256e-07 - ] - }, - { - "identifier": { - "cas": "124-11-8", - "name": "1-nonene" - }, - "DIPPR100": [ - 82836.9910646607, - 113.94139571917198, - 1.4559455490648137, - -0.002012099953593084, - 8.06004006203775e-07 - ] - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane" - }, - "DIPPR100": [ - 111970.86807866966, - 34.41356077653626, - 1.9228857697002995, - -0.0025339987721345624, - 9.952411753929428e-07 - ] - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide" - }, - "DIPPR100": [ - 27096.833672561403, - 11.274411310215791, - 0.12488322852466165, - -0.00019738534255495788, - 8.78007252476982e-08 - ] - }, - { - "identifier": { - "cas": "124-40-3", - "name": "N-methylmethanamine (dimethyl amine)" - }, - "DIPPR100": [ - 20528.408204220344, - 128.55822100188539, - 0.21966810237160858, - -0.00033465712038066787, - 1.3003819534791665e-07 - ] - }, - { - "identifier": { - "cas": "141-78-6", - "name": "ethyl ethanoate (ethyl acetate)" - }, - "DIPPR100": [ - 85040.32365847132, - -124.2845872161546, - 1.0836239130239116, - -0.0013083638375925937, - 4.987846124630129e-07 - ] - }, - { - "identifier": { - "cas": "142-29-0", - "name": "cyclopentene" - }, - "DIPPR100": [ - 37872.377225688, - -103.16585216604538, - 1.2633825948283846, - -0.001635953664747831, - 6.568425468341058e-07 - ] - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane" - }, - "DIPPR100": [ - 80101.5328632883, - 34.55490664104486, - 1.2882428380566628, - -0.0016683800689586289, - 6.460337454305067e-07 - ] - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol" - }, - "DIPPR100": [ - 86054.68809788601, - 158.84780831981763, - 1.580329909832386, - -0.0022347612625072274, - 9.055281237430692e-07 - ] - }, - { - "identifier": { - "cas": "287-23-0", - "name": "cyclobutane" - }, - "DIPPR100": [ - 39402.238347428196, - -136.54841957793064, - 1.2045993441180414, - -0.0015000122009410258, - 5.89412255000883e-07 - ] - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane" - }, - "DIPPR100": [ - 41730.2878805111, - -164.07760530663603, - 1.4897022672945157, - -0.0018042383881392528, - 6.830331040812885e-07 - ] - }, - { - "identifier": { - "cas": "288-14-2", - "name": "1,2-oxazole (isoxazole)" - }, - "DIPPR100": [ - 32517.863299597317, - -80.69185970917718, - 0.8630412197643061, - -0.0011201244039176043, - 4.4557205170683207e-07 - ] - }, - { - "identifier": { - "cas": "291-64-5", - "name": "3,5-dimethylpyridine (3,5 lutidine)" - }, - "DIPPR100": [ - 33216.27815952219, - 44.05833741359401, - 1.4941920771083186, - -0.0020103539164432714, - 8.035928120445105e-07 - ] - }, - { - "identifier": { - "cas": "292-64-8", - "name": "cyclooctane" - }, - "DIPPR100": [ - 35220.06365049712, - 109.07743508755235, - 1.3563382868993377, - -0.0017520235628972504, - 6.640761293118992e-07 - ] - }, - { - "identifier": { - "cas": "302-01-2", - "name": "hydrazine" - }, - "DIPPR100": [ - 30156.555916041794, - 18.6160818020451, - 0.23912394489808714, - -0.0003375671822970215, - 1.4051441824678974e-07 - ] - }, - { - "identifier": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane (R-123)" - }, - "DIPPR100": [ - 24910.130003987102, - 328.3381287908714, - -0.22806570961594333, - -1.014364439414695e-05, - 4.7558726175836524e-08 - ] - }, - { - "identifier": { - "cas": "307-34-6", - "name": "octadecafluorooctane" - }, - "DIPPR100": [ - 27870.078696049655, - 1610.336805421301, - -2.0393713909806266, - 0.0012879934041781181, - -3.294190089312313e-07 - ] - }, - { - "identifier": { - "cas": "307-45-9", - "name": "docosafluorodecane" - }, - "DIPPR100": [ - 33607.05790257539, - 2000.933630296904, - -2.568171213495172, - 0.001655160073395765, - -4.3393180404141753e-07 - ] - }, - { - "identifier": { - "cas": "327-54-8", - "name": "1,2,4,5-tetrafluorobenzene" - }, - "DIPPR100": [ - 58.20123832707267, - 576.5331524053637, - -0.5148315253160486, - 0.00019480785914333037, - -1.679521448866954e-08 - ] - }, - { - "identifier": { - "cas": "335-57-9", - "name": "hexadecafluoroheptane" - }, - "DIPPR100": [ - 24960.01677969602, - 1415.4956884274982, - -1.7763849383684394, - 0.0011058235282143808, - -2.777861960724997e-07 - ] - }, - { - "identifier": { - "cas": "344-07-0", - "name": "chloropentafluorobenzene" - }, - "DIPPR100": [ - 24893.501078750796, - 623.3269480203301, - -0.7024058019815856, - 0.0004064940774015119, - -9.786122501566361e-08 - ] - }, - { - "identifier": { - "cas": "352-93-2", - "name": "3-thiapentane (diethyl sulfide)" - }, - "DIPPR100": [ - 36043.195449694285, - 216.85781400667278, - 0.3291695750526867, - -0.0005721181727551244, - 2.411194159264439e-07 - ] - }, - { - "identifier": { - "cas": "353-36-6", - "name": "fluoroethane" - }, - "DIPPR100": [ - 32268.429421052715, - 13.436171590935635, - 0.3990110610451739, - -0.000512254041904421, - 1.9655389629314256e-07 - ] - }, - { - "identifier": { - "cas": "353-59-3", - "name": "bromochlorodifluoromethane" - }, - "DIPPR100": [ - 16362.862432525573, - 304.2428161234633, - -0.45638085311043125, - 0.0003355717112686647, - -9.72792126323929e-08 - ] - }, - { - "identifier": { - "cas": "354-23-4", - "name": "1,2-dichloro-1,2,2-trifluoroethane (R-123a)" - }, - "DIPPR100": [ - 22440.73460639559, - 360.007916903417, - -0.30455876570295315, - 5.820123832707267e-05, - 2.6772569630453428e-08 - ] - }, - { - "identifier": { - "cas": "354-25-6", - "name": "1-chloro-1,1,2,2-tetrafluoroethane" - }, - "DIPPR100": [ - 24012.168041226552, - 318.94278603235824, - -0.20520093741602194, - -3.325785047261296e-05, - 5.628891192489742e-08 - ] - }, - { - "identifier": { - "cas": "354-33-6", - "name": "pentafluoroethane" - }, - "DIPPR100": [ - 26157.29939671009, - 248.91006739965349, - -0.004656099066165814, - -0.00025101362644204626, - 1.3876838109697754e-07 - ] - }, - { - "identifier": { - "cas": "355-25-9", - "name": "decafluoro-2-methylpropane" - }, - "DIPPR100": [ - 16337.919044671115, - 829.7667403664569, - -0.9836009277275282, - 0.0005554061028926364, - -1.211417203464927e-07 - ] - }, - { - "identifier": { - "cas": "355-42-0", - "name": "tetradecafluorohexane" - }, - "DIPPR100": [ - 22116.470564287614, - 1220.0060433494791, - -1.5114861593540774, - 0.000921741325848468, - -2.2532193695195276e-07 - ] - }, - { - "identifier": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane (R-134)" - }, - "DIPPR100": [ - 25641.802714384587, - 273.05526684277055, - -0.20162571849021604, - 4.05745775765878e-05, - 1.3469429441408245e-08 - ] - }, - { - "identifier": { - "cas": "363-72-4", - "name": "pentafluorobenzene" - }, - "DIPPR100": [ - 9952.411753929428, - 603.3971811246168, - -0.6126927503317121, - 0.00030563964584331304, - -5.969784159834025e-08 - ] - }, - { - "identifier": { - "cas": "374-07-2", - "name": "1,1-dichloro-1,2,2,2- tetrafluoroethane" - }, - "DIPPR100": [ - 18857.201217971542, - 469.0604086031149, - -0.5743630776620257, - 0.0003286707072955975, - -7.158752314229939e-08 - ] - }, - { - "identifier": { - "cas": "375-96-2", - "name": "eicosafluorononane" - }, - "DIPPR100": [ - 30738.568299312523, - 1805.5936455460117, - -2.303605012985536, - 0.0014716598834131232, - -3.8155068954705214e-07 - ] - }, - { - "identifier": { - "cas": "392-56-3", - "name": "hexafluorobenzene" - }, - "DIPPR100": [ - 21043.904886545846, - 625.812972343158, - -0.6992463061866874, - 0.0004028357138495244, - -9.694663412766676e-08 - ] - }, - { - "identifier": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane (R-143a)" - }, - "DIPPR100": [ - 21426.370166980894, - 197.27725454092192, - 0.03990942056713554, - -0.00023480042433664746, - 1.196451170752251e-07 - ] - }, - { - "identifier": { - "cas": "430-66-0", - "name": "1,1,2-trifluoroethane (R-143)" - }, - "DIPPR100": [ - 29358.367504699087, - 136.77291006862077, - 0.17244195470049817, - -0.0003506208886075221, - 1.55397306333284e-07 - ] - }, - { - "identifier": { - "cas": "463-49-0", - "name": "1,2-propadiene" - }, - "DIPPR100": [ - 28294.11628957547, - 52.13999507843896, - 0.2816939935030317, - -0.0004251184736661751, - 1.7967553717829148e-07 - ] - }, - { - "identifier": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane (neopentane)" - }, - "DIPPR100": [ - -95017.67880025522, - 1297.363803548777, - -2.775617055818096, - 0.00333634441478635, - -1.4804732137883657e-06 - ] - }, - { - "identifier": { - "cas": "464-06-2", - "name": "2,2,3-trimethylbutane" - }, - "DIPPR100": [ - -5911.5829215069525, - 611.6284991165885, - -0.08372663856480311, - -0.0002509304818158648, - 1.3161794324536576e-07 - ] - }, - { - "identifier": { - "cas": "493-01-6", - "name": "cis-bicyclo[4.4.0]decane (cis-decalin)" - }, - "DIPPR100": [ - -45272.248955844385, - 665.7223929102935, - 0.42112753160946154, - -0.0009774482253900947, - 4.230398580116368e-07 - ] - }, - { - "identifier": { - "cas": "493-02-7", - "name": "trans-bicyclo[4.4.0]decane (trans-decalin)" - }, - "DIPPR100": [ - -17917.666942120228, - 447.7504409127882, - 1.0484537361491233, - -0.001744457401914731, - 7.537891809617726e-07 - ] - }, - { - "identifier": { - "cas": "505-22-6", - "name": "1,3-dioxane" - }, - "DIPPR100": [ - 31877.649677999518, - -2.0703011919201564, - 0.9964883447856656, - -0.001288242838056663, - 5.027755545197263e-07 - ] - }, - { - "identifier": { - "cas": "513-35-9", - "name": "2-methyl-2-butene" - }, - "DIPPR100": [ - 10309.933646510015, - 326.7833242812767, - 0.022449049069013745, - -0.00020786156545383094, - 9.312198132331628e-08 - ] - }, - { - "identifier": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene" - }, - "DIPPR100": [ - 33607.05790257539, - 259.01213948070966, - 0.8468280176589073, - -0.0013520979109640798, - 5.755271024285671e-07 - ] - }, - { - "identifier": { - "cas": "534-22-5", - "name": "2-methylfuran" - }, - "DIPPR100": [ - 32858.7562669416, - 46.02055059147818, - 0.7692540814315376, - -0.0010847047931642714, - 4.4507318394974285e-07 - ] - }, - { - "identifier": { - "cas": "540-54-5", - "name": "1-chloropropane" - }, - "DIPPR100": [ - 36292.62932823889, - 82.27160760662629, - 0.4461540640901028, - -0.0006408787786072516, - 2.59411233686381e-07 - ] - }, - { - "identifier": { - "cas": "540-67-0", - "name": "methyl ethyl ether" - }, - "DIPPR100": [ - 33324.36617355818, - 178.70274505196758, - 0.14990976100530287, - -0.00027712103906304747, - 1.1066549744761961e-07 - ] - }, - { - "identifier": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane (isooctane)" - }, - "DIPPR100": [ - 3192.7536453708435, - 640.7041748922704, - 0.05529117641071903, - -0.0004626998447002277, - 2.177557759694333e-07 - ] - }, - { - "identifier": { - "cas": "543-59-9", - "name": "1-chloropentane" - }, - "DIPPR100": [ - 58633.59038321664, - 81.14084069055745, - 0.8489066333134456, - -0.0011704269027574315, - 4.6893569166384265e-07 - ] - }, - { - "identifier": { - "cas": "544-76-3", - "name": "hexadecane" - }, - "DIPPR100": [ - 330474.94568373676, - -1714.0430976575265, - 9.54616711040646, - -0.012932980313285, - 5.6150891845436075e-06 - ] - }, - { - "identifier": { - "cas": "560-21-4", - "name": "2,3,3-trimethylpentane" - }, - "DIPPR100": [ - -47608.612951545445, - 980.5994067223749, - -0.7433129580628995, - 0.00033357624024030793, - -6.784601496413043e-08 - ] - }, - { - "identifier": { - "cas": "562-49-2", - "name": "3,3-dimethylpentane" - }, - "DIPPR100": [ - -3990.9420567135544, - 610.40627311172, - -0.06152702337433397, - -0.0002961611584586183, - 1.51489508902752e-07 - ] - }, - { - "identifier": { - "cas": "563-16-6", - "name": "3,3-dimethylhexane" - }, - "DIPPR100": [ - -17402.17025979473, - 785.5504281631179, - -0.23347011031774292, - -0.00023371954419628755, - 1.509906411456628e-07 - ] - }, - { - "identifier": { - "cas": "563-45-1", - "name": "3-methyl-1-butene" - }, - "DIPPR100": [ - 17526.887199067027, - 348.47575725203853, - -0.03458816449151747, - -0.00016105114091362823, - 7.93199733771819e-08 - ] - }, - { - "identifier": { - "cas": "564-02-3", - "name": "2,2,3-trimethylpentane" - }, - "DIPPR100": [ - -37331.93715550804, - 898.1448809381492, - -0.539276045413419, - 0.00011981140632758816, - 1.18065369177776e-08 - ] - }, - { - "identifier": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane" - }, - "DIPPR100": [ - -35868.591734713074, - 804.0750508763634, - -0.53661541737561, - 0.00018516308250627264, - -2.6024267994819637e-08 - ] - }, - { - "identifier": { - "cas": "575-43-9", - "name": "1,6-dimethylnaphthalene" - }, - "DIPPR100": [ - -36018.25206183983, - 864.2634457691746, - -0.3788069168830615, - -0.0001470828437151308, - 1.3062020773118737e-07 - ] - }, - { - "identifier": { - "cas": "576-26-1", - "name": "2,6-dimethylphenol (2,6 xylenol)" - }, - "DIPPR100": [ - 21650.860657671034, - 432.2689115177869, - 0.2230770320450514, - -0.000613607341219709, - 2.777030514463182e-07 - ] - }, - { - "identifier": { - "cas": "582-16-1", - "name": "2,7-dimethylnaphthalene" - }, - "DIPPR100": [ - -27337.953088487848, - 842.1552896675053, - -0.39477068510991575, - -8.971305164987344e-05, - 1.0135329931528798e-07 - ] - }, - { - "identifier": { - "cas": "583-48-2", - "name": "3,4-dimethylhexane" - }, - "DIPPR100": [ - -51117.31617640611, - 968.8178131924517, - -0.694340773241977, - 0.00024619123812351737, - -2.860175140644714e-08 - ] - }, - { - "identifier": { - "cas": "583-58-4", - "name": "2,6-dimethylpyridine (2,6 lutidine)" - }, - "DIPPR100": [ - 28377.260915757, - 264.45811249560006, - 0.43933620474321716, - -0.0007359130863327432, - 3.0015210051533187e-07 - ] - }, - { - "identifier": { - "cas": "584-94-1", - "name": "2,3-dimethylhexane" - }, - "DIPPR100": [ - -29882.178649642738, - 839.6193785689685, - -0.40574577576587806, - -2.8435462154084077e-05, - 6.560111005722905e-08 - ] - }, - { - "identifier": { - "cas": "589-38-8", - "name": "3-hexanone (ethyl propyl ketone)" - }, - "DIPPR100": [ - 77798.42671805984, - 112.28681765815948, - 0.7262683096956853, - -0.000990917654831503, - 3.916111893150175e-07 - ] - }, - { - "identifier": { - "cas": "589-43-5", - "name": "2,4-dimethylhexane" - }, - "DIPPR100": [ - -28036.36794841272, - 903.3247911492587, - -0.6042119984611958, - 0.00018092270657101448, - -8.563896496697835e-09 - ] - }, - { - "identifier": { - "cas": "589-53-7", - "name": "4-methylheptane" - }, - "DIPPR100": [ - 18142.157432810367, - 522.3810573733316, - 0.3674161030961916, - -0.000833192298965136, - 3.6234428089911813e-07 - ] - }, - { - "identifier": { - "cas": "589-93-5", - "name": "2,4-dimethylpyridine (2,4 lutidine)" - }, - "DIPPR100": [ - 35311.5227392968, - 112.13715733103274, - 0.959073263003976, - -0.0013772075880709024, - 5.656328919129647e-07 - ] - }, - { - "identifier": { - "cas": "590-18-1", - "name": "cis-2-butene" - }, - "DIPPR100": [ - 30672.052598367296, - 159.50465086665173, - 0.1854125163848172, - -0.0002848534892979299, - 1.0442965048400467e-07 - ] - }, - { - "identifier": { - "cas": "590-35-2", - "name": "2,2-dimethylpentane" - }, - "DIPPR100": [ - 10933.518342871508, - 502.7090388187811, - 0.2338858334486506, - -0.0006335620515032767, - 2.855186463073822e-07 - ] - }, - { - "identifier": { - "cas": "590-73-8", - "name": "2,2-dimethylhexane" - }, - "DIPPR100": [ - 28701.52495786498, - 459.14125469965813, - 0.5043553024171754, - -0.0009371230816920514, - 3.9344037109101123e-07 - ] - }, - { - "identifier": { - "cas": "591-22-0", - "name": "3,4-dimethylpyridine (3,4 lutidine)" - }, - "DIPPR100": [ - 34380.30292606364, - 126.51286319781968, - 0.8972968057510975, - -0.0012894900074493856, - 5.258066159720108e-07 - ] - }, - { - "identifier": { - "cas": "591-76-4", - "name": "2-methylhexane" - }, - "DIPPR100": [ - 28701.52495786498, - 385.5665749916201, - 0.4528056341846253, - -0.0008210531835426322, - 3.3997837645628594e-07 - ] - }, - { - "identifier": { - "cas": "591-78-6", - "name": "2-hexanone (methyl butyl ketone)" - }, - "DIPPR100": [ - 76044.07510562953, - 72.34413924055133, - 0.8926407066849317, - -0.0012055970796322195, - 4.795782038150788e-07 - ] - }, - { - "identifier": { - "cas": "592-13-2", - "name": "2,5-dimethylhexane" - }, - "DIPPR100": [ - -11365.870399015477, - 725.7278696255055, - -0.14957718250057675, - -0.0002779524853248628, - 1.5439957081910564e-07 - ] - }, - { - "identifier": { - "cas": "592-27-8", - "name": "2-methylheptane" - }, - "DIPPR100": [ - 43709.129983631574, - 342.4560863164956, - 0.8097455143819439, - -0.0013047054740406062, - 5.462601940126678e-07 - ] - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene" - }, - "DIPPR100": [ - 52406.05788221986, - 102.7002422594288, - 0.8528975753701592, - -0.00118664010486283, - 4.7458952624418683e-07 - ] - }, - { - "identifier": { - "cas": "592-76-7", - "name": "1-heptene" - }, - "DIPPR100": [ - 62524.75888851235, - 106.62466861519714, - 1.0534424137200151, - -0.0014615162390189762, - 5.849224451870803e-07 - ] - }, - { - "identifier": { - "cas": "593-45-3", - "name": "octadecane" - }, - "DIPPR100": [ - 208942.44559419088, - -79.84378452212556, - 3.9921892261062775, - -0.005342541099920544, - 2.1569378924013135e-06 - ] - }, - { - "identifier": { - "cas": "593-53-3", - "name": "fluoromethane" - }, - "DIPPR100": [ - 37922.26400139692, - -86.77804634566535, - 0.4001750858117154, - -0.00042146011011418765, - 1.470828437151308e-07 - ] - }, - { - "identifier": { - "cas": "594-82-1", - "name": "2,2,3,3-tetramethylbutane" - }, - "DIPPR100": [ - 6385.507290741687, - 606.5400479942788, - 0.13793693483516223, - -0.0005256403267196478, - 2.3995539115990245e-07 - ] - }, - { - "identifier": { - "cas": "609-26-7", - "name": "3-ethyl-2-methylpentane" - }, - "DIPPR100": [ - -7258.525865647777, - 791.4786400098612, - -0.44224626665957073, - 9.811065889420822e-05 - ] - }, - { - "identifier": { - "cas": "617-78-7", - "name": "3-ethylpentane" - }, - "DIPPR100": [ - 63173.2869727283, - 162.52280079704133, - 0.9678865933792186, - -0.0013392104939059422, - 5.302964257858135e-07 - ] - }, - { - "identifier": { - "cas": "619-99-8", - "name": "3-ethylhexane" - }, - "DIPPR100": [ - 59681.212673103946, - 280.3636794841272, - 0.8617940503715832, - -0.001273110516091624, - 5.061844841931692e-07 - ] - }, - { - "identifier": { - "cas": "620-17-7", - "name": "3-ethylphenol" - }, - "DIPPR100": [ - -33498.969888539395, - 749.690150891023, - -0.48864096806886587, - 5.820123832707267e-05, - 4.539696589511668e-08 - ] - }, - { - "identifier": { - "cas": "622-96-8", - "name": "1-ethyl-4-methylbenzene" - }, - "DIPPR100": [ - 42378.81596472706, - 144.54693261659406, - 1.1307669160688405, - -0.001604691285303575, - 6.499415428610387e-07 - ] - }, - { - "identifier": { - "cas": "624-64-6", - "name": "trans-2-butene" - }, - "DIPPR100": [ - 46427.95925976768, - -40.657722202769335, - 0.7593598709159353, - -0.000912512272342318, - 3.396457979515598e-07 - ] - }, - { - "identifier": { - "cas": "624-89-5", - "name": "2-thiabutane (methyl ethyl sulfide)" - }, - "DIPPR100": [ - 23413.526732719518, - 242.66590597342042, - 0.06709771332849664, - -0.00024012168041226553, - 1.101666296905304e-07 - ] - }, - { - "identifier": { - "cas": "627-19-0", - "name": "1-pentyne" - }, - "DIPPR100": [ - 28119.512574594253, - 263.46869144403985, - 0.06568425468341059, - -0.0002584966427983842, - 1.1781593529923139e-07 - ] - }, - { - "identifier": { - "cas": "627-20-3", - "name": "cis-2-pentene" - }, - "DIPPR100": [ - 24120.256055262544, - 264.2751943180007, - 0.15315240142638264, - -0.0003286707072955975, - 1.337797035260856e-07 - ] - }, - { - "identifier": { - "cas": "629-50-5", - "name": "tridecane" - }, - "DIPPR100": [ - 154200.02371626996, - -63.48923655221813, - 2.8771366443857467, - -0.0038228236225744962, - 1.538923885993983e-06 - ] - }, - { - "identifier": { - "cas": "629-59-4", - "name": "tetradecane" - }, - "DIPPR100": [ - 152778.25060856575, - 54.75073634053907, - 2.686153438046767, - -0.003547199186782716, - 1.3793693483516223e-06 - ] - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane" - }, - "DIPPR100": [ - 176100.3182524856, - -70.04103309532287, - 3.323207563849668, - -0.004430777129213861, - 1.7861128596316785e-06 - ] - }, - { - "identifier": { - "cas": "629-78-7", - "name": "heptadecane" - }, - "DIPPR100": [ - 197992.29832608305, - -76.57620071319133, - 3.7691953386874077, - -0.005038564346600862, - 2.0333018332693745e-06 - ] - }, - { - "identifier": { - "cas": "629-92-5", - "name": "nonadecane" - }, - "DIPPR100": [ - 219892.59286229868, - -83.12799725629608, - 4.215183113525147, - -0.005646517853240228, - 2.28049080690707e-06 - ] - }, - { - "identifier": { - "cas": "630-08-0", - "name": "carbon monoxide" - }, - "DIPPR100": [ - 32526.17776221547, - -32.53449222483362, - 0.09827694814657129, - -0.00010808801403599211, - 4.2819482483489175e-08 - ] - }, - { - "identifier": { - "cas": "678-26-2", - "name": "dodecafluoropentane" - }, - "DIPPR100": [ - 19247.980961024747, - 1024.6577441359689, - -1.2469199588444413, - 0.0007379085573610999, - -1.730239670837689e-07 - ] - }, - { - "identifier": { - "cas": "691-37-2", - "name": "4-methylpent-1-ene" - }, - "DIPPR100": [ - -11024.977431671196, - 545.6366093163062, - -0.2959948692062553, - 4.273633785730765e-05, - 1.4633454207949699e-08 - ] - }, - { - "identifier": { - "cas": "771-56-2", - "name": "pentafluorotoluene" - }, - "DIPPR100": [ - 50543.618255753536, - 401.8629217232005, - 0.013136850936682116, - -0.00032102140168689653, - 1.6196573180162509e-07 - ] - }, - { - "identifier": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane (R-134a)" - }, - "DIPPR100": [ - 25475.513462021525, - 211.35363975345533, - 0.048722750942377976, - -0.00027761990682013667, - 1.4267617852750955e-07 - ] - }, - { - "identifier": { - "cas": "872-05-9", - "name": "1-decene" - }, - "DIPPR100": [ - 92914.11975786244, - 118.24828735537535, - 1.6552432180219467, - -0.002285479484477962, - 9.155886235110347e-07 - ] - }, - { - "identifier": { - "cas": "1067-08-9", - "name": "3-ethyl-3-methylpentane" - }, - "DIPPR100": [ - -11224.524534506872, - 736.5283565664864, - -0.163046611941985, - -0.0002609909815838301, - 1.4874573623876143e-07 - ] - }, - { - "identifier": { - "cas": "1070-87-7", - "name": "2,2,4,4-tetramethylpentane" - }, - "DIPPR100": [ - 30106.669140332877, - 564.3441502071511, - 0.40533005263497035, - -0.0008405090260691109, - 3.56856735571137e-07 - ] - }, - { - "identifier": { - "cas": "1071-81-4", - "name": "2,2,5,5-tetramethylhexane" - }, - "DIPPR100": [ - 6651.570094522591, - 726.4844857237573, - 0.2634021757430946, - -0.0007774022547973277, - 3.443018970177256e-07 - ] - }, - { - "identifier": { - "cas": "108-89-4", - "name": "4-methylpyridine (4-picoline)" - }, - "DIPPR100": [ - 32459.662061270243, - 35.71893140758632, - 1.0028904810016437, - -0.0014038138684489927, - 5.771899949521979e-07 - ] - }, - { - "identifier": { - "cas": "1186-53-4", - "name": "2,2,3,4-tetramethylpentane" - }, - "DIPPR100": [ - -45081.01631562685, - 1026.894334580252, - -0.6677344928638865, - 0.00021534458181016888, - -2.1700747433379953e-08 - ] - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "hydrogen" - }, - "DIPPR100": [ - 23970.595728135788, - 30.60553689742207, - -0.06418765141214301, - 5.753608131762041e-05, - -1.7709805376666398e-08 - ] - }, - { - "identifier": { - "cas": "1511-62-2", - "name": "bromodifluoromethane" - }, - "DIPPR100": [ - 27055.261359470638, - 115.32991097640357, - -0.005820123832707267, - -9.39534275851316e-05, - 5.038564346600862e-08 - ] - }, - { - "identifier": { - "cas": "1640-89-7", - "name": "ethylcyclopentane" - }, - "DIPPR100": [ - 48614.66292834199, - -0.39909420567135545, - 1.4556129705600873, - -0.0018707540890844786, - 7.196998842273442e-07 - ] - }, - { - "identifier": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane (R-141b)" - }, - "DIPPR100": [ - 17792.95000284793, - 307.0863623388717, - -0.25949437831256256, - 7.707506847028051e-05, - 5.6538345803442025e-09 - ] - }, - { - "identifier": { - "cas": "1759-58-6", - "name": "trans-1,3-dimethylcyclopentane" - }, - "DIPPR100": [ - -20969.074722982466, - 503.34093797776075, - 0.22473992456868205, - -0.0006295711094465632, - 2.7944908859613036e-07 - ] - }, - { - "identifier": { - "cas": "2207-04-7", - "name": "t-1,4-dimethylcyclohexane" - }, - "DIPPR100": [ - 32443.033136033937, - 166.77149119491764, - 1.2758542887556144, - -0.001721675774340991, - 6.629952491715393e-07 - ] - }, - { - "identifier": { - "cas": "2532-58-3", - "name": "cis-1,3-dimethylcyclopentane" - }, - "DIPPR100": [ - -20969.074722982466, - 503.34093797776075, - 0.22473992456868205, - -0.0006295711094465632, - 2.7944908859613036e-07 - ] - }, - { - "identifier": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane" - }, - "DIPPR100": [ - 25126.306032059085, - 297.9404534589031, - -0.14500422806059246, - -0.00010068814230583572, - 8.264575842444319e-08 - ] - }, - { - "identifier": { - "cas": "3221-61-2", - "name": "2-methyloctane" - }, - "DIPPR100": [ - 49171.73192375825, - 391.1040070953102, - 0.863623232147577, - -0.0013873512324650494, - 5.697069785958599e-07 - ] - }, - { - "identifier": { - "cas": "3522-94-9", - "name": "2,2,5-trimethylhexane" - }, - "DIPPR100": [ - -7316.72710397485, - 766.1943591880572, - -0.0351701768747882, - -0.00043742387834104187, - 2.1625917269816574e-07 - ] - }, - { - "identifier": { - "cas": "7154-79-2", - "name": "2,2,3,3-tetramethylpentane" - }, - "DIPPR100": [ - -50044.75049866435, - 1093.4432933759504, - -0.8244621132160752, - 0.0003758137103405264, - -7.765708085355125e-08 - ] - }, - { - "identifier": { - "cas": "7154-80-5", - "name": "3,3,5-trimethylheptane" - }, - "DIPPR100": [ - -24935.073391841564, - 982.0045509048427, - -0.3477108266911685, - -0.00019638760704077948, - 1.427593231536911e-07 - ] - }, - { - "identifier": { - "cas": "7439-90-9", - "name": "krypton" - }, - "DIPPR100": [ - 20786.156545383095 - ] - }, - { - "identifier": { - "cas": "7440-01-9", - "name": "neon" - }, - "DIPPR100": [ - 20786.156545383095 - ] - }, - { - "identifier": { - "cas": "7440-37-1", - "name": "argon" - }, - "DIPPR100": [ - 20786.156545383095 - ] - }, - { - "identifier": { - "cas": "7440-63-3", - "name": "xenon" - }, - "DIPPR100": [ - 20786.156545383095 - ] - }, - { - "identifier": { - "cas": "7446-09-5", - "name": "sulfur dioxide" - }, - "DIPPR100": [ - 36724.98138438285, - -18.574509488954334, - 0.1948910037695119, - -0.00027196607223979244, - 1.1582046427087461e-07 - ] - }, - { - "identifier": { - "cas": "7446-11-9", - "name": "sulfur trioxide" - }, - "DIPPR100": [ - 28485.348929792995, - 53.869403303014835, - 0.14059756287297126, - -0.0002790333654652227, - 1.3219995562863651e-07 - ] - }, - { - "identifier": { - "cas": "7553-56-2", - "name": "iodine" - }, - "DIPPR100": [ - 29167.134864481563, - 52.40605788221986, - -0.12147429885121883, - 0.0001222226004868526, - -4.414979650239369e-08 - ] - }, - { - "identifier": { - "cas": "7616-94-6", - "name": "perchloryl fluoride" - }, - "DIPPR100": [ - 3907.7974305320217, - 302.1309426184524, - -0.39876162716662933, - 0.00026165613859328244, - -6.901003973067188e-08 - ] - }, - { - "identifier": { - "cas": "7647-01-0", - "name": "hydrogen chloride" - }, - "DIPPR100": [ - 31819.448439672444, - -24.411262246897905, - 0.07308412641356697, - -8.572210959315988e-05, - 3.6500490893692717e-08 - ] - }, - { - "identifier": { - "cas": "7664-39-3", - "name": "hydrogen fluoride" - }, - "DIPPR100": [ - 32434.71867341578, - -30.830027388112207, - 0.09686348950148523, - -0.00012180687735594495, - 5.3129416129999195e-08 - ] - }, - { - "identifier": { - "cas": "7664-41-7", - "name": "ammonia" - }, - "DIPPR100": [ - 35236.69257573343, - -35.0454599355159, - 0.1696981820365076, - -0.00017676547526193786, - 6.327306052414615e-08 - ] - }, - { - "identifier": { - "cas": "7698-05-7", - "name": "deuterium chloride" - }, - "DIPPR100": [ - 32567.750075306234, - -32.96684428097759, - 0.10018927454874653, - -0.00011000034043816734, - 4.331835024057837e-08 - ] - }, - { - "identifier": { - "cas": "7704-34-9", - "name": "sulfur" - }, - "DIPPR100": [ - 23305.438718683527, - -0.2993206542535166, - 0.011889681543959132, - -3.6167912388966585e-05, - 2.2282759816650677e-08 - ] - }, - { - "identifier": { - "cas": "7726-95-6", - "name": "bromine" - }, - "DIPPR100": [ - 26706.053929508205, - 59.53155234597718, - -0.12704498880538148, - 0.0001201439848323143, - -4.1489168464584663e-08 - ] - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen" - }, - "DIPPR100": [ - 29424.883205644313, - -2.170074743337995, - 0.0005820123832707267, - 1.3053706310500584e-05, - -8.231317991971706e-09 - ] - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water" - }, - "DIPPR100": [ - 36542.06320678348, - -34.80434051958945, - 0.11681819978505299, - -0.00013003819534791665, - 5.2547403746728464e-08 - ] - }, - { - "identifier": { - "cas": "7782-39-0", - "name": "deuterium" - }, - "DIPPR100": [ - 29848.920799170126, - -3.8412817295867963, - 0.004739243692347347, - 2.993206542535166e-06, - -2.161760280719842e-09 - ] - }, - { - "identifier": { - "cas": "7782-41-4", - "name": "Fluorine" - }, - "DIPPR100": [ - 27828.50638295889, - 3.8828540426775624, - 0.043734073371486035, - -6.601683318813672e-05, - 2.7437726639905687e-08 - ] - }, - { - "identifier": { - "cas": "7782-44-7", - "name": "oxygen" - }, - "DIPPR100": [ - 30181.499303896257, - -14.91614593696691, - 0.054709164027448305, - -4.988677570891943e-05, - 1.4882888086494297e-08 - ] - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine" - }, - "DIPPR100": [ - 25408.997761076298, - 44.65531582957742, - -0.06733051828180492, - 4.7334235685146385e-05, - -1.2684544170254581e-08 - ] - }, - { - "identifier": { - "cas": "7783-06-4", - "name": "hydrogen sulfide" - }, - "DIPPR100": [ - 35469.49752904171, - -28.585122481210835, - 0.10966776193344122, - -0.00011066549744761961, - 4.0574577576587806e-08 - ] - }, - { - "identifier": { - "cas": "7783-41-7", - "name": "oxygen difluoride" - }, - "DIPPR100": [ - 28576.80801859268, - 45.954034890532945, - 0.04173860234312926, - -0.00012080914184176655, - 6.111130024342631e-08 - ] - }, - { - "identifier": { - "cas": "7783-60-0", - "name": "sulfur tetrafluoride" - }, - "DIPPR100": [ - -6718.085795467817, - 425.9914922410812, - -0.6860263106238237, - 0.0005267212068600076, - -1.568939096045516e-07 - ] - }, - { - "identifier": { - "cas": "7789-20-0", - "name": "deuterium oxide" - }, - "DIPPR100": [ - 35536.013229986944, - -28.80961297190097, - 0.11440700562578857, - -0.00012322033600103098, - 4.72261476711104e-08 - ] - }, - { - "identifier": { - "cas": "7440-59-7", - "name": "helium" - }, - "DIPPR100": [ - 20786.156545383095 - ] - }, - { - "identifier": { - "cas": "10022-50-1", - "name": "nitrogen dioxyfluoride" - }, - "DIPPR100": [ - 13469.429441408247, - 173.63092285489407, - -0.20885930096800936, - 0.00013186737712391036, - -3.49207429962436e-08 - ] - }, - { - "identifier": { - "cas": "10024-97-2", - "name": "dinitrogen oxide (nitrous oxide)" - }, - "DIPPR100": [ - 26315.274186455, - 28.277487364339162, - 0.08223003529353554, - -0.00015631189722128087, - 7.399871730156383e-08 - ] - }, - { - "identifier": { - "cas": "10028-15-6", - "name": "ozone" - }, - "DIPPR100": [ - 34139.1835101372, - -31.669788112545685, - 0.26032582457437786, - -0.00035752189258058927, - 1.5074120726711822e-07 - ] - }, - { - "identifier": { - "cas": "10034-85-2", - "name": "hydrogen iodide" - }, - "DIPPR100": [ - 30331.159631023016, - -11.573731964469308, - 0.0323432595846161, - -2.7105148135179557e-05, - 9.145908879968561e-09 - ] - }, - { - "identifier": { - "cas": "10035-10-6", - "name": "hydrogen bromide" - }, - "DIPPR100": [ - 31944.165378944745, - -25.758205191038734, - 0.0762436222084652, - -8.580525421934143e-05, - 3.5419610753332796e-08 - ] - }, - { - "identifier": { - "cas": "10043-92-2", - "name": "radon" - }, - "DIPPR100": [ - 20786.156545383095 - ] - }, - { - "identifier": { - "cas": "10102-43-9", - "name": "nitrogen monoxide (nitric oxide)" - }, - "DIPPR100": [ - 37697.77351070678, - -63.555752253163355, - 0.1717767976910459, - -0.0001792598140473838, - 6.701456870231511e-08 - ] - }, - { - "identifier": { - "cas": "10544-72-6", - "name": "dinitrogen tetroxide (nitrogen dioxide)" - }, - "DIPPR100": [ - 28052.996873649026, - 226.62730758300282, - -0.1593882483899976, - -5.1217089727823954e-05, - 7.142123388993632e-08 - ] - }, - { - "identifier": { - "cas": "13465-07-1", - "name": "dihydrogen disulfide" - }, - "DIPPR100": [ - 27969.852247467494, - 67.28894596871416, - 0.0528799822514546, - -0.000165540950727431, - 8.713556823824594e-08 - ] - }, - { - "identifier": { - "cas": "13475-81-5", - "name": "2,2,3,3-tetramethylhexane" - }, - "DIPPR100": [ - -63838.443982180564, - 1278.481658942951, - -1.0489526039062125, - 0.0005130854881662363, - -1.1000034043816735e-07 - ] - }, - { - "identifier": { - "cas": "13536-59-9", - "name": "deuteriumbromide" - }, - "DIPPR100": [ - 30896.543089057435, - -19.272924348879208, - 0.0613607341219709, - -5.961469697215872e-05, - 2.0786156545383096e-08 - ] - }, - { - "identifier": { - "cas": "13536-94-2", - "name": "deuterium sulfide" - }, - "DIPPR100": [ - 35669.04463187739, - -32.792240565996366, - 0.16412749208234492, - -0.00018857201217971543, - 7.250211403029624e-08 - ] - }, - { - "identifier": { - "cas": "13550-49-7", - "name": "trideuteroammonia" - }, - "DIPPR100": [ - 34006.152108246744, - -26.96380227067095, - 0.19680333017168714, - -2.195018131192455e-05, - 7.990198576045262e-08 - ] - }, - { - "identifier": { - "cas": "13983-20-5", - "name": "deuterium hydride" - }, - "DIPPR100": [ - 32368.202972470557, - -29.16713486448156, - 0.09004563015459957, - -0.0001111643652047088, - 4.822388318528878e-08 - ] - }, - { - "identifier": { - "cas": "14104-45-1", - "name": "deuterium iodide" - }, - "DIPPR100": [ - 31104.404654511265, - -23.795992013154567, - 0.08314462618153239, - -8.738500211679054e-05, - 3.1761247201345375e-08 - ] - }, - { - "identifier": { - "cas": "14762-55-1", - "name": "helium-3" - }, - "DIPPR100": [ - 20786.156545383095 - ] - }, - { - "identifier": { - "cas": "16747-38-9", - "name": "2,3,3,4-tetramethylpentane" - }, - "DIPPR100": [ - -76401.59699821011, - 1346.2861015939907, - -1.4905337135563312, - 0.0010550221616174643, - -3.216865586963488e-07 - ] - }, - { - "identifier": { - "cas": "20291-95-6", - "name": "2,2,5-trimethylheptane" - }, - "DIPPR100": [ - -7990.198576045262, - 833.8907138250609, - 0.019705276405023175, - -0.0005722844620074874, - 2.791165100914042e-07 - ] - } -] \ No newline at end of file diff --git a/parameters/multiparameter/README.md b/parameters/multiparameter/README.md deleted file mode 100644 index 44755036e..000000000 --- a/parameters/multiparameter/README.md +++ /dev/null @@ -1,7 +0,0 @@ -# Parameters for pure-component Helmholtz energy models - -This directory contains files with parameters for multiparameter equations of state. - -|file|description|Link| -|-|-|:-:| -[`coolprop.json`](coolprop.json) | the list of pure fluids contained in the open-source software CoolProp | [🔗](https://coolprop.org/fluid_properties/PurePseudoPure.html) | diff --git a/parameters/multiparameter/coolprop.json b/parameters/multiparameter/coolprop.json deleted file mode 100644 index 5b90f151d..000000000 --- a/parameters/multiparameter/coolprop.json +++ /dev/null @@ -1,18231 +0,0 @@ -[ - { - "identifier": { - "name": "m-Xylene" - }, - "molarweight": 106.16499999999999, - "tc": 616.89, - "rhoc": 2665, - "ideal_gas": [ - { - "a1": 12.652887, - "a2": 0.45975624, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.169909, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 4.44312, - 2.862794, - 24.83298, - 16.26077 - ], - "t": [ - 0.259365527079382, - 0.3079965634067662, - 2.160839047480102, - 5.667136766684498 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -7.79365691983003e-08, - "a2": -0.919512475110122, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 8, - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 1.2791017e-05, - 0.041063111, - 1.505996, - -2.3095875, - -0.46969, - 0.171031, - -1.001728, - -0.3945766, - 0.6970578, - -0.3002876, - -0.024311 - ], - "t": [ - 1, - 0.91, - 0.231, - 0.772, - 1.205, - 0.323, - 2.7, - 3.11, - 0.768, - 4.1, - 0.818 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.66, - 1.9354, - 1.0323, - 78 - ], - "d": [ - 1, - 1, - 3, - 3 - ], - "epsilon": [ - 0.713, - 0.9169, - 0.6897, - 0.7245 - ], - "eta": [ - 1.0244, - 1.3788, - 0.9806, - 6.3563 - ], - "gamma": [ - 1.1013, - 0.6515, - 0.4975, - 1.26 - ], - "n": [ - 0.815488, - -0.330647, - -0.123393, - -0.54661 - ], - "t": [ - 2, - 2.9, - 3.83, - 0.5 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Neopentane" - }, - "molarweight": 72.14878, - "tc": 433.74, - "rhoc": 3270, - "ideal_gas": [ - { - "a1": 0.8702452614, - "a2": 1.6071746358, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 14.422, - 12.868, - 17.247, - 12.663 - ], - "t": [ - 1.636925346982063, - 3.977036934569097, - 7.562133997325587, - 17.9531516576751 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 1.1136, - -3.1792, - 1.1411, - -0.10467, - 0.11754, - 0.00034058, - 0.29553, - -0.074765, - -0.31474, - -0.099401, - -0.039569, - 0.023177 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Argon" - }, - "molarweight": 39.948, - "tc": 150.687, - "rhoc": 13407.42965855612, - "ideal_gas": [ - { - "a1": 8.31666243, - "a2": -4.94651164, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "a1": -18.6104772308484, - "a2": 4.94617011642842, - "reference": "OTH", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3, - 3, - 4, - 1, - 1, - 3, - 4, - 4, - 5, - 7, - 10, - 10, - 2, - 2, - 4, - 4, - 8, - 3, - 5, - 5, - 6, - 6, - 7, - 7, - 8, - 9, - 5, - 6 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 3, - 3, - 3, - 3, - 3, - 3, - 4, - 4 - ], - "n": [ - 0.088722304990011, - 0.70514805167298, - -1.682011565409, - -0.14909014431486, - -0.1202480460094, - -0.12164978798599, - 0.40035933626752, - -0.27136062699129, - 0.24211924579645, - 0.005788958318557, - -0.041097335615341, - 0.024710761541614, - -0.32181391750702, - 0.33230017695794, - 0.031019986287345, - -0.030777086002437, - 0.093891137419581, - -0.090643210682031, - -0.00045778349276654, - -8.2659729025197e-05, - 0.00013013415603147, - -0.011397840001996, - -0.024455169960535, - -0.064324067175955, - 0.058889471093674, - -0.00064933552112965, - -0.013889862158435, - 0.4048983929691, - -0.38612519594749, - -0.18817142332233, - 0.15977647596482, - 0.053985518513856, - -0.028953417958014, - -0.013025413381384, - 0.0028948696775778, - -0.0022647134304796, - 0.0017616456196368 - ], - "t": [ - 0, - 0.25, - 1, - 2.75, - 4, - 0, - 0.25, - 0.75, - 2.75, - 0, - 2, - 0.75, - 3, - 3.5, - 1, - 2, - 4, - 3, - 0, - 0.5, - 1, - 1, - 7, - 5, - 6, - 6, - 10, - 13, - 14, - 11, - 14, - 8, - 14, - 6, - 7, - 24, - 22 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 250, - 375, - 300, - 225 - ], - "d": [ - 2, - 1, - 2, - 3 - ], - "epsilon": [ - 1, - 1, - 1, - 1 - ], - "eta": [ - 20, - 20, - 20, - 20 - ], - "gamma": [ - 1.11, - 1.14, - 1.17, - 1.11 - ], - "n": [ - 0.0058552454482774, - -0.69251908270028, - 1.5315490030516, - -0.0027380447449783 - ], - "t": [ - 3, - 1, - 0, - 0 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "HydrogenChloride" - }, - "molarweight": 36.460899999999995, - "tc": 324.68, - "rhoc": 11870, - "ideal_gas": [ - { - "a1": -4.069044527, - "a2": 4.0257768311, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 0.0033327, - 0.935243, - 0.209996 - ], - "t": [ - 0.9239866945915979, - 12.319822594554639, - 19.403720586423557 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.01952802, - 1.926809, - -2.835744, - -0.2276121, - 0.08843713, - -2.433471, - -0.2636625, - 0.6307008, - -0.6382638, - -0.006851438 - ], - "t": [ - 1.0, - 0.553, - 1.037, - 0.817, - 0.378, - 1.523, - 2.656, - 1.338, - 2.828, - 0.75 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.95, - 0.92, - 1550, - 1.2, - 0.89 - ], - "d": [ - 1, - 1, - 3, - 2, - 2 - ], - "epsilon": [ - 0.855, - 0.91, - 0.942, - 0.702, - 0.487 - ], - "eta": [ - 1.141, - 1.162, - 34.6, - 1.175, - 0.99 - ], - "gamma": [ - 1.56, - 1.14, - 1.06, - 0.94, - 1.25 - ], - "n": [ - 7.363661, - -1.262993, - -0.006539739, - -0.8752692, - -3.224835 - ], - "t": [ - 0.644, - 2.892, - 0.76, - 1.323, - 0.693 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "n-Hexane" - }, - "molarweight": 86.17536, - "tc": 507.82, - "rhoc": 2706, - "ideal_gas": [ - { - "a1": 12.313791358169851, - "a2": -1.3163412546284243, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 9.21, - 6.04, - 25.3, - 10.96 - ], - "t": [ - 0.3741483202709622, - 5.9076050569099285, - 2.9538025284549643, - 8.861407585364892 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.0446249, - 1.740621, - -2.050688, - -0.7724346, - 0.2116422, - -3.187864, - -1.134719, - 0.6817086, - -1.111314, - -0.02377251 - ], - "t": [ - 1.0, - 0.303, - 0.845, - 1.055, - 0.523, - 1.48, - 2.06, - 1.19, - 1.883, - 0.98 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.7, - 0.52, - 0.69, - 0.88, - 180.0 - ], - "d": [ - 1, - 3, - 2, - 2, - 1 - ], - "epsilon": [ - 0.767, - 0.707, - 0.692, - 0.46, - 0.92 - ], - "eta": [ - 0.864, - 1.094, - 0.751, - 1.062, - 6.6 - ], - "gamma": [ - 1.21, - 1.13, - 1.0, - 0.82, - 1.14 - ], - "n": [ - 3.744662, - -0.4322223, - -0.8054799, - -1.055577, - -0.02932639 - ], - "t": [ - 0.94, - 1.47, - 1.11, - 0.895, - 1.73 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "CarbonylSulfide" - }, - "molarweight": 60.0751, - "tc": 378.77, - "rhoc": 7410, - "ideal_gas": [ - { - "a1": -3.6587449805, - "a2": 3.7349245016, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 2.1651, - 0.93456, - 1.0623, - 0.34269 - ], - "t": [ - 2.027615703461204, - 3.59848984872086, - 8.382395649074637, - 33.87015867148929 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.94374, - -2.5348, - 0.59058, - -0.021488, - 0.082083, - 0.00024689, - 0.21226, - -0.041251, - -0.22333, - -0.050828, - -0.028333, - 0.016983 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R11" - }, - "molarweight": 137.368, - "tc": 471.11, - "rhoc": 4032.962, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298, - "Tc": 471.11, - "cp_over_R": 4.00564923248634, - "type": "IdealGasHelmholtzCP0Constant" - }, - { - "T0": 298, - "Tc": 471.11, - "c": [ - 0.0002228874581905608 - ], - "t": [ - 1 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "n": [ - 1, - 2, - 1, - 2, - 1, - 2 - ], - "t": [ - 3.313613168898983, - 2.586756086688884, - 1.634512228566577, - 1.215500498821931, - 1.06738046316147, - 0.7360191462715714 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -20.0312014458899, - "a2": 12.6387040144928, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 2, - 3, - 3, - 4, - 4, - 5, - 5, - 5, - 6, - 8, - 1, - 1, - 2, - 2, - 2, - 3, - 4, - 6, - 10, - 3, - 5, - 8, - 9, - 9 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 4, - 6, - 6, - 6, - 6 - ], - "n": [ - 1.25993633881, - -2.60818574641, - 0.00982122542463, - -1.06085385839, - 1.2282036351, - 0.118000776439, - -0.000698956926463, - -0.0355428373358, - 0.00197169579643, - -0.00848363012252, - 0.00417997567653, - -0.000242772533848, - 0.00313371368974, - 3.96182646586e-06, - 0.339736319502, - -0.203010634531, - -0.1060178599, - 0.45156488259, - -0.339265767612, - 0.114338523359, - 0.0319537833995, - 0.036790825978, - -9.61768948364e-06, - 0.00246717966418, - -0.00167030256045, - 0.00240710110806, - 0.00156214678738, - -0.00323352596704 - ], - "t": [ - 0.5, - 1.5, - 5, - 1, - 1.5, - 0, - 5, - 2, - 3, - 1, - 2, - 4, - 1, - 4, - 5, - 6, - 3.5, - 5.5, - 7.5, - 3, - 2.5, - 5, - 1.5, - 11, - 9, - 13, - 5, - 9 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Ethane" - }, - "molarweight": 30.069039999999998, - "tc": 305.322, - "rhoc": 6856.886685, - "ideal_gas": [ - { - "a1": 9.212802589, - "a2": -4.68224855, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.003039265, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 1.117433359, - 3.467773215, - 6.94194464, - 5.970850948 - ], - "t": [ - 1.409105233, - 4.009917071, - 6.596709834, - 13.97981027 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -12.3066235581354, - "a2": 7.93255065878148, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 2, - 2, - 4, - 1, - 1, - 2, - 2, - 3, - 6, - 6, - 7, - 9, - 10, - 2, - 4, - 4, - 5, - 5, - 6, - 8, - 9, - 2, - 3, - 3, - 3, - 4, - 4, - 5, - 5, - 6, - 11, - 14, - 3, - 3, - 4, - 8, - 10 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 3, - 3, - 3, - 3, - 3, - 3, - 3, - 3, - 4, - 4, - 4, - 4, - 4 - ], - "n": [ - 0.83440745735241, - -1.4287360607171, - 0.34430242210927, - -0.42096677920265, - 0.012094500886549, - -0.57976201597341, - -0.033127037870838, - -0.1175165489413, - -0.11160957833067, - 0.062181592654406, - 0.098481795434443, - -0.098268582682358, - -0.00023977831007049, - 0.00069885663328821, - 1.9665987803305e-05, - -0.014586152207928, - 0.046354100536781, - 0.0060764622180645, - -0.0026447330147828, - -0.042931872689904, - 0.0029987786517263, - 0.005291933517501, - -0.0010383897798198, - -0.054260348214694, - -0.21959362918493, - 0.35362456650354, - -0.12477390173714, - 0.18425693591517, - -0.16192256436754, - -0.082770876149064, - 0.050160758096437, - 0.0093614326336655, - -0.00027839186242864, - 2.3560274071481e-05, - 0.0039238329738527, - -0.00076488325813618, - -0.004994430444073, - 0.0018593386407186, - -0.00061404353331199 - ], - "t": [ - 0.25, - 1, - 0.25, - 0.75, - 0.75, - 2, - 4.25, - 0.75, - 2.25, - 3, - 1, - 1.25, - 2.75, - 1, - 2, - 2.5, - 5.5, - 7, - 0.5, - 5.5, - 2.5, - 4, - 2, - 10, - 16, - 18, - 20, - 14, - 18, - 12, - 19, - 7, - 15, - 9, - 26, - 28, - 28, - 22, - 13 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 150, - 150, - 150, - 275, - 400 - ], - "d": [ - 1, - 1, - 3, - 3, - 2 - ], - "epsilon": [ - 1, - 1, - 1, - 1, - 1 - ], - "eta": [ - 15, - 15, - 15, - 20, - 20 - ], - "gamma": [ - 1.05, - 1.05, - 1.05, - 1.22, - 1.16 - ], - "n": [ - -0.0023312179367924, - 0.002930104790876, - -0.00026912472842883, - 184.13834111814, - -10.397127984854 - ], - "t": [ - 0, - 3, - 3, - 0, - 3 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "HeavyWater" - }, - "molarweight": 20.027508, - "tc": 643.847, - "rhoc": 17775.55, - "ideal_gas": [ - { - "a1": -8.670994022646008, - "a2": 6.960335784587801, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.0, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 0.010633, - 0.99787, - 2.1483, - 0.3549 - ], - "t": [ - 0.47837452065475183, - 2.632613027629235, - 6.1334447469662825, - 16.023993277906087 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 2, - 3, - 1, - 1, - 3, - 2, - 2, - 1 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 2, - 2, - 1, - 2, - 2 - ], - "n": [ - 0.012208206, - 2.9695687, - -3.7900454, - 0.9410896, - -0.92246625, - -0.013960419, - -0.12520357, - -5.553915, - -4.9300974, - -0.035947024, - -9.3617287, - -0.69183515 - ], - "t": [ - 1.0, - 0.6555, - 0.9369, - 0.561, - 0.7017, - 1.0672, - 3.9515, - 4.6, - 5.159, - 0.2, - 5.4644, - 2.366 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.42, - 2.4318, - 1.2888, - 8.271, - 0.3673, - 0.9504, - 7.8318, - 3.3281, - 7.1753, - 0.9465, - 1177.0, - 1167.0 - ], - "d": [ - 1, - 3, - 1, - 3, - 1, - 1, - 2, - 2, - 2, - 1, - 1, - 1 - ], - "epsilon": [ - 1.8663, - 0.2895, - 0.5803, - 0.2236, - 0.6815, - 0.9495, - 1.1158, - 0.1607, - 0.4144, - 0.9683, - 0.9488, - 0.9487 - ], - "eta": [ - 0.6014, - 1.4723, - 1.5305, - 2.4297, - 1.3086, - 1.3528, - 3.4456, - 1.2645, - 2.5547, - 1.2148, - 18.738, - 18.677 - ], - "gamma": [ - 1.5414, - 1.3794, - 1.7385, - 1.3045, - 2.7242, - 3.5321, - 2.4552, - 0.8319, - 1.35, - 2.5617, - 1.0491, - 1.0486 - ], - "n": [ - -0.04561106, - -2.245133, - 8.6000607, - -2.4841042, - 16.44769, - 2.7039336, - 37.563747, - -1.7760776, - 2.2092464, - 5.19652, - 0.4210974, - -0.3919211 - ], - "t": [ - 3.4553, - 1.415, - 1.5745, - 3.454, - 3.8106, - 4.895, - 1.43, - 1.587, - 3.79, - 2.62, - 1.9, - 4.32 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Oxygen" - }, - "molarweight": 31.9988, - "tc": 154.581, - "rhoc": 13630, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.51808732, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 1.02323928, - 0.784357918, - 0.00337183363, - -0.0170864084, - 0.0463751562 - ], - "t": [ - 14.5316979447668, - 72.8419165356674, - 7.7710849975094, - 0.446425786480874, - 34.4677188658373 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -14.716836666461498, - "a2": -0.011083985429237124, - "reference": "CUSTOM", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3, - 3, - 6, - 7, - 7, - 8, - 1, - 1, - 2, - 2, - 3, - 3, - 5, - 6, - 7, - 8, - 10, - 2, - 3, - 3, - 4, - 4, - 5, - 5, - 5 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 4, - 4, - 4, - 4, - 4, - 4, - 4, - 4 - ], - "n": [ - 0.3983768749, - -1.846157454, - 0.4183473197, - 0.02370620711, - 0.09771730573, - 0.03017891294, - 0.02273353212, - 0.01357254086, - -0.04052698943, - 0.0005454628515, - 0.0005113182277, - 2.953466883e-07, - -8.687645072e-05, - -0.2127082589, - 0.08735941958, - 0.127550919, - -0.09067701064, - -0.03540084206, - -0.03623278059, - 0.0132769929, - -0.0003254111865, - -0.008313582932, - 0.002124570559, - -0.0008325206232, - -2.626173276e-05, - 0.002599581482, - 0.009984649663, - 0.002199923153, - -0.02591350486, - -0.1259630848, - 0.1478355637, - -0.01011251078 - ], - "t": [ - 0, - 1.5, - 2.5, - -0.5, - 1.5, - 2, - 0, - 1, - 2.5, - 0, - 2, - 5, - 2, - 5, - 6, - 3.5, - 5.5, - 3, - 7, - 6, - 8.5, - 4, - 6.5, - 5.5, - 22, - 11, - 18, - 11, - 23, - 17, - 18, - 23 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "OrthoHydrogen" - }, - "molarweight": 2.01594, - "tc": 33.22, - "rhoc": 15444.54031369981, - "ideal_gas": [ - { - "a1": -1.4675442336, - "a2": 1.8845068862, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "Tcrit": 33.22, - "Tcrit_units": "K", - "n": [ - 2.54151, - -2.3661, - 1.00365, - 1.22447 - ], - "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", - "v": [ - 856, - 1444, - 2194, - 6968 - ] - }, - { - "a1": -4.134063606938863, - "a2": 3.2473248589350554, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 4, - 1, - 1, - 2, - 2, - 3, - 1, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1 - ], - "n": [ - -6.83148, - 0.01, - 2.11505, - 4.38353, - 0.211292, - -1.00939, - 0.142086, - -0.87696, - 0.804927 - ], - "t": [ - 0.7333, - 1, - 1.1372, - 0.5136, - 0.5638, - 1.6248, - 1.829, - 2.404, - 2.105 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.4555, - 0.4046, - 0.0869, - 0.4415, - 0.5743 - ], - "d": [ - 2, - 1, - 3, - 1, - 1 - ], - "epsilon": [ - 0.6366, - 0.3876, - 0.9437, - 0.3976, - 0.9626 - ], - "eta": [ - 1.169, - 0.894, - 0.04, - 2.072, - 1.306 - ], - "gamma": [ - 1.5444, - 0.6627, - 0.763, - 0.6587, - 1.4327 - ], - "n": [ - -0.710775, - 0.0639688, - 0.0710858, - -0.087654, - 0.647088 - ], - "t": [ - 4.1, - 7.658, - 1.259, - 7.589, - 3.946 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "CarbonMonoxide" - }, - "molarweight": 28.0101, - "tc": 132.86, - "rhoc": 10850, - "ideal_gas": [ - { - "a1": -3.3728318564, - "a2": 3.3683460039, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -9.111274701235156e-05 - ], - "t": [ - -1.5 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 1.0128 - ], - "t": [ - 23.25003763359927 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.90554, - -2.4515, - 0.53149, - 0.024173, - 0.072156, - 0.00018818, - 0.19405, - -0.043268, - -0.12778, - -0.027896, - -0.034154, - 0.016329 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R143a" - }, - "molarweight": 84.041, - "tc": 345.857, - "rhoc": 5128.45, - "ideal_gas": [ - { - "a1": 5.903087, - "a2": 7.307253, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 273.15, - "Tc": 345.857, - "c": [ - 1.0578 - ], - "t": [ - 0.33 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "n": [ - 4.4402, - 3.7515 - ], - "t": [ - 5.178440800677737, - 2.379596191489546 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -20.4128125563124, - "a2": 4.0000801727654, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 5, - 1, - 3, - 5, - 7, - 1, - 2, - 2, - 3, - 4, - 2, - 3, - 5 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3 - ], - "n": [ - 7.7736443, - -8.70185, - -0.27779799, - 0.1460922, - 0.0089581616, - -0.20552116, - 0.10653258, - 0.023270816, - -0.013247542, - -0.04279387, - 0.36221685, - -0.25671899, - -0.092326113, - 0.083774837, - 0.017128445, - -0.01725611, - 0.0049080492 - ], - "t": [ - 0.67, - 0.833, - 1.7, - 1.82, - 0.35, - 3.9, - 0.95, - 0, - 1.19, - 7.2, - 5.9, - 7.65, - 7.5, - 7.45, - 15.5, - 22, - 19 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R115" - }, - "molarweight": 154.46641599999998, - "tc": 353.1, - "rhoc": 3980.0, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 7.142, - 10.61 - ], - "t": [ - 0.8184650240725007, - 3.6845086377796656 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -13.405002276849826, - "a2": 10.001553773783856, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 3, - 7, - 1, - 2, - 5, - 1, - 1, - 4, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 2, - 2, - 2, - 3 - ], - "n": [ - 1.20873, - -3.5446, - 0.745302, - 0.114128, - 0.000436572, - 0.988385, - 1.13878, - -0.0215633, - -0.63023, - 0.0167901, - -0.149412, - -0.0271153 - ], - "t": [ - 0.25, - 1.25, - 1.5, - 0.25, - 0.875, - 2.375, - 2.0, - 2.125, - 3.5, - 6.5, - 4.75, - 12.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "DimethylCarbonate" - }, - "molarweight": 90.0779, - "tc": 557, - "rhoc": 4000, - "ideal_gas": [ - { - "a1": 4.9916462, - "a2": -0.1709449, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 8.28421, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 1.48525, - 0.822585, - 16.2453, - 1.15925 - ], - "t": [ - 0.03770197486535009, - 2.405745062836625, - 3.001795332136445, - 13.27648114901257 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 5, - 1, - 1, - 2, - 3, - 4, - 1, - 2, - 7, - 1, - 2, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 2, - 2, - 2 - ], - "n": [ - 0.00052683187, - 1.353396, - -2.649283, - -0.2785412, - 0.1742554, - 0.031606252, - 0.399866, - 1.178144, - -0.0235281, - -1.015, - -0.7880436, - -0.12696 - ], - "t": [ - 1, - 0.227, - 1.05, - 1.06, - 0.5, - 0.78, - 1.3, - 1.347, - 0.706, - 2, - 2.5, - 4.262 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.24, - 0.821, - 15.45, - 2.21, - 437, - 0.743 - ], - "d": [ - 1, - 1, - 2, - 2, - 3, - 3 - ], - "epsilon": [ - 0.6734, - 0.9239, - 0.8636, - 1.0507, - 0.8482, - 0.7522 - ], - "eta": [ - 0.9667, - 1.5154, - 1.0591, - 1.6642, - 12.4856, - 0.9662 - ], - "gamma": [ - 1.2827, - 0.4317, - 1.1217, - 1.1871, - 1.1243, - 0.4203 - ], - "n": [ - 1.2198, - -0.4883, - -0.0033293, - -0.0035387, - -0.51172, - -0.16882 - ], - "t": [ - 1, - 2.124, - 0.4, - 3.5, - 0.5, - 2.7 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "n-Heptane" - }, - "molarweight": 100.202, - "tc": 540.13, - "rhoc": 2315.323047444163, - "ideal_gas": [ - { - "a1": -1.599437140443368, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 371.533277446, - "Tc": 540.13, - "c": [ - 4, - 13.7266, - 169.789, - 30.4707, - 836.195 - ], - "type": "IdealGasHelmholtzCP0AlyLee" - }, - { - "T0": 371.533277446, - "Tc": 540.13, - "c": [ - 0, - 43.5561, - 1760.46, - 0, - 0 - ], - "type": "IdealGasHelmholtzCP0AlyLee" - }, - { - "a1": 12.1096994176959, - "a2": 0.37483941500785, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 1.0543748, - -2.6500682, - 0.81730048, - -0.30451391, - 0.12253869, - 0.00027266473, - 0.49865826, - -0.00071432815, - -0.54236896, - -0.13801822, - -0.0061595287, - 0.0004860251 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R245fa" - }, - "molarweight": 134.04794, - "tc": 427.01, - "rhoc": 3875, - "ideal_gas": [ - { - "a1": -13.4283638514, - "a2": 9.87236538, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 5.5728, - 10.385, - 12.554 - ], - "t": [ - 0.5197115834815994, - 2.364453600524394, - 5.735555763648281 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.057506623, - 1.5615975, - -2.3614485, - -0.51773521, - 0.18509788, - -0.87405626, - -0.27530955, - 0.57971151, - -0.39934306, - -0.033230277 - ], - "t": [ - 1.0, - 0.27, - 0.9, - 1.09, - 0.4, - 2.9, - 1.7, - 0.8, - 3.6, - 1.05 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.879, - 2.454, - 1.256, - 21.1 - ], - "d": [ - 1, - 1, - 3, - 3 - ], - "epsilon": [ - 0.709, - 0.939, - 0.703, - 0.777 - ], - "eta": [ - 1.011, - 1.447, - 1.079, - 7.86 - ], - "gamma": [ - 1.081, - 0.651, - 0.468, - 1.293 - ], - "n": [ - 0.83210508, - -0.335443, - -0.10117801, - -0.0091495867 - ], - "t": [ - 1.8, - 4.0, - 4.5, - 2.0 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "o-Xylene" - }, - "molarweight": 106.16499999999999, - "tc": 630.259, - "rhoc": 2684.500000000001, - "ideal_gas": [ - { - "a1": 10.137376, - "a2": -0.91282993, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.748798, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 4.754892, - 6.915052, - 25.84813, - 10.93886 - ], - "t": [ - 0.3569960920827787, - 0.9948291099373432, - 2.738556688599449, - 7.83963418213782 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 5, - 1, - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.0036765156, - -0.13918171, - 0.014104203, - 1.5398899, - -2.3600925, - -0.44359159, - 0.19596977, - -1.0909408, - -0.21890801, - 1.1179223, - -0.93563815, - -0.018102996 - ], - "t": [ - 1, - 0.6, - 0.91, - 0.3, - 0.895, - 1.167, - 0.435, - 2.766, - 3.8, - 1.31, - 3, - 0.77 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 2.442, - 1.342, - 3, - 450 - ], - "d": [ - 1, - 1, - 3, - 3 - ], - "epsilon": [ - 0.552, - 0.728, - 0.498, - 0.894 - ], - "eta": [ - 1.1723, - 1.095, - 1.6166, - 20.4 - ], - "gamma": [ - 1.2655, - 0.3959, - 0.7789, - 1.162 - ], - "n": [ - 1.4172368, - -0.57134695, - -0.081944041, - -40.682878 - ], - "t": [ - 1.41, - 4.8, - 1.856, - 2 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "MethylPalmitate" - }, - "molarweight": 270.45066, - "tc": 755, - "rhoc": 897, - "ideal_gas": [ - { - "a1": -1, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298, - "Tc": 755, - "c": [ - 14.49629032366697 - ], - "t": [ - 0.0801627 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "n": [ - 41.56848444495333, - 34.76324173080383, - 36.27879196658549 - ], - "t": [ - 3.910423841059603, - 0.9730503311258278, - 2.110662251655629 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 50.7611531834779, - "a2": -21.442651306684, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.04282821, - 2.443162, - -3.75754, - -0.1588526, - 0.0405599, - -1.52409, - -0.7686167, - 1.79995, - -1.590967, - -0.01267681 - ], - "t": [ - 1, - 0.36, - 1.22, - 1.45, - 0.7, - 3, - 3.9, - 2.2, - 2.9, - 1.25 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.9, - 0.65, - 0.75 - ], - "d": [ - 1, - 1, - 3 - ], - "epsilon": [ - 0.79, - 0.9, - 0.76 - ], - "eta": [ - 1.1, - 1.6, - 1.1 - ], - "gamma": [ - 1.14, - 0.65, - 0.77 - ], - "n": [ - 2.198347, - -0.7737211, - -0.431452 - ], - "t": [ - 2.6, - 3, - 3.2 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R12" - }, - "molarweight": 120.91300000000001, - "tc": 385.12, - "rhoc": 4672.781255944357, - "ideal_gas": [ - { - "a1": 10.0100905, - "a2": -4.66434985, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.00361975, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 3.16062357, - 0.371258136, - 3.56226039, - 2.12152336 - ], - "t": [ - 3.72204562, - 6.30985083, - 1.78037889, - 1.07087607 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -24.7279903483588, - "a2": 14.0673715241366, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 4, - 6, - 8, - 1, - 1, - 5, - 7, - 12, - 12, - 14, - 1, - 9, - 1, - 1, - 3, - 3, - 5, - 9 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 3, - 3, - 3, - 3, - 3, - 4 - ], - "n": [ - 2.075343402, - -2.962525996, - 0.01001589616, - 0.01781347612, - 0.02556929157, - 0.002352142637, - -8.495553314e-05, - -0.01535945599, - -0.2108816776, - -0.01654228806, - -0.0118131613, - -4.16029583e-05, - 2.784861664e-05, - 1.618686433e-06, - -0.1064614686, - 0.0009369665207, - 0.02590095447, - -0.04347025025, - 0.1012308449, - -0.1100003438, - -0.003361012009, - 0.0003789190008 - ], - "t": [ - 0.5, - 1, - 2, - 2.5, - -0.5, - 0, - 0, - -0.5, - 1.5, - 2.5, - -0.5, - 0, - 0.5, - -0.5, - 4, - 4, - 2, - 4, - 12, - 14, - 0, - 14 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Benzene" - }, - "molarweight": 78.1118, - "tc": 562.02, - "rhoc": 3902, - "ideal_gas": [ - { - "a1": -0.6740687105, - "a2": 2.5560188958, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.94645, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 7.36374, - 18.649, - 4.01834 - ], - "t": [ - 7.32358279064802, - 2.6885164229031, - 1.120956549588983 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -2.8421709430404e-12, - "a2": 4.99600884354027e-11, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.03513062, - 2.229707, - -3.100459, - -0.5763224, - 0.2504179, - -0.7049091, - -0.1393433, - 0.8319673, - -0.3310741, - -0.02793578 - ], - "t": [ - 1, - 0.3, - 0.744, - 1.174, - 0.68, - 2.5, - 3.67, - 1.26, - 2.6, - 0.95 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.867, - 1.766, - 1.824, - 297.5 - ], - "d": [ - 1, - 1, - 3, - 3 - ], - "epsilon": [ - 0.7289, - 0.9074, - 0.7655, - 0.8711 - ], - "eta": [ - 1.032, - 1.423, - 1.071, - 14.35 - ], - "gamma": [ - 1.118, - 0.6392, - 0.6536, - 1.164 - ], - "n": [ - 0.7087408, - -0.3723906, - -0.06267414, - -0.86295 - ], - "t": [ - 1, - 2.47, - 3.35, - 0.75 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "MD3M" - }, - "molarweight": 384.839, - "tc": 628.0, - "rhoc": 700, - "ideal_gas": [ - { - "a1": 68.11672041661723, - "a2": -29.80919654255515, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.0, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 81.2386, - 61.191, - 51.1798 - ], - "t": [ - 0.9713375796178344, - 3.9808917197452227, - 11.94267515923567 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.040674325, - 4.4936509, - -6.0327468, - -1.0842396, - 0.65985153, - -2.3011802, - -1.5022099, - 0.5051725, - -2.2363839, - -0.071582853 - ], - "t": [ - 1.0, - 0.37, - 0.718, - 0.79, - 0.59, - 2.38, - 3.14, - 0.62, - 2.08, - 1.042 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.86, - 1099.0, - 0.95, - 0.1, - 1.85 - ], - "d": [ - 1, - 1, - 3, - 2, - 2 - ], - "epsilon": [ - 0.725, - 0.94, - 0.546, - 0.68, - 0.495 - ], - "eta": [ - 1.043, - 20.0, - 1.08, - 0.47, - 1.085 - ], - "gamma": [ - 1.357, - 1.097, - 1.03, - 1.02, - 0.8 - ], - "n": [ - 4.7053488, - -0.774783117, - -0.68302991, - 0.41657104, - -1.1441135 - ], - "t": [ - 0.9, - 0.86, - 2.06, - 0.55, - 0.69 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "n-Butane" - }, - "molarweight": 58.1222, - "tc": 425.125, - "rhoc": 3922.769612987809, - "ideal_gas": [ - { - "a1": 12.54882924, - "a2": -5.46976878, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.24680487, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 5.54913289, - 11.4648996, - 7.59987584, - 9.66033239 - ], - "t": [ - 0.774840445, - 3.340602552, - 4.970513096, - 9.975553778 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -17.9737888338978, - "a2": 10.3892639083242, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 4, - 4, - 1, - 1, - 2, - 7, - 8, - 8, - 1, - 2, - 3, - 3, - 4, - 5, - 5, - 10, - 2, - 6 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 3, - 3 - ], - "n": [ - 2.5536998241635, - -4.4585951806696, - 0.82425886369063, - 0.11215007011442, - -0.035910933680333, - 0.016790508518103, - 0.032734072508724, - 0.95571232982005, - -1.0003385753419, - 0.085581548803855, - -0.025147918369616, - -0.0015202958578918, - 0.004706068232642, - -0.097845414174006, - -0.04831790415876, - 0.17841271865468, - 0.018173836739334, - -0.11399068074953, - 0.019329896666669, - 0.001157587740101, - 0.00015253808698116, - -0.043688558458471, - -0.0082403190629989 - ], - "t": [ - 0.5, - 1, - 1.5, - 0, - 0.5, - 0.5, - 0.75, - 2, - 2.5, - 2.5, - 1.5, - 1, - 1.5, - 4, - 7, - 3, - 7, - 3, - 1, - 6, - 0, - 6, - 13 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 150, - 200 - ], - "d": [ - 1, - 2 - ], - "epsilon": [ - 0.85, - 1 - ], - "eta": [ - 10, - 10 - ], - "gamma": [ - 1.16, - 1.13 - ], - "n": [ - -0.028390056949441, - 0.0014904666224681 - ], - "t": [ - 2, - 0 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R125" - }, - "molarweight": 120.0214, - "tc": 339.173, - "rhoc": 4779, - "ideal_gas": [ - { - "a1": 37.2674, - "a2": 8.88404, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -49.8651 - ], - "t": [ - -0.1 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 2.303, - 5.086, - 7.3 - ], - "t": [ - 0.92578, - 2.22895, - 5.03283 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 4, - 1, - 1, - 2, - 2, - 3, - 4, - 5, - 1, - 5, - 1, - 2, - 3, - 5 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 3, - 2, - 3, - 3 - ], - "m": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1.7, - 7, - 6 - ], - "n": [ - 5.28076, - -8.67658, - 0.7501127, - 0.7590023, - 0.01451899, - 4.777189, - -3.330988, - 3.775673, - -2.290919, - 0.8888268, - -0.6234864, - -0.04127263, - -0.08455389, - -0.1308752, - 0.008344962, - -1.532005, - -0.05883649, - 0.02296658 - ], - "t": [ - 0.669, - 1.05, - 2.75, - 0.956, - 1, - 2, - 2.75, - 2.38, - 3.37, - 3.47, - 2.63, - 3.45, - 0.72, - 4.23, - 0.2, - 4.5, - 29, - 24 - ], - "type": "ResidualHelmholtzLemmon2005" - } - ] - }, - { - "identifier": { - "name": "R404A" - }, - "molarweight": 97.6038, - "tc": 345.27, - "rhoc": 4939.999999999999, - "ideal_gas": [ - { - "a1": 7.00407, - "a2": 7.98695, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -18.8664 - ], - "t": [ - -0.3 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 0.63078, - 3.5979, - 5.0335 - ], - "t": [ - 1.19617, - 2.32861, - 5.00188 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 2, - 4, - 6, - 1, - 1, - 1, - 2, - 2, - 3, - 4, - 7, - 2, - 3, - 4, - 4, - 2, - 3, - 5 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3, - 3, - 3 - ], - "n": [ - 6.10984, - -7.79453, - 0.0183377, - 0.26227, - -0.00351688, - 0.0116181, - 0.00105992, - 0.850922, - -0.520084, - -0.0464225, - 0.62119, - -0.195505, - 0.336159, - -0.0376062, - -0.00636579, - -0.0758262, - -0.0221041, - 0.0310441, - 0.0132798, - 0.0689437, - -0.0507525, - 0.0161382 - ], - "t": [ - 0.67, - 0.91, - 5.96, - 0.7, - 6, - 0.3, - 0.7, - 1.7, - 3.3, - 7, - 2.05, - 4.3, - 2.7, - 1.8, - 1.25, - 12, - 6, - 8.7, - 11.6, - 13, - 17, - 16 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Hydrogen" - }, - "molarweight": 2.0158799999999997, - "tc": 33.145, - "rhoc": 15508, - "ideal_gas": [ - { - "a1": -1.4579856475, - "a2": 1.888076782, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "Tcrit": 33.145, - "Tcrit_units": "K", - "n": [ - 1.616, - -0.4117, - -0.792, - 0.758, - 1.217 - ], - "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", - "v": [ - 531, - 751, - 1989, - 2484, - 6859 - ] - } - ], - "residual": [ - { - "d": [ - 1, - 4, - 1, - 1, - 2, - 2, - 3, - 1, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1 - ], - "n": [ - -6.93643, - 0.01, - 2.1101, - 4.52059, - 0.732564, - -1.34086, - 0.130985, - -0.777414, - 0.351944 - ], - "t": [ - 0.6844, - 1, - 0.989, - 0.489, - 0.803, - 1.1444, - 1.409, - 1.754, - 1.311 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.171, - 0.2245, - 0.1304, - 0.2785, - 0.3967 - ], - "d": [ - 2, - 1, - 3, - 1, - 1 - ], - "epsilon": [ - 1.506, - 0.156, - 1.736, - 0.67, - 1.662 - ], - "eta": [ - 1.685, - 0.489, - 0.103, - 2.506, - 1.607 - ], - "gamma": [ - 0.7164, - 1.3444, - 1.4517, - 0.7204, - 1.5445 - ], - "n": [ - -0.0211716, - 0.0226312, - 0.032187, - -0.0231752, - 0.0557346 - ], - "t": [ - 4.187, - 5.646, - 0.791, - 7.249, - 2.986 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "D4" - }, - "molarweight": 296.61576, - "tc": 586.5, - "rhoc": 1043, - "ideal_gas": [ - { - "_note": "a1 and a2 calculated by IB. Values in Thol thesis incorrect", - "a1": 71.1636049792958, - "a2": -21.6743650975623, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 0.292757, - 38.2456, - 58.975 - ], - "t": [ - 0.06820119352088662, - 0.3410059676044331, - 3.0690537084398977 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.05273743, - 4.176401, - -4.73707, - -1.289588, - 0.5272749, - -2.558391, - -0.9726737, - 0.7208209, - -0.4789456, - -0.05563239 - ], - "t": [ - 1.0, - 0.27, - 0.51, - 0.998, - 0.56, - 1.75, - 3.09, - 0.79, - 2.71, - 0.998 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.75, - 0.55, - 1, - 0.47, - 1.36 - ], - "d": [ - 1, - 1, - 3, - 2, - 2 - ], - "epsilon": [ - 0.926, - 1.3, - 1.114, - 0.996, - 0.483 - ], - "eta": [ - 0.861, - 1.114, - 1.01, - 1.11, - 1.032 - ], - "gamma": [ - 1.124, - 1.388, - 1.148, - 1.197, - 0.817 - ], - "n": [ - 3.766589, - 0.08786997, - -0.1267646, - -1.004246, - -1.641887 - ], - "t": [ - 0.93, - 3.17, - 1.08, - 1.41, - 0.89 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "SES36" - }, - "molarweight": 184.85, - "tc": 450.7, - "rhoc": 2800, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 12.09, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 85.26 - ], - "t": [ - 4.874639449744842 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -24.5714365589605, - "a2": 9.90994603225193, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.0675748, - 1.76939, - -2.7609, - -0.566938, - 0.243576, - -1.50937, - -0.774081, - 0.953907, - -1.43736, - -0.0458514 - ], - "t": [ - 1, - 0.3, - 0.947, - 1.08, - 0.44, - 1.7, - 1.5, - 1.35, - 2.1, - 0.97 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.7, - 1.55, - 1.07, - 87 - ], - "d": [ - 1, - 1, - 3, - 3 - ], - "epsilon": [ - 0.713, - 0.917, - 0.69, - 0.748 - ], - "eta": [ - 1.023, - 1.383, - 1, - 7 - ], - "gamma": [ - 1.1, - 0.64, - 0.5, - 1.26 - ], - "n": [ - 2.46053, - -0.903158, - -0.288664, - 0.061038 - ], - "t": [ - 0.8, - 2, - 2.5, - 4 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "ParaHydrogen" - }, - "molarweight": 2.0158799999999997, - "tc": 32.938, - "rhoc": 15538, - "ideal_gas": [ - { - "a1": -1.4485891134, - "a2": 1.884521239, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "Tcrit": 32.938, - "Tcrit_units": "K", - "n": [ - 4.30256, - 13.0289, - -47.7365, - 50.0013, - -18.6261, - 0.993973, - 0.536078 - ], - "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", - "v": [ - 499, - 826.5, - 970.8, - 1166.2, - 1341.4, - 5395, - 10185 - ] - } - ], - "residual": [ - { - "d": [ - 1, - 4, - 1, - 1, - 2, - 2, - 3, - 1, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1 - ], - "n": [ - -7.33375, - 0.01, - 2.60375, - 4.66279, - 0.68239, - -1.47078, - 0.135801, - -1.05327, - 0.328239 - ], - "t": [ - 0.6855, - 1, - 1, - 0.489, - 0.774, - 1.133, - 1.386, - 1.619, - 1.162 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.194, - 0.2019, - 0.0301, - 0.2383, - 0.3253 - ], - "d": [ - 2, - 1, - 3, - 1, - 1 - ], - "epsilon": [ - 1.5487, - 0.1785, - 1.28, - 0.6319, - 1.7104 - ], - "eta": [ - 1.7437, - 0.5516, - 0.0634, - 2.1341, - 1.777 - ], - "gamma": [ - 0.8048, - 1.5248, - 0.6648, - 0.6832, - 1.493 - ], - "n": [ - -0.0577833, - 0.0449743, - 0.0703464, - -0.0401766, - 0.11951 - ], - "t": [ - 3.96, - 5.276, - 0.99, - 6.791, - 3.19 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R113" - }, - "molarweight": 187.375, - "tc": 487.21, - "rhoc": 2988.659106070714, - "ideal_gas": [ - { - "a1": 13.1479282, - "a2": -5.4053715, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.9999966, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 12.4464495, - 2.72181845, - 0.692712415, - 3.32248298 - ], - "t": [ - 1.04971737, - 3.29788641, - 8.62650812, - 3.29670446 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -35.0036997726949, - "a2": 17.3478156256033, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 2, - 3, - 4, - 8, - 8, - 3, - 3, - 3, - 5, - 1, - 2, - 2, - 9, - 3, - 7, - 8 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3, - 3, - 4 - ], - "n": [ - 0.8432092286, - -2.019185967, - 0.2920612996, - 0.05323107661, - 0.003214971931, - 4.667858574e-05, - -1.227522799e-06, - 0.8167288718, - -1.340790803, - 0.4065752705, - -0.1534754634, - -0.02414435149, - -0.02113056197, - -0.03565436205, - 0.001364654968, - -0.01251838755, - -0.001385761351, - 0.0007206335486 - ], - "t": [ - 0.5, - 1.5, - 1.5, - -0.5, - 2, - 0, - 3, - -0.5, - 0, - 2, - 1.5, - 6, - 2, - 10, - 6, - 18, - 15, - 33 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R161" - }, - "molarweight": 48.0595, - "tc": 375.25, - "rhoc": 6280, - "ideal_gas": [ - { - "a1": -6.9187, - "a2": 5.4788, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 2.059, - 9.253, - 6.088 - ], - "t": [ - 1.11925383077948, - 4.125249833444371, - 10.34510326449034 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 4.21805657510139e-05, - "a2": -4.5424171382829e-06, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 2, - 3, - 4, - 2, - 7, - 1, - 2, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 2 - ], - "n": [ - 1.511, - -2.3, - -0.457, - 0.1683, - 0.04133, - 0.62187, - -0.0265, - -1.03, - -0.285, - -0.476 - ], - "t": [ - 0.37, - 0.97, - 1.14, - 0.744, - 1, - 1.26, - 1, - 1.8, - 3, - 2.25 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 2.7, - 5.2, - 3.9, - 4.7, - 413 - ], - "d": [ - 1, - 1, - 3, - 3, - 3 - ], - "epsilon": [ - 0.683, - 0.892, - 0.785, - 1.33, - 0.86 - ], - "eta": [ - 0.96, - 1.35, - 1.26, - 1.23, - 16.8 - ], - "gamma": [ - 0.9, - 0.69, - 0.67, - 0.67, - 1.15 - ], - "n": [ - 0.82, - -0.3532, - -0.116, - -0.0220583, - -1.63148 - ], - "t": [ - 1, - 1.2, - 5.3, - 1, - 4 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Methane" - }, - "molarweight": 16.0428, - "tc": 190.564, - "rhoc": 10139.128, - "ideal_gas": [ - { - "a1": 9.91243972, - "a2": -6.33270087, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.0016, - "type": "IdealGasHelmholtzLogTau" - }, - { - "Tcrit": 190.564, - "Tcrit_units": "K", - "n": [ - 0.008449, - 4.6942, - 3.4865, - 1.6572, - 1.4115 - ], - "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", - "v": [ - 648, - 1957, - 3895, - 5705, - 15080 - ] - }, - { - "a1": -12.8829893867948, - "a2": 9.22344625310864, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3, - 4, - 4, - 8, - 9, - 10, - 1, - 1, - 1, - 2, - 4, - 5, - 6, - 1, - 2, - 3, - 4, - 4, - 3, - 5, - 5, - 8, - 2, - 3, - 4, - 4, - 4, - 5, - 6 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 3, - 4, - 4, - 4, - 4, - 4, - 4, - 4 - ], - "n": [ - 0.04367901028, - 0.6709236199, - -1.765577859, - 0.8582330241, - -1.206513052, - 0.512046722, - -0.0004000010791, - -0.01247842423, - 0.03100269701, - 0.001754748522, - -3.171921605e-06, - -2.24034684e-06, - 2.947056156e-07, - 0.1830487909, - 0.1511883679, - -0.4289363877, - 0.06894002446, - -0.01408313996, - -0.0306305483, - -0.02969906708, - -0.01932040831, - -0.1105739959, - 0.09952548995, - 0.008548437825, - -0.06150555662, - -0.04291792423, - -0.0181320729, - 0.0344590476, - -0.00238591945, - -0.01159094939, - 0.06641693602, - -0.0237154959, - -0.03961624905, - -0.01387292044, - 0.03389489599, - -0.002927378753 - ], - "t": [ - -0.5, - 0.5, - 1, - 0.5, - 1, - 1.5, - 4.5, - 0, - 1, - 3, - 1, - 3, - 3, - 0, - 1, - 2, - 0, - 0, - 2, - 2, - 5, - 5, - 5, - 2, - 4, - 12, - 8, - 10, - 10, - 10, - 14, - 12, - 18, - 22, - 18, - 14 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 200, - 250, - 250, - 250 - ], - "d": [ - 2, - 0, - 0, - 0 - ], - "epsilon": [ - 1, - 1, - 1, - 1 - ], - "eta": [ - 20, - 40, - 40, - 40 - ], - "gamma": [ - 1.07, - 1.11, - 1.11, - 1.11 - ], - "n": [ - 9.324799946e-05, - -6.287171518, - 12.71069467, - -6.423953466 - ], - "t": [ - 2, - 0, - 1, - 2 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R1234ze(Z)" - }, - "molarweight": 114.0416, - "tc": 423.27, - "rhoc": 4000.0, - "ideal_gas": [ - { - "a1": -2.422442259, - "a2": 8.190539844, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 4.2365, - 13.063 - ], - "t": [ - 0.047251163559902665, - 3.154015167623503 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.03194509, - 1.394592, - -2.300799, - -0.2556693, - 0.1282934, - -1.335381, - -1.366494, - 0.2004912, - -0.6489709, - -0.02220033 - ], - "t": [ - 1.0, - 0.333, - 1.0, - 1.0, - 0.38, - 2.85, - 3.16, - 0.607, - 2.2, - 1.0 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.563, - 1.724, - 0.806, - 0.505, - 26.4, - 8.82 - ], - "d": [ - 1, - 1, - 3, - 2, - 3, - 2 - ], - "epsilon": [ - 0.933, - 0.786, - 0.496, - 0.327, - 0.523, - 0.308 - ], - "eta": [ - 1.108, - 1.579, - 1.098, - 0.672, - 3.38, - 1.6 - ], - "gamma": [ - 1.246, - 1.05, - 1.0, - 0.677, - 1.302, - 1.274 - ], - "n": [ - 1.66538, - 0.3427048, - -0.6510217, - -0.5067066, - -0.1231787, - 0.08828106 - ], - "t": [ - 1.83, - 3.3, - 1.9, - 2.6, - 2.9, - 3.0 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Ethanol" - }, - "molarweight": 46.06844, - "tc": 514.71, - "rhoc": 5930, - "ideal_gas": [ - { - "a1": -12.7531, - "a2": 9.39094, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.43069, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 2.14326, - 5.09206, - 6.60138, - 5.70777 - ], - "t": [ - 0.816771, - 2.59175, - 3.80408, - 8.58736 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 9.10869959576363, - "a2": -4.32013218872146, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 2, - 3, - 1, - 1, - 1, - 3, - 3, - 2, - 2, - 6, - 6, - 8 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 1, - 2, - 1, - 2, - 1, - 1, - 1 - ], - "n": [ - 0.058200796, - 0.94391227, - -0.80941908, - 0.55359038, - -1.4269032, - 0.13448717, - 0.42671978, - -1.1700261, - -0.92405872, - 0.34891808, - -0.9132772, - 0.022629481, - -0.15513423, - 0.21055146, - -0.2199769, - -0.0065857238 - ], - "t": [ - 1, - 1.04, - 2.72, - 1.174, - 1.329, - 0.195, - 2.43, - 1.274, - 4.16, - 3.3, - 4.177, - 2.5, - 0.81, - 2.02, - 1.606, - 0.86 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.207, - 0.0895, - 0.581, - 0.947, - 2.356, - 27.01, - 4.542, - 1.287, - 3.09 - ], - "d": [ - 1, - 1, - 2, - 3, - 3, - 2, - 2, - 2, - 1 - ], - "epsilon": [ - 0.779, - 0.805, - 1.869, - 0.694, - 1.312, - 2.054, - 0.441, - 0.793, - 0.313 - ], - "eta": [ - 1.075, - 0.463, - 0.876, - 1.108, - 0.741, - 4.032, - 2.453, - 2.3, - 3.143 - ], - "gamma": [ - 1.194, - 1.986, - 1.583, - 0.756, - 0.495, - 1.002, - 1.077, - 1.493, - 1.542 - ], - "n": [ - 0.75564749, - 0.1069411, - -0.069533844, - -0.24947395, - 0.027177891, - -0.0009053953, - -0.12310953, - -0.08977971, - -0.39512601 - ], - "t": [ - 2.5, - 3.72, - 1.19, - 3.25, - 3, - 2, - 2, - 1, - 1 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R365MFC" - }, - "molarweight": 148.07451999999998, - "tc": 460, - "rhoc": 3200, - "ideal_gas": [ - { - "a1": -16.3423704513, - "a2": 10.2889710846, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 17.47, - 16.29 - ], - "t": [ - 1.236956521739131, - 4.852173913043479 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 2, - 2, - 4, - 1, - 3, - 6, - 6, - 2, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2 - ], - "n": [ - 2.20027, - -2.8624, - 0.384559, - -0.621227, - 0.0665967, - -1.19383, - 0.635935, - 0.461728, - -0.533472, - -1.07101, - 0.13929 - ], - "t": [ - 0.24, - 0.67, - 0.5, - 1.25, - 1, - 3.35, - 2.5, - 0.96, - 1.07, - 5.6, - 6.9 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.07, - 1.08, - 10.9, - 22.6 - ], - "d": [ - 1, - 1, - 1, - 2 - ], - "epsilon": [ - 1.02, - 0.62, - 0.53, - 0.48 - ], - "eta": [ - 0.97, - 0.94, - 2.15, - 2.66 - ], - "gamma": [ - 1.48, - 1.49, - 1.01, - 1.16 - ], - "n": [ - -0.385506, - 0.885653, - 0.226303, - -0.166116 - ], - "t": [ - 3, - 3.6, - 5, - 1.25 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "n-Propane" - }, - "molarweight": 44.095620000000004, - "tc": 369.89, - "rhoc": 5000.000000000001, - "ideal_gas": [ - { - "a1": -4.970583, - "a2": 4.29352, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 3.043, - 5.874, - 9.337, - 7.922 - ], - "t": [ - 1.062478, - 3.344237, - 5.363757, - 11.762957 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 2, - 1, - 3, - 6, - 6, - 2, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2 - ], - "n": [ - 0.042910051, - 1.7313671, - -2.4516524, - 0.34157466, - -0.46047898, - -0.66847295, - 0.20889705, - 0.19421381, - -0.22917851, - -0.60405866, - 0.066680654 - ], - "t": [ - 1, - 0.33, - 0.8, - 0.43, - 0.9, - 2.46, - 2.09, - 0.88, - 1.09, - 3.25, - 4.62 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 2.33, - 3.47, - 3.15, - 3.19, - 0.92, - 18.8, - 547.8 - ], - "d": [ - 1, - 1, - 1, - 2, - 2, - 4, - 1 - ], - "epsilon": [ - 1.283, - 0.6936, - 0.788, - 0.473, - 0.8577, - 0.271, - 0.948 - ], - "eta": [ - 0.963, - 1.977, - 1.917, - 2.307, - 2.546, - 3.28, - 14.6 - ], - "gamma": [ - 0.684, - 0.829, - 1.419, - 0.817, - 1.5, - 1.426, - 1.093 - ], - "n": [ - 0.017534618, - 0.33874242, - 0.22228777, - -0.23219062, - -0.09220694, - -0.47575718, - -0.017486824 - ], - "t": [ - 0.76, - 2.5, - 2.75, - 3.05, - 2.55, - 8.4, - 6.75 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R1234ze(E)" - }, - "molarweight": 114.04159279999999, - "tc": 382.513, - "rhoc": 4290, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.0, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 9.3575, - 10.717 - ], - "t": [ - 1.34113088966911, - 5.15538034001459 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -12.5586602313194, - "a2": 8.79132625741231, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.03982797, - 1.812227, - -2.537512, - -0.5333254, - 0.1677031, - -1.323801, - -0.6694654, - 0.8072718, - -0.7740229, - -0.01843846 - ], - "t": [ - 1.0, - 0.223, - 0.755, - 1.24, - 0.44, - 2.0, - 2.2, - 1.2, - 1.5, - 0.9 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.21, - 1.37, - 0.98, - 171, - 47.4, - 15.4 - ], - "d": [ - 1, - 1, - 3, - 3, - 2, - 1 - ], - "epsilon": [ - 0.728, - 0.87, - 0.855, - 0.79, - 1.3, - 0.71 - ], - "eta": [ - 1.0, - 1.61, - 1.24, - 9.34, - 5.78, - 3.08 - ], - "gamma": [ - 0.943, - 0.642, - 0.59, - 1.2, - 1.33, - 0.64 - ], - "n": [ - 1.407916, - -0.4237082, - -0.2270068, - -0.805213, - 0.00994318, - -0.008798793 - ], - "t": [ - 1.33, - 1.75, - 2.11, - 1, - 1.5, - 1 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R507A" - }, - "molarweight": 98.8592, - "tc": 343.765, - "rhoc": 4964.029650250053, - "ideal_gas": [ - { - "a1": 9.93541, - "a2": 7.9985, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -21.6054 - ], - "t": [ - -0.25 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 0.95006, - 4.1887, - 5.5184 - ], - "t": [ - 1.05886, - 2.37081, - 5.14305 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -0.000171976752843711, - "a2": -1.94367029874932e-05, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 2, - 4, - 6, - 1, - 1, - 1, - 2, - 2, - 3, - 4, - 7, - 2, - 3, - 4, - 4, - 2, - 3, - 5 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3, - 3, - 3 - ], - "n": [ - 6.24982, - -8.07855, - 0.0264843, - 0.286215, - -0.00507076, - 0.0109552, - 0.00116124, - 1.38469, - -0.922473, - -0.0503562, - 0.822098, - -0.277727, - 0.358172, - -0.0126426, - -0.0060701, - -0.0815653, - -0.0233323, - 0.0352952, - 0.0159566, - 0.0755927, - -0.0542007, - 0.0170451 - ], - "t": [ - 0.692, - 0.943, - 5.8, - 0.77, - 5.84, - 0.24, - 0.69, - 2, - 3, - 7, - 2.2, - 4.3, - 2.7, - 1.2, - 1.23, - 12, - 6, - 8.5, - 11.5, - 13, - 17, - 16.2 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Ethylene" - }, - "molarweight": 28.05376, - "tc": 282.35, - "rhoc": 7636.76598074554, - "ideal_gas": [ - { - "a1": 8.68815523, - "a2": -4.47960564, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 2.49395851, - 3.0027152, - 2.5126584, - 3.99064217 - ], - "t": [ - 4.43266896, - 5.74840149, - 7.8027825, - 15.5851154 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -12.2225787966305, - "a2": 7.89924916929716, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 2, - 4, - 1, - 1, - 3, - 4, - 5, - 7, - 10, - 11, - 1, - 1, - 2, - 2, - 4, - 4, - 6, - 7, - 4, - 5, - 6, - 6, - 7, - 8, - 9, - 10 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 3, - 4, - 4, - 4, - 4, - 4, - 4, - 4, - 4 - ], - "n": [ - 1.861742910067, - -3.0913708460844, - -0.17384817095516, - 0.08037098569284, - 0.23682707317354, - 0.021922786610247, - 0.11827885813193, - -0.021736384396776, - 0.044007990661139, - 0.12554058863881, - -0.13167945577241, - -0.0052116984575897, - 0.00015236081265419, - -2.4505335342756e-05, - 0.28970524924022, - -0.18075836674288, - 0.15057272878461, - -0.14093151754458, - 0.022755109070253, - 0.014026070529061, - 0.0061697454296214, - -0.00041286083451333, - 0.012885388714785, - -0.069128692157093, - 0.10936225568483, - -0.0081818875271794, - -0.05641847211717, - 0.0016517867750633, - 0.0095904006517001, - -0.0026236572984886 - ], - "t": [ - 0.5, - 1, - 2.5, - 0, - 2, - 0.5, - 1, - 4, - 1.25, - 2.75, - 2.25, - 1, - 0.75, - 0.5, - 2.5, - 3.5, - 4, - 6, - 1.5, - 5, - 4.5, - 15, - 20, - 23, - 22, - 29, - 19, - 15, - 13, - 10 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 325, - 300, - 300, - 300, - 300 - ], - "d": [ - 2, - 2, - 2, - 3, - 3 - ], - "epsilon": [ - 1, - 1, - 1, - 1, - 1 - ], - "eta": [ - 25, - 25, - 25, - 25, - 25 - ], - "gamma": [ - 1.16, - 1.19, - 1.19, - 1.19, - 1.19 - ], - "n": [ - -50.242414011355, - 7484.6420119299, - -6873.4299232625, - -935.77982814338, - 941.33024786113 - ], - "t": [ - 1, - 0, - 1, - 2, - 3 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "MethylLinolenate" - }, - "molarweight": 292.45618, - "tc": 772, - "rhoc": 847.3000000000001, - "ideal_gas": [ - { - "a1": -1, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298, - "Tc": 772, - "c": [ - 9.572622290387171 - ], - "t": [ - 0.214648 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "n": [ - 34.92452677692582, - 9.794043446174333, - 57.11499178781286 - ], - "t": [ - 1.571554404145078, - 0.7496787564766839, - 3.626670984455958 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 49.2444711864376, - "a2": -21.5426591230667, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.04070829, - 2.412375, - -3.756194, - -0.1526466, - 0.04682918, - -1.470958, - -0.76455, - 1.908964, - -1.629366, - -0.01242073 - ], - "t": [ - 1, - 0.15, - 1.24, - 1.6, - 1.28, - 2.9, - 3.15, - 2.16, - 2.8, - 1.4 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.9, - 0.65, - 0.75 - ], - "d": [ - 1, - 1, - 3 - ], - "epsilon": [ - 0.79, - 0.9, - 0.76 - ], - "eta": [ - 1.1, - 1.6, - 1.1 - ], - "gamma": [ - 1.14, - 0.65, - 0.77 - ], - "n": [ - 2.180707, - -0.7537264, - -0.4347781 - ], - "t": [ - 2.5, - 3, - 3.1 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R236EA" - }, - "molarweight": 152.0384, - "tc": 412.44, - "rhoc": 3716.16644216198, - "ideal_gas": [ - { - "a1": -14.121424135, - "a2": 10.2355589225, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.762, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 0.7762, - 10.41, - 12.18, - 3.332 - ], - "t": [ - 0.3491416933372127, - 0.93346911065852, - 3.724178062263602, - 17.26554165454369 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.051074, - 2.5584, - -2.918, - -0.71485, - 0.15534, - -1.5894, - -0.784, - 0.85767, - -0.67235, - -0.017953 - ], - "t": [ - 1, - 0.264, - 0.5638, - 1.306, - 0.2062, - 2.207, - 2.283, - 1.373, - 2.33, - 0.6376 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.3, - 2.479, - 1.068, - 79.85, - 49.06 - ], - "d": [ - 1, - 1, - 3, - 3, - 2 - ], - "epsilon": [ - 0.7119, - 0.9102, - 0.678, - 0.7091, - 1.727 - ], - "eta": [ - 1.019, - 1.341, - 1.034, - 5.264, - 24.44 - ], - "gamma": [ - 1.13, - 0.6691, - 0.465, - 1.28, - 0.8781 - ], - "n": [ - 1.3165, - -0.42023, - -0.28053, - -1.4134, - -6.2617e-06 - ], - "t": [ - 1.08, - 1.67, - 3.502, - 4.357, - 0.6945 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "MDM" - }, - "molarweight": 236.53146, - "tc": 565.3609, - "rhoc": 1134, - "ideal_gas": [ - { - "a1": 117.9946064218, - "a2": -19.6600754238, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 28.817, - 46.951, - 31.054 - ], - "t": [ - 0.0353756335, - 2.7769872306, - 8.3132738751 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.05039724, - 1.189992, - -2.468723, - -0.743856, - 0.4434056, - -1.371359, - -1.529621, - 0.4445898, - -1.009921, - -0.05903694 - ], - "t": [ - 1.0, - 0.188, - 1.03, - 0.7, - 0.464, - 2.105, - 1.376, - 0.8, - 1.8, - 1.005 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.966, - 0.237, - 0.954, - 0.861, - 0.909 - ], - "d": [ - 1, - 1, - 3, - 2, - 2 - ], - "epsilon": [ - 0.928, - 2.081, - 0.282, - 1.496, - 0.805 - ], - "eta": [ - 0.986, - 1.715, - 0.837, - 1.312, - 1.191 - ], - "gamma": [ - 1.25, - 1.438, - 0.894, - 0.9, - 0.899 - ], - "n": [ - 3.515188, - 0.08367608, - 1.646856, - -0.2851917, - -2.457571 - ], - "t": [ - 0.7, - 0.66, - 1.138, - 1.56, - 1.31 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Deuterium" - }, - "molarweight": 4.0282, - "tc": 38.34, - "rhoc": 17230, - "ideal_gas": [ - { - "a1": -2.0677351753, - "a2": 2.4237151502, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -3.54145, - 3.0326, - -3.52422, - -1.73421, - -3.57135, - 2.14858, - 6.23107, - -3.30425, - 6.23098, - -3.57137, - 3.32901, - 0.97782 - ], - "t": [ - 187.1178925404277, - 225.2217005738132, - 23.54460093896714, - 4.723526343244653, - 11.43714136671883, - 131.3041210224309, - 7.039645279081897, - 5.996348461137194, - 17.38132498695879, - 11.81011997913406, - 5.007824726134585, - 30.97548252477829 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 2, - 1, - 1, - 3, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 2, - 2 - ], - "n": [ - 0.006267958, - 10.53609, - -10.14149, - 0.356061, - 0.1824472, - -1.129638, - -0.0549812, - -0.6791329, - 1.347918, - -0.8657582, - 1.719146, - -1.917977, - 0.1233365, - -0.07936891 - ], - "t": [ - 1, - 0.462, - 0.5584, - 0.627, - 1.201, - 0.309, - 1.314, - 1.1166, - 1.25, - 1.25, - 1.395, - 1.627, - 1, - 2.5 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.613, - 0.584, - 0.57, - 1.056, - 1.01, - 1.025, - 1.029 - ], - "d": [ - 1, - 1, - 2, - 3, - 3, - 1, - 3 - ], - "epsilon": [ - 1.46, - 1.7864, - 1.647, - 0.541, - 0.969, - 1.892, - 1.076 - ], - "eta": [ - 0.868, - 0.636, - 0.668, - 0.65, - 0.745, - 0.782, - 0.693 - ], - "gamma": [ - 0.6306, - 0.711, - 0.6446, - 0.8226, - 0.992, - 1.2184, - 1.203 - ], - "n": [ - 1.686617, - -4.240326, - 1.857114, - -0.5903705, - 1.520171, - 2.361373, - -2.297315 - ], - "t": [ - 0.635, - 0.664, - 0.7082, - 2.25, - 1.524, - 0.67, - 0.709 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R14" - }, - "molarweight": 88.0046, - "tc": 227.51, - "rhoc": 7109.4194, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298.15, - "Tc": 227.51, - "c": [ - 3.946282613411975, - -0.008858129431283382, - 0.0001393877086940782, - -3.005436298807747e-07, - 2.050274501811892e-10 - ], - "t": [ - 0, - 1, - 2, - 3, - 4 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": -14.8563435687485, - "a2": 20.1558709204447, - "reference": "OTH", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3, - 4, - 4, - 5, - 0, - 0, - 0 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0 - ], - "n": [ - 1.03999039734947, - -2.4579202542559, - 0.799614558381524, - -0.749498955282594, - 0.152177772596398, - -0.293408332036298, - 0.717794503774445, - -0.0426467444751902, - 0.226562749725952, - -0.39109169477402, - -0.0257394805543082, - 0.0554844886106659, - 0.00610988262947185, - -0.33469874882651, - 0.586690904512625, - -0.147068929694523 - ], - "t": [ - 0, - 1, - 2, - 3, - 4, - 0, - 1, - 2, - 0, - 1, - 0, - 1, - 1, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzPower" - }, - { - "d": [ - 2, - 2, - 2, - 0, - 0, - 0 - ], - "g": [ - 0.99832625, - 0.99832625, - 0.99832625, - 0.99832625, - 0.99832625, - 0.99832625 - ], - "l": [ - 2, - 2, - 2, - 2, - 2, - 2 - ], - "n": [ - -0.190315426348019, - 0.716157134745809, - -0.703161905301754, - 0.33469874882651, - -0.586690904512625, - 0.147068929694523 - ], - "t": [ - 3, - 4, - 5, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzExponential" - } - ] - }, - { - "identifier": { - "name": "R124" - }, - "molarweight": 136.4762, - "tc": 395.425, - "rhoc": 4103.279546177282, - "ideal_gas": [ - { - "a1": -11.669406, - "a2": 9.8760443, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.175638, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -7.389735, - 0.8736831, - -0.1115133 - ], - "t": [ - -1, - -2, - -3 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "a1": -0.000144036507408073, - "a2": 7.30088431548676e-05, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 2, - 3, - 5, - 6, - 8, - 2, - 12, - 1, - 1, - 1, - 1, - 15, - 3, - 3, - 4, - 9 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 4, - 4 - ], - "n": [ - -0.01262962, - 2.168373, - -3.330033, - 0.1610361, - -9.666145e-05, - 0.0119131, - -0.002880217, - 0.001681346, - 1.594968e-05, - 0.1289674, - 1.182213e-05, - -0.4713997, - -0.2412873, - 0.6868066, - -0.08621095, - 4.728645e-06, - 0.01487933, - -0.03001338, - 0.001849606, - 0.0004126073 - ], - "t": [ - 2, - 0.5, - 1, - 0.5, - 2.5, - -1, - 1, - 0, - -0.5, - 1.5, - 1, - 2.5, - -0.25, - 1, - 5, - 2, - 15, - 20, - 15, - 45 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "EthylBenzene" - }, - "molarweight": 106.16499999999999, - "tc": 617.12, - "rhoc": 2741.016, - "ideal_gas": [ - { - "a1": 5.70409, - "a2": -0.52414353, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 4.2557889, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 9.7329909, - 11.201832, - 25.440749 - ], - "t": [ - 0.9479517759917034, - 7.16230230749287, - 2.710980036297641 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 5, - 1, - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.0018109418, - -0.076824284, - 0.041823789, - 1.5059649, - -2.4122441, - -0.47788846, - 0.18814732, - -1.0657412, - -0.20797007, - 1.1222031, - -0.99300799, - -0.027300984 - ], - "t": [ - 1, - 1, - 0.92, - 0.27, - 0.962, - 1.033, - 0.513, - 2.31, - 3.21, - 1.26, - 2.29, - 1 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 2.437, - 1.488, - 4, - 418.6 - ], - "d": [ - 1, - 1, - 3, - 3 - ], - "epsilon": [ - 0.5494, - 0.7235, - 0.493, - 0.8566 - ], - "eta": [ - 1.178, - 1.07, - 1.775, - 15.45 - ], - "gamma": [ - 1.2667, - 0.4237, - 0.8573, - 1.15 - ], - "n": [ - 1.3757894, - -0.44477155, - -0.07769742, - -2.16719 - ], - "t": [ - 0.6, - 3.6, - 2.1, - 0.5 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Xenon" - }, - "molarweight": 131.293, - "tc": 289.733, - "rhoc": 8400, - "ideal_gas": [ - { - "a1": -3.8227178129, - "a2": 3.8416395351, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.83115, - -2.3553, - 0.53904, - 0.014382, - 0.066309, - 0.00019649, - 0.14996, - -0.035319, - -0.15929, - -0.027521, - -0.023305, - 0.0086941 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "MD4M" - }, - "molarweight": 458.99328, - "tc": 653.2, - "rhoc": 570, - "ideal_gas": [ - { - "a1": 88.10187245449355, - "a2": -39.55376118918867, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.0, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 97.16, - 69.73, - 38.43 - ], - "t": [ - 0.9338640538885487, - 3.7966932026944273, - 9.797917942437232 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.053362183, - 2.8527871, - -3.8108356, - -0.95254215, - 0.44739021, - -2.5194015, - -1.2945338, - 0.43538523, - -0.92015738, - -0.054299195 - ], - "t": [ - 1.0, - 0.3, - 0.68, - 0.913, - 0.434, - 2.33, - 2.7, - 0.61, - 2.12, - 1.121 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.526, - 0.72, - 0.056, - 1.3, - 700.0 - ], - "d": [ - 1, - 3, - 2, - 2, - 1 - ], - "epsilon": [ - 0.977, - 0.65, - 1.06, - 0.659, - 0.92 - ], - "eta": [ - 0.81, - 0.892, - 0.82, - 0.847, - 17.3 - ], - "gamma": [ - 1.34, - 1.19, - 1.68, - 0.86, - 1.108 - ], - "n": [ - 4.6112643, - -0.7391977, - -0.14001997, - -1.8085327, - -0.58630821 - ], - "t": [ - 1.13, - 2.55, - 2.59, - 1.07, - 0.7 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R134a" - }, - "molarweight": 102.032, - "tc": 374.18, - "rhoc": 4978.830171000001, - "ideal_gas": [ - { - "a1": -1.019535, - "a2": 9.047135, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1.629789, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -9.723916, - -3.92717 - ], - "t": [ - -0.5, - -0.75 - ], - "type": "IdealGasHelmholtzPower" - } - ], - "residual": [ - { - "d": [ - 2, - 1, - 3, - 6, - 6, - 1, - 1, - 2, - 5, - 2, - 2, - 4, - 1, - 4, - 1, - 2, - 4, - 1, - 5, - 3, - 10 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 4 - ], - "n": [ - 0.05586817, - 0.498223, - 0.02458698, - 0.0008570145, - 0.0004788584, - -1.800808, - 0.2671641, - -0.04781652, - 0.01423987, - 0.3324062, - -0.007485907, - 0.0001017263, - -0.5184567, - -0.08692288, - 0.2057144, - -0.005000457, - 0.0004603262, - -0.003497836, - 0.006995038, - -0.01452184, - -0.0001285458 - ], - "t": [ - -0.5, - 0, - 0, - 0, - 1.5, - 1.5, - 2, - 2, - 1, - 3, - 5, - 1, - 5, - 5, - 6, - 10, - 10, - 10, - 18, - 22, - 50 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "n-Octane" - }, - "molarweight": 114.229, - "tc": 568.74, - "rhoc": 2031, - "ideal_gas": [ - { - "a1": 16.93282558002394, - "a2": -4.06060393716559, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 17.47, - 33.25, - 15.63 - ], - "t": [ - 0.6681436157119246, - 3.031262088124626, - 6.8238562436262615 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.042240369, - 1.4800888, - -2.0975357, - -0.72303256, - 0.26084383, - -1.6713762, - -1.3023632, - 0.67710461, - -1.1644509, - -0.030939987 - ], - "t": [ - 1.0, - 0.243, - 0.856, - 1.07, - 0.52, - 2.3, - 2.55, - 1.075, - 2.24, - 0.951 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.52, - 998.0, - 1.57, - 1.44 - ], - "d": [ - 1, - 1, - 3, - 2 - ], - "epsilon": [ - 0.989, - 0.986, - 0.532, - 1.16 - ], - "eta": [ - 0.985, - 13.6, - 1.03, - 1.084 - ], - "gamma": [ - 1.448, - 1.08, - 1.185, - 1.3 - ], - "n": [ - 3.1437871, - -0.011637891, - -0.95649696, - -0.36897912 - ], - "t": [ - 0.59, - 0.917, - 1.05, - 1.634 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R142b" - }, - "molarweight": 100.49503, - "tc": 410.26, - "rhoc": 4438, - "ideal_gas": [ - { - "a1": -12.6016527149, - "a2": 8.3160183265, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 5.0385, - 6.8356, - 4.0591, - 2.8136 - ], - "t": [ - 1.152927411885146, - 3.061473212109394, - 6.086384244137864, - 16.67235411690148 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 3, - 7, - 1, - 2, - 5, - 1, - 1, - 4, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 2, - 2, - 2, - 3 - ], - "n": [ - 1.0038, - -2.7662, - 0.42921, - 0.081363, - 0.00024174, - 0.48246, - 0.75542, - -0.00743, - -0.4146, - -0.016558, - -0.10644, - -0.021704 - ], - "t": [ - 0.25, - 1.25, - 1.5, - 0.25, - 0.875, - 2.375, - 2, - 2.125, - 3.5, - 6.5, - 4.75, - 12.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R1234yf" - }, - "molarweight": 114.04159279999999, - "tc": 367.85, - "rhoc": 4170, - "ideal_gas": [ - { - "a1": -12.837928, - "a2": 8.042605, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 4.944, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 7.549, - 1.537, - 2.03, - 7.455 - ], - "t": [ - 1.951882560826424, - 2.384123963572108, - 12.13809976892755, - 4.770966426532554 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.04592563, - 1.546958, - -2.355237, - -0.4827835, - 0.1758022, - -1.210006, - -0.6177084, - 0.6805262, - -0.6968555, - -0.02695779 - ], - "t": [ - 1, - 0.32, - 0.929, - 0.94, - 0.38, - 2.28, - 1.76, - 0.97, - 2.44, - 1.05 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.42, - 2.31, - 0.89, - 80, - 108 - ], - "d": [ - 1, - 1, - 3, - 3, - 2 - ], - "epsilon": [ - 0.712, - 0.91, - 0.677, - 0.718, - 1.64 - ], - "eta": [ - 1.02, - 1.336, - 1.055, - 5.84, - 16.2 - ], - "gamma": [ - 1.13, - 0.67, - 0.46, - 1.28, - 1.2 - ], - "n": [ - 1.389966, - -0.4777136, - -0.1975184, - -1.147646, - 0.0003428541 - ], - "t": [ - 1.4, - 3, - 3.5, - 1, - 3.5 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "n-Pentane" - }, - "molarweight": 72.14878, - "tc": 469.7, - "rhoc": 3210, - "ideal_gas": [ - { - "a1": 8.509252832282648, - "a2": 0.06430584062033375, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 6.618, - 15.97, - 15.29 - ], - "t": [ - 0.3278688524590164, - 2.8188205237385566, - 5.607834788162657 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 3, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.042952795, - 2.4923999, - -2.603872, - -0.83829913, - 0.19223378, - -3.0778196, - -0.000324816, - -1.6781976, - 0.6416425, - -1.7300934, - -0.017585046 - ], - "t": [ - 1.0, - 0.367, - 0.704, - 1.04, - 0.494, - 1.34, - 0.688, - 1.688, - 0.88, - 1.357, - 1.021 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.583, - 31.6, - 0.52, - 0.654, - 0.75 - ], - "d": [ - 1, - 1, - 3, - 2, - 2 - ], - "epsilon": [ - 0.927, - 0.968, - 0.735, - 1.196, - 0.617 - ], - "eta": [ - 1.01, - 4.77, - 1.13, - 1.08, - 1.12 - ], - "gamma": [ - 1.06, - 1.37, - 1.09, - 1.19, - 0.83 - ], - "n": [ - 4.5708883, - -0.0758188, - -0.62122633, - -0.42413043, - -2.0418443 - ], - "t": [ - 0.979, - 2.966, - 1.35, - 0.664, - 0.937 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Water" - }, - "molarweight": 18.015268000000003, - "tc": 647.096, - "rhoc": 17873.72799560906, - "ideal_gas": [ - { - "a1": -8.3204464837497, - "a2": 6.6832105275932, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.00632, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 0.012436, - 0.97315, - 1.2795, - 0.96956, - 0.24873 - ], - "t": [ - 1.28728967, - 3.53734222, - 7.74073708, - 9.24437796, - 27.5075105 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 2, - 3, - 4, - 1, - 1, - 1, - 2, - 2, - 3, - 4, - 4, - 5, - 7, - 9, - 10, - 11, - 13, - 15, - 1, - 2, - 2, - 2, - 3, - 4, - 4, - 4, - 5, - 6, - 6, - 7, - 9, - 9, - 9, - 9, - 9, - 10, - 10, - 12, - 3, - 4, - 4, - 5, - 14, - 3, - 6, - 6, - 6 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 3, - 4, - 6, - 6, - 6, - 6 - ], - "n": [ - 0.012533547935523, - 7.8957634722828, - -8.7803203303561, - 0.31802509345418, - -0.26145533859358, - -0.0078199751687981, - 0.0088089493102134, - -0.66856572307965, - 0.20433810950965, - -6.6212605039687e-05, - -0.19232721156002, - -0.25709043003438, - 0.16074868486251, - -0.040092828925807, - 3.9343422603254e-07, - -7.5941377088144e-06, - 0.00056250979351888, - -1.5608652257135e-05, - 1.1537996422951e-09, - 3.6582165144204e-07, - -1.3251180074668e-12, - -6.2639586912454e-10, - -0.10793600908932, - 0.017611491008752, - 0.22132295167546, - -0.40247669763528, - 0.58083399985759, - 0.0049969146990806, - -0.031358700712549, - -0.74315929710341, - 0.4780732991548, - 0.020527940895948, - -0.13636435110343, - 0.014180634400617, - 0.0083326504880713, - -0.029052336009585, - 0.038615085574206, - -0.020393486513704, - -0.0016554050063734, - 0.0019955571979541, - 0.00015870308324157, - -1.638856834253e-05, - 0.043613615723811, - 0.034994005463765, - -0.076788197844621, - 0.022446277332006, - -6.2689710414685e-05, - -5.5711118565645e-10, - -0.19905718354408, - 0.31777497330738, - -0.11841182425981 - ], - "t": [ - -0.5, - 0.875, - 1, - 0.5, - 0.75, - 0.375, - 1, - 4, - 6, - 12, - 1, - 5, - 4, - 2, - 13, - 9, - 3, - 4, - 11, - 4, - 13, - 1, - 7, - 1, - 9, - 10, - 10, - 3, - 7, - 10, - 10, - 6, - 10, - 10, - 1, - 2, - 3, - 4, - 8, - 6, - 9, - 8, - 16, - 22, - 23, - 23, - 10, - 50, - 44, - 46, - 50 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 150, - 150, - 250 - ], - "d": [ - 3, - 3, - 3 - ], - "epsilon": [ - 1, - 1, - 1 - ], - "eta": [ - 20, - 20, - 20 - ], - "gamma": [ - 1.21, - 1.21, - 1.25 - ], - "n": [ - -31.306260323435, - 31.546140237781, - -2521.3154341695 - ], - "t": [ - 0, - 1, - 4 - ], - "type": "ResidualHelmholtzGaussian" - }, - { - "A": [ - 0.32, - 0.32 - ], - "B": [ - 0.2, - 0.2 - ], - "C": [ - 28, - 32 - ], - "D": [ - 700, - 800 - ], - "a": [ - 3.5, - 3.5 - ], - "b": [ - 0.85, - 0.95 - ], - "beta": [ - 0.3, - 0.3 - ], - "n": [ - -0.14874640856724, - 0.31806110878444 - ], - "type": "ResidualHelmholtzNonAnalytic" - } - ] - }, - { - "identifier": { - "name": "R32" - }, - "molarweight": 52.024, - "tc": 351.255, - "rhoc": 8150.084599999999, - "ideal_gas": [ - { - "a1": -8.258096, - "a2": 6.353098, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.004486, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 1.160761, - 2.645151, - 5.794987, - 1.129475 - ], - "t": [ - 2.2718538, - 11.914421, - 5.1415638, - 32.768217 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 2, - 5, - 1, - 1, - 3, - 8, - 4, - 4, - 4, - 8, - 3, - 5, - 1, - 1, - 3, - 1, - 2, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 4, - 3, - 1, - 4, - 1, - 2, - 2, - 1, - 1, - 1, - 1 - ], - "n": [ - 1.046634, - -0.5451165, - -0.002448595, - -0.04877002, - 0.03520158, - 0.00162275, - 2.377225e-05, - 0.029149, - 0.003386203, - -0.004202444, - 0.0004782025, - -0.005504323, - -0.02418396, - 0.4209034, - -0.4616537, - -1.200513, - -2.59155, - -1.400145, - 0.8263017 - ], - "t": [ - 0.25, - 1, - -0.25, - -1, - 2, - 2, - 0.75, - 0.25, - 18, - 26, - -1, - 25, - 1.75, - 4, - 5, - 1, - 1.5, - 1, - 0.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "n-Undecane" - }, - "molarweight": 156.30826000000002, - "tc": 638.8, - "rhoc": 1514.916863638556, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298.15, - "Tc": 638.8, - "c": [ - -1158848, - 20321.8, - -119.4274, - 0.4284215, - -0.0004157728, - 1.61828e-07 - ], - "t": [ - -2, - -1, - 0, - 1, - 2, - 3 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": 9.44957570130074, - "a2": -2.12108576273657, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 3, - 7, - 2, - 1, - 1, - 2, - 5, - 1, - 1, - 4, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 3 - ], - "n": [ - -0.66172706, - 1.3375396, - -2.5608399, - 0.1067891, - 0.00028873614, - 0.049587209, - 5.5407101e-08, - 0.99754712, - 1.5774025, - 0.0013108354, - -0.59326961, - -0.093001876, - -0.17960228, - -0.022560853 - ], - "t": [ - 1.5, - 0.25, - 1.25, - 0.25, - 0.875, - 1.375, - 0, - 2.375, - 2, - 2.125, - 3.5, - 6.5, - 4.75, - 12.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Ammonia" - }, - "molarweight": 17.03052, - "tc": 405.56, - "rhoc": 13696, - "ideal_gas": [ - { - "a1": -6.59406093943886, - "a2": 5.60101151987913, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 2.224, - 3.148, - 0.9579 - ], - "t": [ - 4.0585856593352405, - 9.776605187888352, - 17.829667620080876 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 3, - 2, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1 - ], - "n": [ - 0.006132232, - 1.7395866, - -2.2261792, - -0.30127553, - 0.08967023, - -0.076387037, - -0.84063963, - -0.27026327 - ], - "t": [ - 1.0, - 0.382, - 1.0, - 1.0, - 0.677, - 2.915, - 3.51, - 1.063 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.708, - 1.4865, - 2.0915, - 2.43, - 0.488, - 1.1, - 0.85, - 1.14, - 945.64, - 993.85 - ], - "d": [ - 1, - 1, - 1, - 2, - 2, - 1, - 3, - 3, - 1, - 1 - ], - "epsilon": [ - -0.0726, - -0.1274, - 0.7527, - 0.57, - 2.2, - -0.243, - 2.96, - 3.02, - 0.9574, - 0.9576 - ], - "eta": [ - 0.42776, - 0.6424, - 0.8175, - 0.7995, - 0.91, - 0.3574, - 1.21, - 4.14, - 22.56, - 22.68 - ], - "gamma": [ - 1.036, - 1.2777, - 1.083, - 1.2906, - 0.928, - 0.934, - 0.919, - 1.852, - 1.05897, - 1.05277 - ], - "n": [ - 6.212578, - -5.7844357, - 2.4817542, - -2.3739168, - 0.01493697, - -3.7749264, - 0.0006254348, - -1.7359e-05, - -0.13462033, - 0.07749072839 - ], - "t": [ - 0.655, - 1.3, - 3.1, - 1.4395, - 1.623, - 0.643, - 1.13, - 4.5, - 1.0, - 4.0 - ], - "type": "ResidualHelmholtzGaussian" - }, - { - "b": [ - 1.244, - 0.6826 - ], - "beta": [ - 0.3696, - 0.2962 - ], - "d": [ - 1, - 1 - ], - "epsilon": [ - 0.4478, - 0.44689 - ], - "eta": [ - -2.8452, - -2.8342 - ], - "gamma": [ - 1.108, - 1.313 - ], - "n": [ - -1.6909858, - 0.93739074 - ], - "t": [ - 4.3315, - 4.015 - ], - "type": "ResidualHelmholtzGaoB" - } - ] - }, - { - "identifier": { - "name": "R114" - }, - "molarweight": 170.921, - "tc": 418.83, - "rhoc": 3393.2, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298.15, - "Tc": 418.83, - "c": [ - 2.007414931364566, - 0.06662223065231744, - -0.0001211907268430731, - 1.385112968303604e-07, - -7.290244178478347e-11 - ], - "t": [ - 0, - 1, - 2, - 3, - 4 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": -28.2691959611666, - "a2": 17.4464013989786, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3, - 4, - 4, - 5, - 0, - 0, - 0 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0 - ], - "n": [ - 1.07938940032879, - -1.99243731009857, - -0.155135220175231, - -0.121465858429101, - -0.0165038674558161, - -0.186916017480622, - 0.308074956770949, - 0.115861545567346, - 0.027635877981389, - 0.108043424159349, - 0.0460684822539207, - -0.174822007470687, - 0.0317531741331376, - -0.340776521025164, - 0.323001398918284, - -0.0424950543505197 - ], - "t": [ - 0, - 1, - 2, - 3, - 4, - 0, - 1, - 2, - 0, - 1, - 0, - 1, - 1, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzPower" - }, - { - "d": [ - 2, - 2, - 2, - 0, - 0, - 0 - ], - "g": [ - 1.21104, - 1.21104, - 1.21104, - 1.21104, - 1.21104, - 1.21104 - ], - "l": [ - 2, - 2, - 2, - 2, - 2, - 2 - ], - "n": [ - -1.66940287525002, - 4.08693538568874, - -2.4173923391137, - 0.340776521025164, - -0.323001398918284, - 0.0424950543505197 - ], - "t": [ - 3, - 4, - 5, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzExponential" - } - ] - }, - { - "identifier": { - "name": "R40" - }, - "molarweight": 50.48752, - "tc": 416.3, - "rhoc": 7194.233, - "ideal_gas": [ - { - "a1": 7.499423, - "a2": -2.997533, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.92518, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -0.060842, - -0.11525, - 0.010843 - ], - "t": [ - -1, - -2, - -3 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 3.764997 - ], - "t": [ - 3.7101 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -11.381492873964438, - "a2": 6.881516818987834, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 3, - 5, - 1, - 1, - 2, - 5, - 1, - 3, - 4, - 5, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3 - ], - "n": [ - 0.274572058, - 0.0104235924, - -1.2572771, - 0.00225609199, - -0.0331830421, - 0.0918440878, - 0.00261059608, - -0.0948880966, - -0.0843634836, - 0.22626366, - -0.047076594, - -0.196610405, - -0.0204318929, - -0.0692145009, - 0.0148974844, - -0.00642544485 - ], - "t": [ - -0.75, - -0.25, - 1.25, - 0.75, - -1, - -0.375, - 1.25, - 2.375, - 3.0, - 2.625, - 1.875, - 4.5, - 5.75, - 5.375, - 2.75, - 14.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R41" - }, - "molarweight": 34.03291999999999, - "tc": 317.28, - "rhoc": 9300, - "ideal_gas": [ - { - "a1": -4.867644116, - "a2": 4.2527951258, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -0.0268688568 - ], - "t": [ - -1 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 5.6936, - 2.9351 - ], - "t": [ - 5.802445789208271, - 13.33837619768028 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 0.00152259725820867, - "a2": -0.00354958910457479, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 3, - 7, - 1, - 2, - 5, - 1, - 1, - 4, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 2, - 2, - 2, - 3 - ], - "n": [ - 0.85316, - -2.6366, - 0.69129, - 0.054681, - 0.00012796, - -0.37093, - 0.3392, - -0.0017413, - -0.095417, - -0.078852, - -0.030729, - -0.011497 - ], - "t": [ - 0.25, - 1.25, - 1.5, - 0.25, - 0.875, - 2.375, - 2, - 2.125, - 3.5, - 6.5, - 4.75, - 12.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R218" - }, - "molarweight": 188.01933000000002, - "tc": 345.02, - "rhoc": 3340.000000000001, - "ideal_gas": [ - { - "a1": -15.6587335175, - "a2": 11.4531412796, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 7.2198, - 7.2692, - 11.599 - ], - "t": [ - 0.9448727609993625, - 1.724537707958959, - 4.315691843951075 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 3, - 7, - 1, - 2, - 5, - 1, - 1, - 4, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 2, - 2, - 2, - 3 - ], - "n": [ - 1.327, - -3.8433, - 0.922, - 0.1136, - 0.00036195, - 1.1001, - 1.1896, - -0.025147, - -0.65923, - -0.027969, - -0.1833, - -0.02163 - ], - "t": [ - 0.25, - 1.25, - 1.5, - 0.25, - 0.875, - 2.375, - 2, - 2.125, - 3.5, - 6.5, - 4.75, - 12.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Methanol" - }, - "molarweight": 32.04216, - "tc": 513.38, - "rhoc": 8785.17, - "ideal_gas": [ - { - "a1": 0.0, - "a2": 0.0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "R": 8.31448, - "T0": 298.15, - "Tc": 513.38, - "c": [ - 3.9007912 - ], - "t": [ - 0.0 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "R": 8.31448, - "T0": 298.15, - "Tcrit": 513.38, - "n": [ - 10.992677, - 18.33683, - -16.366004, - -6.2332348, - 2.8035363, - 1.0778099, - 0.96965697 - ], - "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", - "v": [ - 2115.01542, - 1676.18569, - 1935.16717, - 1504.97016, - 4222.83691, - 5296.17127, - 273.36934 - ] - }, - { - "a1": -6.204166753747667, - "a2": 7.746973464311607, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 4, - 4, - 5, - 6, - 7, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3, - 4, - 5, - 5, - 5, - 5, - 6, - 9, - 6, - 6, - 4 - ], - "g": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.01733510223052, - 1.03497071023039, - 1.03497071023039, - 1.05291203329783 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 4, - 4, - 6 - ], - "n": [ - -2.80062505988, - 12.5636372418, - -13.0310563173, - 3.2659313406, - -4.11425343805, - 3.46397741254, - -0.083644396759, - -0.369240098923, - 0.00313180842152, - 0.603201474111, - -0.231158593638, - 0.106114844945, - -0.0792228164995, - -4.22419150975e-05, - 0.00758196739214, - -2.44617434701e-05, - 1.15080328802e-06, - -12.5099747447, - 27.0392835391, - -21.2070717086, - 6.3279947227, - 14.3687921636, - -28.7450766617, - 18.5397216068, - -3.88720372879, - -4.16602487963, - 5.29665875982, - 0.509360272812, - -3.30257604839, - -0.311045210826, - 0.273460830583, - 0.518916583979, - -0.00227570803104, - 0.0211658196182, - -0.0114335123221, - 0.00249860798459 - ], - "t": [ - 0, - 1, - 2, - 3, - 1, - 2, - 3, - 4, - 6, - 0, - 3, - 4, - 0, - 7, - 1, - 6, - 7, - 1, - 2, - 3, - 4, - 1, - 2, - 3, - 5, - 1, - 2, - 1, - 2, - 4, - 5, - 2, - 5, - 9, - 14, - 19 - ], - "type": "ResidualHelmholtzExponential" - }, - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 3, - 3, - 3 - ], - "gd": [ - 4.06934040892209, - 8.20892015621185, - 9.15601592007471, - 83.8326275286616, - 16.2773616356884, - 27.705105527215, - 16.2773616356884, - 264.95250181898 - ], - "gt": [ - -3.8940745646517, - -3.8940745646517, - -3.8940745646517, - -3.8940745646517, - -3.8940745646517, - -23.0649031906293, - -23.0649031906293, - -23.0649031906293 - ], - "ld": [ - 2, - 3, - 2, - 4, - 2, - 3, - 2, - 4 - ], - "lt": [ - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1 - ], - "n": [ - -0.02030821799675877, - 0.0011863332818003462, - -0.0011009660194048337, - 0.00044523795353053076, - -0.00170439564391521, - 3.3394928748983205e-11, - -9.561349210975947e-11, - 1.5831281419735226e-11 - ], - "t": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0 - ], - "type": "ResidualHelmholtzDoubleExponential" - } - ] - }, - { - "identifier": { - "name": "CycloPropane" - }, - "molarweight": 42.081, - "tc": 398.3, - "rhoc": 6142.9149, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298.15, - "Tc": 398.3, - "c": [ - 6.378038040672545, - -0.04582023302189515, - 0.0002558503477107775, - -3.908517142596848e-07, - 2.051746651955177e-10 - ], - "t": [ - 0, - 1, - 2, - 3, - 4 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": -10.9358280454636, - "a2": 8.75156673092286, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3, - 4, - 4, - 5, - 0, - 0, - 0, - 2, - 2, - 2, - 0, - 0, - 0 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 2, - 2, - 2, - 2 - ], - "n": [ - -1.15634007067133, - 2.52574627508968, - -2.82266128097357, - 0.283576801605235, - -0.0842720496332253, - 0.931088565988454, - -1.0529683988751, - 0.432021581602768, - -0.251108864340636, - 0.127725892482498, - 0.0483622335785703, - -0.0116474078333994, - 0.00033400656553506, - -1.37016097592368, - 2.12444673007915, - -0.578908942731662, - 0.304945770506538, - -0.184276165170077, - -0.292111460404481, - 1.37016097592368, - -2.12444673007915, - 0.578908942731662 - ], - "t": [ - 0, - 1, - 2, - 3, - 4, - 0, - 1, - 2, - 0, - 1, - 0, - 1, - 1, - 3, - 4, - 5, - 3, - 4, - 5, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "1-Butene" - }, - "molarweight": 56.10631999999999, - "tc": 419.29, - "rhoc": 4240, - "ideal_gas": [ - { - "a1": -0.00101126, - "a2": 2.3869174, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.9197, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 2.9406, - 6.5395, - 14.535, - 5.8971 - ], - "t": [ - 0.6534856543203987, - 2.268119917002552, - 5.072861265472584, - 13.71842877244866 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.78084, - -2.8258, - 0.99403, - 0.017951, - 0.088889, - 0.00024673, - 0.22846, - -0.074009, - -0.22913, - -0.062334, - -0.025385, - 0.01104 - ], - "t": [ - 0.12, - 1.3, - 1.74, - 2.1, - 0.28, - 0.69, - 0.75, - 2, - 4.4, - 4.7, - 15, - 14 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "HydrogenSulfide" - }, - "molarweight": 34.08088, - "tc": 373.1, - "rhoc": 10190, - "ideal_gas": [ - { - "a1": -4.0740770957, - "a2": 3.7632137341, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -0.002753352822675789 - ], - "t": [ - -1.5 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 1.1364, - 1.9721 - ], - "t": [ - 4.886089520235862, - 10.62717770034843 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.87641, - -2.0367, - 0.21634, - -0.050199, - 0.066994, - 0.00019076, - 0.20227, - -0.0045348, - -0.2223, - -0.034714, - -0.014885, - 0.0074154 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R227EA" - }, - "molarweight": 170.02886, - "tc": 374.9, - "rhoc": 3495, - "ideal_gas": [ - { - "a1": -15.8291124137, - "a2": 11.0879509962, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 11.43, - 12.83 - ], - "t": [ - 1.07495332088557, - 3.809015737530008 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 2, - 2, - 4, - 1, - 3, - 6, - 6, - 2, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2 - ], - "n": [ - 2.024341, - -2.60593, - 0.4957216, - -0.824082, - 0.06543703, - -1.02461, - 0.6247065, - 0.2997521, - -0.353917, - -1.232043, - -0.8824483 - ], - "t": [ - 0.34, - 0.77, - 0.36, - 0.9, - 1, - 2.82, - 2.1, - 0.9, - 1.13, - 3.8, - 2.75 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.72, - 5.2, - 2.31, - 1.02, - 5.63, - 50.9, - 1.56 - ], - "d": [ - 1, - 2, - 1, - 1, - 4, - 2, - 1 - ], - "epsilon": [ - 1.13, - 0.71, - 1.2, - 1.7, - 0.546, - 0.896, - 0.747 - ], - "eta": [ - 0.83, - 2.19, - 2.44, - 3.65, - 8.88, - 8.23, - 2.01 - ], - "gamma": [ - 0.414, - 1.051, - 1.226, - 1.7, - 0.904, - 1.42, - 0.926 - ], - "n": [ - 0.1349661, - -0.2662928, - 0.1764733, - 0.01536163, - -0.004667185, - -11.70854, - 0.9114512 - ], - "t": [ - 1.5, - 2.5, - 2.5, - 5.4, - 4, - 1, - 3.5 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "SulfurDioxide" - }, - "molarweight": 64.0638, - "tc": 430.64, - "rhoc": 8078, - "ideal_gas": [ - { - "a1": -4.5414235721, - "a2": 4.4732289572, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -0.0159272204 - ], - "t": [ - -1 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 1.0875, - 1.916 - ], - "t": [ - 1.8182240386401636, - 4.328441389559726 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.01744413, - 1.814878, - -2.246338, - -0.4602906, - 0.1097049, - -0.9485769, - -0.8751541, - 0.4228777, - -0.4174962, - -0.002903451 - ], - "t": [ - 1, - 0.45, - 0.9994, - 1, - 0.45, - 2.907, - 2.992, - 0.87, - 3.302, - 1.002 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.967, - 2.538, - 2.758, - 1.062, - 1.039, - 0.41 - ], - "d": [ - 1, - 1, - 3, - 2, - 2, - 1 - ], - "epsilon": [ - 0.832, - 0.69, - 0.35, - 0.961, - 0.981, - 0.333 - ], - "eta": [ - 1.061, - 0.945, - 1.741, - 1.139, - 1.644, - 0.647 - ], - "gamma": [ - 1.276, - 0.738, - 0.71, - 0.997, - 1.35, - 0.919 - ], - "n": [ - 1.64041, - -0.4103535, - -0.08316597, - -0.2728126, - -0.1075782, - -0.4348434 - ], - "t": [ - 1.15, - 0.997, - 1.36, - 2.086, - 0.855, - 0.785 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Propyne" - }, - "molarweight": 40.06000000000001, - "tc": 402.38, - "rhoc": 6113.33, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298.15, - "Tc": 402.38, - "c": [ - 1.649840044261093, - 0.02333952849909193, - -1.673911795340558e-05, - 6.980952359188388e-09, - -1.29200161168108e-12 - ], - "t": [ - 0, - 1, - 2, - 3, - 4 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": -11.004154248087, - "a2": 8.92674898200796, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3, - 4, - 4, - 5, - 0, - 0, - 0 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0 - ], - "n": [ - -0.986950667682466, - 4.59528109357232, - -8.86063623531859, - 5.56346955560542, - -1.57450028544218, - -0.15906875357343, - 0.235738270184042, - 0.440755494598713, - 0.196126150614333, - -0.367759650330219, - 0.00792931851007852, - 0.00247509085735293, - 0.00832903610194452, - 1.02590136933231, - -2.20786016506394, - 1.07889905203761 - ], - "t": [ - 0, - 1, - 2, - 3, - 4, - 0, - 1, - 2, - 0, - 1, - 0, - 1, - 1, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzPower" - }, - { - "d": [ - 2, - 2, - 2, - 0, - 0, - 0 - ], - "g": [ - 1.65533788, - 1.65533788, - 1.65533788, - 1.65533788, - 1.65533788, - 1.65533788 - ], - "l": [ - 2, - 2, - 2, - 2, - 2, - 2 - ], - "n": [ - -3.821884669859, - 8.30345065618981, - -4.4832307260286, - -1.02590136933231, - 2.20786016506394, - -1.07889905203761 - ], - "t": [ - 3, - 4, - 5, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzExponential" - } - ] - }, - { - "identifier": { - "name": "cis-2-Butene" - }, - "molarweight": 56.10631999999999, - "tc": 435.75, - "rhoc": 4244, - "ideal_gas": [ - { - "a1": 0.2591542, - "a2": 2.4189888, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.9687, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 3.2375, - 7.0437, - 11.414, - 7.3722 - ], - "t": [ - 0.5691336775674125, - 2.714859437751004, - 4.800917957544463, - 10.09064830751578 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.77827, - -2.8064, - 1.003, - 0.013762, - 0.085514, - 0.00021268, - 0.22962, - -0.072442, - -0.23722, - -0.074071, - -0.026547, - 0.012032 - ], - "t": [ - 0.12, - 1.3, - 1.74, - 2.1, - 0.28, - 0.69, - 0.75, - 2, - 4.4, - 4.7, - 15, - 14 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "n-Decane" - }, - "molarweight": 142.28168, - "tc": 617.7, - "rhoc": 1640, - "ideal_gas": [ - { - "a1": 13.9361966549, - "a2": -10.5265128286, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 18.109, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 25.685, - 28.233, - 12.417, - 10.035 - ], - "t": [ - 1.931358264529707, - 3.46446495062328, - 7.710862878419944, - 17.58458798769629 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 1.0461, - -2.4807, - 0.74372, - -0.52579, - 0.15315, - 0.00032865, - 0.84178, - 0.055424, - -0.73555, - -0.18507, - -0.020775, - 0.012335 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Acetone" - }, - "molarweight": 58.07914, - "tc": 508.1, - "rhoc": 4699.999999999999, - "ideal_gas": [ - { - "a1": -9.4883659997, - "a2": 7.1422719708, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 3.7072, - 7.0675, - 11.012 - ], - "t": [ - 0.6101161188742373, - 6.849045463491438, - 3.101751623696123 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 9.7898709978717, - "a2": -4.41053410795899, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 3, - 7, - 1, - 2, - 5, - 1, - 1, - 4, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 2, - 2, - 2, - 3 - ], - "n": [ - 0.90041, - -2.1267, - -0.083409, - 0.065683, - 0.00016527, - -0.039663, - 0.72085, - 0.0092318, - -0.17217, - -0.14961, - -0.076124, - -0.018166 - ], - "t": [ - 0.25, - 1.25, - 1.5, - 0.25, - 0.875, - 2.375, - 2, - 2.125, - 3.5, - 6.5, - 4.75, - 12.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Propylene" - }, - "molarweight": 42.079739999999994, - "tc": 364.211, - "rhoc": 5457, - "ideal_gas": [ - { - "a1": 4.9916462, - "a2": -0.1709449, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 1.544, - 4.013, - 8.923, - 6.02 - ], - "t": [ - 0.8895942187358427, - 2.671528317376466, - 5.304617378387802, - 11.85301926630442 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -10.1739741651451, - "a2": 4.53493517654279, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 2, - 3, - 1, - 1, - 3, - 2, - 2, - 8 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.04341002, - 1.136592, - -0.8528611, - 0.5216669, - -1.382953, - 0.1214347, - -0.5984662, - -1.391883, - -1.008434, - 0.1961249, - -0.360693, - -0.002407175 - ], - "t": [ - 1, - 0.205, - 0.56, - 0.676, - 1, - 0.5, - 1, - 1.94, - 2, - 1, - 2.66, - 0.83 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.77, - 0.83, - 0.607, - 0.4, - 0.66, - 0.07, - 3.1, - 387, - 41 - ], - "d": [ - 1, - 1, - 2, - 3, - 3, - 2, - 1, - 2, - 3 - ], - "epsilon": [ - 0.78, - 0.82, - 1.94, - 0.69, - 1.96, - 1.3, - 0.38, - 0.91, - 0.7 - ], - "eta": [ - 1.07, - 0.66, - 1.2, - 1.12, - 1.47, - 1.93, - 3.3, - 15.4, - 6 - ], - "gamma": [ - 1.21, - 1.08, - 0.83, - 0.56, - 1.22, - 1.81, - 1.54, - 1.12, - 1.4 - ], - "n": [ - 0.7432121, - 0.1475162, - -0.02503391, - -0.2734409, - 0.006378889, - 0.0150294, - -0.03162971, - -0.04107194, - -1.190241 - ], - "t": [ - 1.6, - 2.5, - 3, - 2.5, - 2.72, - 4, - 4, - 1, - 4 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "trans-2-Butene" - }, - "molarweight": 56.10631999999999, - "tc": 428.61, - "rhoc": 4213, - "ideal_gas": [ - { - "a1": 0.5917816, - "a2": 2.1427758, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.9988, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 5.3276, - 13.29, - 9.6745, - 0.40087 - ], - "t": [ - 0.8445906535078509, - 3.739996733627307, - 8.700216980471756, - 10.5620494155526 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.81107, - -2.8846, - 1.0265, - 0.016591, - 0.086511, - 0.00023256, - 0.22654, - -0.072182, - -0.24849, - -0.071374, - -0.024737, - 0.011843 - ], - "t": [ - 0.12, - 1.3, - 1.74, - 2.1, - 0.28, - 0.69, - 0.75, - 2, - 4.4, - 4.7, - 15, - 14 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R13" - }, - "molarweight": 104.459, - "tc": 301.88, - "rhoc": 5570.98, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298.15, - "Tc": 301.88, - "c": [ - 2.4766458, - 0.018074269, - 2.1945535e-05, - -8.5810657e-08, - 6.3199171e-11 - ], - "t": [ - 0, - 1, - 2, - 3, - 4 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": -17.2649115260318, - "a2": 13.7187307950669, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3, - 4, - 4, - 5, - 0, - 0, - 0 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0 - ], - "n": [ - 0.761143010172, - -1.94465098795, - 0.940938700406, - -1.08107050239, - 0.117501564976, - 0.228305167217, - -0.403338888789, - 0.37558571342, - -0.0617543677315, - 0.170326226881, - 0.0536612457231, - -0.151603010301, - 0.0252033265074, - -0.62834655992, - 0.792797111341, - -0.134038992692 - ], - "t": [ - 0, - 1, - 2, - 3, - 4, - 0, - 1, - 2, - 0, - 1, - 0, - 1, - 1, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzPower" - }, - { - "d": [ - 2, - 2, - 2, - 0, - 0, - 0 - ], - "g": [ - 0.98230055, - 0.98230055, - 0.98230055, - 0.98230055, - 0.98230055, - 0.98230055 - ], - "l": [ - 2, - 2, - 2, - 2, - 2, - 2 - ], - "n": [ - -0.0399863840975, - 0.436410910529, - -0.448724904991, - 0.62834655992, - -0.792797111341, - 0.134038992692 - ], - "t": [ - 3, - 4, - 5, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzExponential" - } - ] - }, - { - "identifier": { - "name": "ParaDeuterium" - }, - "molarweight": 4.0282, - "tc": 38.34, - "rhoc": 17230, - "ideal_gas": [ - { - "a1": -2.0683998716, - "a2": 2.4241000701, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 1.28527, - 1.11376, - -2.491, - 6.38763, - 6.17406, - -3.13698, - -3.14254, - -2.29511, - -3.37, - 1.13634, - 0.72512 - ], - "t": [ - 132.1857068335941, - 26.10328638497652, - 6.820552947313511, - 11.40323422013563, - 8.145539906103286, - 9.984350547730829, - 9.30620761606677, - 7.686489306207615, - 17.79864371413667, - 6.416275430359937, - 7.227438706311946 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 2, - 1, - 1, - 3, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 2, - 2 - ], - "n": [ - 0.006267958, - 10.53609, - -10.14149, - 0.356061, - 0.1824472, - -1.129638, - -0.0549812, - -0.6791329, - 1.347918, - -0.8657582, - 1.719146, - -1.917977, - 0.1233365, - -0.07936891 - ], - "t": [ - 1, - 0.462, - 0.5584, - 0.627, - 1.201, - 0.309, - 1.314, - 1.1166, - 1.25, - 1.25, - 1.395, - 1.627, - 1, - 2.5 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.613, - 0.584, - 0.57, - 1.056, - 1.01, - 1.025, - 1.029 - ], - "d": [ - 1, - 1, - 2, - 3, - 3, - 1, - 3 - ], - "epsilon": [ - 1.46, - 1.7864, - 1.647, - 0.541, - 0.969, - 1.892, - 1.076 - ], - "eta": [ - 0.868, - 0.636, - 0.668, - 0.65, - 0.745, - 0.782, - 0.693 - ], - "gamma": [ - 0.6306, - 0.711, - 0.6446, - 0.8226, - 0.992, - 1.2184, - 1.203 - ], - "n": [ - 1.686617, - -4.240326, - 1.857114, - -0.5903705, - 1.520171, - 2.361373, - -2.297315 - ], - "t": [ - 0.635, - 0.664, - 0.7082, - 2.25, - 1.524, - 0.67, - 0.709 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "MM" - }, - "molarweight": 162.37752, - "tc": 518.7, - "rhoc": 1653, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 19.74, - 29.58, - 18.59, - 4.87 - ], - "t": [ - 6.940427993, - 2.699055331, - 0.038557933, - 12.14574899 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 72.1107541562, - "a2": -10.4314993483, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.05063651, - 8.604724, - -9.179684, - -1.146325, - 0.4878559, - -2.434088, - -1.621326, - 0.6239872, - -2.306057, - -0.05555096 - ], - "t": [ - 1, - 0.346, - 0.46, - 1.01, - 0.59, - 2.6, - 3.33, - 0.75, - 2.95, - 0.93 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.4707, - 0.32, - 0.404, - 0.517, - 0.432, - 7.2, - 1.2, - 35.8 - ], - "d": [ - 1, - 1, - 3, - 3, - 1, - 2, - 3, - 1 - ], - "epsilon": [ - 0.8927, - 0.5957, - 0.559, - 1.056, - 1.3, - 0.106, - 0.181, - 0.525 - ], - "eta": [ - 1.0334, - 1.544, - 1.113, - 1.113, - 1.11, - 7.2, - 1.45, - 4.73 - ], - "gamma": [ - 1.7754, - 0.692, - 1.242, - 0.421, - 0.406, - 0.163, - 0.795, - 0.88 - ], - "n": [ - 9.385015, - -2.493508, - -3.308032, - -0.1885803, - -0.09883865, - 0.111109, - 0.1061928, - -0.01452454 - ], - "t": [ - 1.33, - 1.68, - 1.7, - 3.08, - 5.41, - 1.4, - 1.1, - 5.3 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Cyclopentane" - }, - "molarweight": 70.1329, - "tc": 511.72, - "rhoc": 3920.000000000001, - "ideal_gas": [ - { - "a1": -0.3946233253, - "a2": 2.4918910143, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.0, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 1.34, - 13.4, - 17.4, - 6.65 - ], - "t": [ - 0.4494645509262878, - 2.3059485656218244, - 4.299226139294927, - 10.161807238333463 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.0630928, - 1.50365, - -2.37099, - -0.484886, - 0.191843, - -0.835582, - -0.435929, - 0.545607, - -0.209741, - -0.0387635 - ], - "t": [ - 1.0, - 0.29, - 0.85, - 1.185, - 0.45, - 2.28, - 1.8, - 1.5, - 2.9, - 0.93 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.63, - 2.8, - 0.5, - 0.95, - 0.23 - ], - "d": [ - 1, - 1, - 3, - 3, - 2 - ], - "epsilon": [ - 0.684, - 0.7, - 0.77, - 0.625, - 0.42 - ], - "eta": [ - 0.86, - 0.85, - 0.86, - 1.53, - 5.13 - ], - "gamma": [ - 1.22, - 0.32, - 0.22, - 1.94, - 1.21 - ], - "n": [ - 0.677674, - -0.137043, - -0.0852862, - -0.128085, - -0.00389381 - ], - "t": [ - 1.05, - 4.0, - 2.33, - 1.5, - 1.0 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "MethylOleate" - }, - "molarweight": 296.48794, - "tc": 782, - "rhoc": 812.8499999999999, - "ideal_gas": [ - { - "a1": -1, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298, - "Tc": 782, - "c": [ - 10.85318466404121 - ], - "t": [ - 0.146118 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "n": [ - 28.23955628210667, - 40.38356254011078, - 51.91670619613609 - ], - "t": [ - 0.7845639386189258, - 1.797071611253197, - 3.667212276214834 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 60.4208015509131, - "a2": -25.9023485195146, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.04596121, - 2.2954, - -3.554366, - -0.2291674, - 0.06854534, - -1.535778, - -0.7334697, - 1.7127, - -1.471394, - -0.01724678 - ], - "t": [ - 1, - 0.34, - 1.14, - 1.4, - 0.6, - 3.3, - 4.1, - 1.9, - 3.8, - 1.3 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.9, - 0.65, - 0.75 - ], - "d": [ - 1, - 1, - 3 - ], - "epsilon": [ - 0.79, - 0.9, - 0.76 - ], - "eta": [ - 1.1, - 1.6, - 1.1 - ], - "gamma": [ - 1.14, - 0.65, - 0.77 - ], - "n": [ - 2.11547, - -0.7555374, - -0.4134269 - ], - "t": [ - 3.4, - 3.8, - 4 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R410A" - }, - "molarweight": 72.5854, - "tc": 344.494, - "rhoc": 6323.999999999999, - "ideal_gas": [ - { - "a1": 36.8871, - "a2": 7.15807, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -46.87575 - ], - "t": [ - -0.1 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 2.0623, - 5.9751, - 1.5612 - ], - "t": [ - 2.02326, - 5.00154, - 11.2484 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 5, - 1, - 2, - 3, - 5, - 5, - 5, - 1, - 1, - 4, - 4, - 9, - 2, - 2, - 4, - 5, - 6 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 3, - 3 - ], - "n": [ - 0.987252, - -1.03017, - 1.17666, - -0.138991, - 0.00302373, - -2.53639, - -1.9668, - -0.83048, - 0.172477, - -0.261116, - -0.0745473, - 0.679757, - -0.652431, - 0.0553849, - -0.071097, - -0.000875332, - 0.020076, - -0.0139761, - -0.018511, - 0.0171939, - -0.00482049 - ], - "t": [ - 0.44, - 1.2, - 2.97, - 2.95, - 0.2, - 1.93, - 1.78, - 3, - 0.2, - 0.74, - 3, - 2.1, - 4.3, - 0.25, - 7, - 4.7, - 13, - 16, - 25, - 17, - 7.4 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "IsoButane" - }, - "molarweight": 58.1222, - "tc": 407.81, - "rhoc": 3879.756788283995, - "ideal_gas": [ - { - "a1": 11.60865546, - "a2": -5.29450411, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.05956619, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 4.94641014, - 4.09475197, - 15.6632824, - 9.73918122 - ], - "t": [ - 0.951277902, - 2.387895885, - 4.346904269, - 10.36885864 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -17.6081648486994, - "a2": 10.3134499204439, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 4, - 4, - 1, - 1, - 2, - 7, - 8, - 8, - 1, - 2, - 3, - 3, - 4, - 5, - 5, - 10, - 2, - 6 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 3, - 3 - ], - "n": [ - 2.0686820727966, - -3.6400098615204, - 0.51968754427244, - 0.17745845870123, - -0.12361807851599, - 0.045145314010528, - 0.03047647996598, - 0.75508387706302, - -0.85885381015629, - 0.036324009830684, - -0.01954879945055, - -0.004445239290496, - 0.004641076366646, - -0.071444097992825, - -0.080765060030713, - 0.15560460945053, - 0.0020318752160332, - -0.10624883571689, - 0.039807690546305, - 0.016371431292386, - 0.00053212200682628, - -0.0078681561156387, - -0.0030981191888963 - ], - "t": [ - 0.5, - 1, - 1.5, - 0, - 0.5, - 0.5, - 0.75, - 2, - 2.5, - 2.5, - 1.5, - 1, - 1.5, - 4, - 7, - 3, - 7, - 3, - 1, - 6, - 0, - 6, - 13 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 150, - 200 - ], - "d": [ - 1, - 2 - ], - "epsilon": [ - 0.85, - 1 - ], - "eta": [ - 10, - 10 - ], - "gamma": [ - 1.16, - 1.13 - ], - "n": [ - -0.042276036810382, - -0.0053001044558079 - ], - "t": [ - 2, - 0 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "HFE143m" - }, - "molarweight": 100.04, - "tc": 377.921, - "rhoc": 4648.140744, - "ideal_gas": [ - { - "a1": -17.97705674077087, - "a2": 12.92642879298097, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 273.15, - "Tc": 377.921, - "cp_over_R": 2.449945107759098, - "type": "IdealGasHelmholtzCP0Constant" - }, - { - "T0": 273.15, - "Tc": 377.921, - "c": [ - 0.03509543360059424, - -2.345308276941699e-05, - 5.592658198860973e-09 - ], - "t": [ - 1, - 2, - 3 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": 7.64964970449937e-05, - "a2": -8.0498560479886e-05, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 5, - 1, - 3, - 5, - 7, - 1, - 2, - 2, - 3, - 4, - 2, - 3, - 5 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3 - ], - "n": [ - 7.7715884, - -8.704257, - -0.28095049, - 0.14540153, - 0.0092291277, - -0.2141651, - 0.099475155, - 0.023247135, - -0.012873573, - -0.057366549, - 0.3650465, - -0.25433763, - -0.090896436, - 0.083503619, - 0.015477603, - -0.016641941, - 0.0052410163 - ], - "t": [ - 0.682, - 0.851, - 1.84, - 1.87, - 0.353, - 3.92, - 1.14, - 0.104, - 1.19, - 6.58, - 6.73, - 7.99, - 7.31, - 7.45, - 16.5, - 24.8, - 10.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Helium" - }, - "molarweight": 4.002602, - "tc": 5.1953, - "rhoc": 17383.7, - "ideal_gas": [ - { - "a1": 0.1871304489697973, - "a2": 0.4848903984696551, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "a1": -0.0138816556862182, - "a2": -0.0174381783145519, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 2, - 3, - 1, - 1, - 3, - 2, - 2, - 1 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.015559018, - 3.0638932, - -4.2420844, - 0.054418088, - -0.18971904, - 0.087856262, - 2.2833566, - -0.53331595, - -0.53296502, - 0.99444915, - -0.30078896, - -1.6432563 - ], - "t": [ - 1.0, - 0.425, - 0.63, - 0.69, - 1.83, - 0.575, - 0.925, - 1.585, - 1.69, - 1.51, - 2.9, - 0.8 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.2471, - 0.0983, - 0.1556, - 2.6782, - 2.7077, - 0.6621, - 0.1775, - 0.4821, - 0.3069, - 0.1758, - 1357.6577 - ], - "d": [ - 2, - 1, - 2, - 1, - 1, - 3, - 2, - 2, - 3, - 2, - 2 - ], - "epsilon": [ - 0.596, - 0.3423, - 0.761, - 0.9747, - 0.5868, - 0.5627, - 2.5346, - 3.6763, - 4.5245, - 5.039, - 0.959 - ], - "eta": [ - 1.5497, - 9.245, - 4.76323, - 6.3826, - 8.7023, - 0.255, - 0.3523, - 0.1492, - 0.05, - 0.1668, - 42.2358 - ], - "gamma": [ - 3.15, - 2.54505, - 1.2513, - 1.9416, - 0.5984, - 2.2282, - 1.606, - 3.815, - 1.61958, - 0.6407, - 1.076 - ], - "n": [ - 0.8029102, - 0.026838669, - 0.04687678, - -0.14832766, - 0.03016211, - -0.019986041, - 0.14283514, - 0.007418269, - -0.22989793, - 0.79224829, - -0.049386338 - ], - "t": [ - 1.26, - 3.51, - 2.785, - 1.0, - 4.22, - 0.83, - 1.575, - 3.447, - 0.73, - 1.634, - 6.13 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Novec649" - }, - "molarweight": 316.0438, - "tc": 441.81, - "rhoc": 1920, - "ideal_gas": [ - { - "a1": -30.6610503233, - "a2": 6.8305296372, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 29.8, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 29.8 - ], - "t": [ - 4.391027817387565 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 1, - 2, - 2, - 3, - 2, - 1, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 2, - 2 - ], - "n": [ - 0.05623648, - 2.973616, - -6.12697, - 3.44024, - 1.451737, - -2.837857, - 0.2077767, - 2.168307, - -2.124648, - -1.296704 - ], - "t": [ - 1, - 0.25, - 0.793, - 1.16, - 0.75, - 1.09, - 0.75, - 1.3, - 2.25, - 1.9 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.12, - 0.83, - 0.19, - 0.95, - 0.1, - 0.11, - 65 - ], - "d": [ - 1, - 1, - 2, - 2, - 3, - 3, - 1 - ], - "epsilon": [ - 1.16, - 0.793, - 1.13, - 0.527, - 1.19, - 0.83, - 0.82 - ], - "eta": [ - 0.32, - 1.32, - 1.35, - 1.48, - 0.51, - 1.3, - 5.15 - ], - "gamma": [ - 1.1, - 1.04, - 1.15, - 0.9, - 0.8, - 1.2, - 1.19 - ], - "n": [ - -1.010569, - 2.701505, - 0.8167202, - -1.814579, - 0.2075389, - -1.009347, - -0.04848043 - ], - "t": [ - 0.88, - 1.63, - 1.3, - 2, - 1.15, - 1.66, - 1.5 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "MethylStearate" - }, - "molarweight": 298.50381999999996, - "tc": 775, - "rhoc": 794.3, - "ideal_gas": [ - { - "a1": -1, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298, - "Tc": 775, - "c": [ - 29.72106947981784 - ], - "t": [ - -0.0916606 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "n": [ - 33.30818842134534, - 49.19097688945251, - 56.85291862189204 - ], - "t": [ - 0.7176387096774193, - 1.692709677419355, - 3.646077419354839 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 67.9678895651248, - "a2": -28.5988132374956, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.03959635, - 2.466654, - -3.89595, - -0.1167375, - 0.04127229, - -1.403734, - -0.6465264, - 1.934675, - -1.608124, - -0.01113813 - ], - "t": [ - 1, - 0.3, - 1.25, - 1.65, - 0.8, - 3.1, - 3.4, - 2.3, - 3.8, - 1.2 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.9, - 0.65, - 0.75 - ], - "d": [ - 1, - 1, - 3 - ], - "epsilon": [ - 0.79, - 0.9, - 0.76 - ], - "eta": [ - 1.1, - 1.6, - 1.1 - ], - "gamma": [ - 1.14, - 0.65, - 0.77 - ], - "n": [ - 2.125325, - -0.7772671, - -0.4183684 - ], - "t": [ - 3.2, - 3.8, - 3.8 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R23" - }, - "molarweight": 70.01385, - "tc": 299.293, - "rhoc": 7519.999999999999, - "ideal_gas": [ - { - "a1": -8.31386064, - "a2": 6.55087253, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.999, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 2.371, - 3.237, - 2.61, - 0.8274 - ], - "t": [ - 2.485858339486724, - 4.874821663052594, - 7.133477896242144, - 16.4086697650797 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 5, - 1, - 2, - 3, - 5, - 1, - 2, - 2, - 4, - 4, - 4, - 2, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 2, - 3, - 4 - ], - "n": [ - 7.041529, - -8.259512, - 0.00805304, - -0.08617615, - 0.00633341, - -0.1863285, - 0.328051, - 0.5191023, - 0.06916144, - -0.005045875, - -0.01744221, - -0.05003972, - 0.04729813, - -0.06164031, - 0.01583585, - -0.00179579, - -0.001099007 - ], - "t": [ - 0.744, - 0.94, - 4.3, - 1.46, - 0.68, - 4.8, - 1.5, - 2.07, - 0.09, - 9.6, - 0.19, - 11.2, - 0.27, - 1.6, - 10.3, - 14, - 15 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R152A" - }, - "molarweight": 66.051, - "tc": 386.411, - "rhoc": 5571.45, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298.15, - "Tc": 386.411, - "c": [ - 3.354951, - 0.0109864910678, - 2.50161504325e-05, - -2.78744429549e-08 - ], - "t": [ - 0, - 1, - 2, - 3 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": -14.5767531651083, - "a2": 11.1518708142201, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 4, - 5, - 5, - 6, - 7, - 7, - 8, - 0, - 0, - 0, - 2, - 2, - 2, - 4, - 4, - 4, - 6, - 6, - 6, - 8, - 8, - 8, - 10, - 10, - 10 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2 - ], - "n": [ - -3.546579500185174, - -0.3646312799563631, - 0.03332333306112814, - -0.6809684338301859, - 7.3521264810280345, - -11.247306378057127, - 5.499167142976577, - -2.401863270213656, - -0.07090364464394744, - -0.2132008868213696, - 0.19783973673284622, - 1.824947698265976, - -0.08605464767044602, - 0.8881373668542004, - -0.9661273471407773, - -0.09852234785295554, - 0.018341936863418316, - -0.03385502040688226, - 0.012492110085780536, - -0.002210567071037713, - 0.002168791332779416, - -0.0002335976904702689, - 3.546579500185174, - 0.3646312799563631, - -0.03332333306112814, - 2.7613383040168675, - -0.06911857102367282, - -0.03332333306112814, - 0.7827613268561544, - -0.03455928551183641, - 0.13781353206688696, - 0.18617312581521558, - -0.03411193928992716, - 0.04593784402229564, - 0.021647001270605898, - -0.00852798482248179, - 0.006203940397171849, - 0.0018521029114874563, - 0.00101674662708817, - 0.0012407880794343697 - ], - "t": [ - 3, - 4, - 5, - 0.0, - 0.5, - 1.0, - 2.0, - 3.0, - 0.0, - 1.0, - 2.0, - 3.0, - 0.0, - 1.0, - 2.0, - 1.0, - 2.0, - 3.0, - 2.0, - 2.0, - 3.0, - 3.0, - 3, - 4, - 5, - 3, - 4, - 5, - 3, - 4, - 5, - 3, - 4, - 5, - 3, - 4, - 5, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "DimethylEther" - }, - "molarweight": 46.06844, - "tc": 400.378, - "rhoc": 5940.000000000001, - "ideal_gas": [ - { - "a1": -1.980976, - "a2": 3.171218, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.039, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 2.641, - 2.123, - 8.992, - 6.191 - ], - "t": [ - 0.901647942694154, - 2.432701097462898, - 4.785477723551244, - 10.36520488138709 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7, - 1 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1, - 1 - ], - "n": [ - 0.029814139, - 1.43517, - -2.64964, - -0.29515532, - 0.17035607, - -0.94642918, - -0.099250514, - 1.1264071, - -0.76936548, - -0.020717696, - 0.24527037 - ], - "t": [ - 1, - 0.4366, - 1.011, - 1.137, - 0.45, - 2.83, - 1.5, - 1.235, - 2.675, - 0.7272, - 1.816 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.28719, - 0.806235, - 0.777942, - 197.681 - ], - "d": [ - 1, - 1, - 3, - 3 - ], - "epsilon": [ - 0.672698, - 0.924246, - 0.750815, - 0.800022 - ], - "eta": [ - 0.965336, - 1.50858, - 0.963855, - 9.72643 - ], - "gamma": [ - 1.27772, - 0.43075, - 0.429607, - 1.13849 - ], - "n": [ - 1.1863438, - -0.49398368, - -0.16388716, - -0.027583584 - ], - "t": [ - 1.783, - 3.779, - 3.282, - 1.059 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "CarbonDioxide" - }, - "molarweight": 44.0098, - "tc": 304.1282, - "rhoc": 10624.9063, - "ideal_gas": [ - { - "a1": 8.37304456, - "a2": -3.70454304, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 1.99427042, - 0.62105248, - 0.41195293, - 1.04028922, - 0.08327678 - ], - "t": [ - 3.15163, - 6.1119, - 6.77708, - 11.32384, - 27.08792 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -14.4979156224319, - "a2": 8.82013935801453, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 2, - 2, - 3, - 1, - 2, - 4, - 5, - 5, - 5, - 6, - 6, - 6, - 1, - 1, - 4, - 4, - 4, - 7, - 8, - 2, - 3, - 3, - 5, - 5, - 6, - 7, - 8, - 10, - 4, - 8 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 4, - 4, - 4, - 4, - 4, - 4, - 5, - 6 - ], - "n": [ - 0.388568232032, - 2.93854759427, - -5.5867188535, - -0.767531995925, - 0.317290055804, - 0.548033158978, - 0.122794112203, - 2.16589615432, - 1.58417351097, - -0.231327054055, - 0.0581169164314, - -0.553691372054, - 0.489466159094, - -0.0242757398435, - 0.0624947905017, - -0.121758602252, - -0.370556852701, - -0.0167758797004, - -0.11960736638, - -0.0456193625088, - 0.0356127892703, - -0.00744277271321, - -0.00173957049024, - -0.0218101212895, - 0.0243321665592, - -0.0374401334235, - 0.143387157569, - -0.134919690833, - -0.0231512250535, - 0.0123631254929, - 0.00210583219729, - -0.000339585190264, - 0.00559936517716, - -0.000303351180556 - ], - "t": [ - 0, - 0.75, - 1, - 2, - 0.75, - 2, - 0.75, - 1.5, - 1.5, - 2.5, - 0, - 1.5, - 2, - 0, - 1, - 2, - 3, - 6, - 3, - 6, - 8, - 6, - 0, - 7, - 12, - 16, - 22, - 24, - 16, - 24, - 8, - 2, - 28, - 14 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 325, - 300, - 300, - 275, - 275 - ], - "d": [ - 2, - 2, - 2, - 3, - 3 - ], - "epsilon": [ - 1, - 1, - 1, - 1, - 1 - ], - "eta": [ - 25, - 25, - 25, - 15, - 20 - ], - "gamma": [ - 1.16, - 1.19, - 1.19, - 1.25, - 1.22 - ], - "n": [ - -213.654886883, - 26641.5691493, - -24027.2122046, - -283.41603424, - 212.472844002 - ], - "t": [ - 1, - 0, - 1, - 3, - 3 - ], - "type": "ResidualHelmholtzGaussian" - }, - { - "A": [ - 0.7, - 0.7, - 0.7 - ], - "B": [ - 0.3, - 0.3, - 1 - ], - "C": [ - 10, - 10, - 12.5 - ], - "D": [ - 275, - 275, - 275 - ], - "a": [ - 3.5, - 3.5, - 3 - ], - "b": [ - 0.875, - 0.925, - 0.875 - ], - "beta": [ - 0.3, - 0.3, - 0.3 - ], - "n": [ - -0.666422765408, - 0.726086323499, - 0.0550686686128 - ], - "type": "ResidualHelmholtzNonAnalytic" - } - ] - }, - { - "identifier": { - "name": "R21" - }, - "molarweight": 102.9227, - "tc": 451.48, - "rhoc": 5110.765599999999, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298.15, - "Tc": 451.48, - "c": [ - 2.941888561986215, - 0.01573866857206258, - 4.012367529660798e-06, - -3.085298103142579e-08, - 2.125677686617732e-11 - ], - "t": [ - 0, - 1, - 2, - 3, - 4 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": -19.5492777147267, - "a2": 12.6393155496886, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3, - 4, - 4, - 5, - 0, - 0, - 0 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0 - ], - "n": [ - 0.50467662375195, - -0.732431416212257, - -0.868403860880684, - 0.146234705622829, - -0.280576335158724, - 0.864743657302055, - -2.70767234069002, - 3.30476391081085, - -0.210878239585469, - 0.449531450327333, - 0.120779813434928, - -0.277297954448155, - 0.030544129220629, - -44.3864848810647, - 9.26505601085111, - -0.551709104525115 - ], - "t": [ - 0, - 1, - 2, - 3, - 4, - 0, - 1, - 2, - 0, - 1, - 0, - 1, - 1, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzPower" - }, - { - "d": [ - 2, - 2, - 2, - 0, - 0, - 0 - ], - "g": [ - 0.07470252, - 0.07470252, - 0.07470252, - 0.07470252, - 0.07470252, - 0.07470252 - ], - "l": [ - 2, - 2, - 2, - 2, - 2, - 2 - ], - "n": [ - 1.21128809697908, - 0.167119476809363, - -0.0504876793555323, - 44.3864848810647, - -9.26505601085111, - 0.551709104525115 - ], - "t": [ - 3, - 4, - 5, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzExponential" - } - ] - }, - { - "identifier": { - "name": "R1233zd(E)" - }, - "molarweight": 130.4944, - "tc": 439.6, - "rhoc": 3680.0, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298.15, - "Tc": 439.6, - "c": [ - 4 - ], - "t": [ - 0 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "n": [ - 11.795, - 8.6848 - ], - "t": [ - 1.4331210191082802, - 5.072793448589627 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -20.872151262403126, - "a2": 13.935740313938968, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - }, - { - "a1": 1.9693156407682189, - "a2": -1.127035692088709, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.0478487, - 1.60644, - -2.27161, - -0.530687, - 0.169641, - -1.85458, - -0.321916, - 0.636411, - -0.121482, - -0.0262755 - ], - "t": [ - 1, - 0.26, - 1.02, - 0.7, - 0.4, - 1.46, - 2.3, - 0.66, - 2.7, - 1.19 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.29, - 1.61, - 0.8, - 1.34, - 0.49 - ], - "d": [ - 1, - 1, - 3, - 2, - 2 - ], - "epsilon": [ - 0.508, - 0.366, - 0.38, - 0.773, - 1.17 - ], - "eta": [ - 0.748, - 1.473, - 1.39, - 0.86, - 1.8 - ], - "gamma": [ - 0.89, - 1.13, - 0.7, - 0.91, - 1.2 - ], - "n": [ - 2.37362, - -0.901771, - -0.455962, - -0.602941, - -0.0594311 - ], - "t": [ - 1.62, - 1.13, - 1.7, - 1.35, - 1.5 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R245ca" - }, - "molarweight": 134.04794, - "tc": 447.57, - "rhoc": 3920, - "ideal_gas": [ - { - "a1": -18.09410031, - "a2": 8.996084665, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 7.888, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 0.8843, - 14.46, - 5.331 - ], - "t": [ - 1.9326585785463726, - 2.5068704336751795, - 6.323033268539 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.04489247, - 1.526476, - -2.40832, - -0.5288088, - 0.18222346, - -1.063228, - -0.223149, - 1.18738, - -0.9772383, - -0.02296938 - ], - "t": [ - 1, - 0.26, - 1, - 1.2, - 0.67, - 1.92, - 2, - 1.5, - 1.93, - 1.06 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 2.4, - 1.5, - 4.2, - 379 - ], - "d": [ - 1, - 1, - 3, - 3 - ], - "epsilon": [ - 0.55, - 0.724, - 0.524, - 0.857 - ], - "eta": [ - 1.16, - 1.1, - 1.64, - 13.8 - ], - "gamma": [ - 1.265, - 0.42, - 0.864, - 1.15 - ], - "n": [ - 1.364444, - -0.5080666, - -0.06649496, - -1.128359 - ], - "t": [ - 0.17, - 3.9, - 1, - 1 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R116" - }, - "molarweight": 138.01182, - "tc": 293.03, - "rhoc": 4444, - "ideal_gas": [ - { - "a1": -10.7088650331, - "a2": 8.9148979056, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 2.4818, - 7.0622, - 7.9951 - ], - "t": [ - 0.6483977749718459, - 2.122649558065727, - 5.016551206361124 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 1.1632, - -2.8123, - 0.77202, - -0.14331, - 0.10227, - 0.00024629, - 0.30893, - -0.028499, - -0.30343, - -0.068793, - -0.027218, - 0.010665 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Nitrogen" - }, - "molarweight": 28.01348, - "tc": 126.192, - "rhoc": 11183.901464580624, - "ideal_gas": [ - { - "a1": -12.76952708, - "a2": -0.00784163, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -0.0001934819, - -1.247742e-05, - 6.678326e-08 - ], - "t": [ - -1, - -2, - -3 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "Tcrit": 126.192, - "Tcrit_units": "K", - "n": [ - 1.012941 - ], - "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", - "v": [ - 3364.011 - ] - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 2, - 2, - 3, - 3, - 1, - 1, - 1, - 3, - 3, - 4, - 6, - 6, - 7, - 7, - 8, - 8, - 1, - 2, - 3, - 4, - 5, - 8, - 4, - 5, - 5, - 8, - 3, - 5, - 6, - 9 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 3, - 4, - 4, - 4, - 4 - ], - "n": [ - 0.924803575275, - -0.492448489428, - 0.661883336938, - -1.92902649201, - -0.0622469309629, - 0.349943957581, - 0.564857472498, - -1.61720005987, - -0.481395031883, - 0.421150636384, - -0.0161962230825, - 0.172100994165, - 0.00735448924933, - 0.0168077305479, - -0.00107626664179, - -0.0137318088513, - 0.000635466899859, - 0.00304432279419, - -0.0435762336045, - -0.0723174889316, - 0.0389644315272, - -0.021220136391, - 0.00408822981509, - -5.51990017984e-05, - -0.0462016716479, - -0.00300311716011, - 0.0368825891208, - -0.0025585684622, - 0.00896915264558, - -0.0044151337035, - 0.00133722924858, - 0.000264832491957 - ], - "t": [ - 0.25, - 0.875, - 0.5, - 0.875, - 0.375, - 0.75, - 0.5, - 0.75, - 2, - 1.25, - 3.5, - 1, - 0.5, - 3, - 0, - 2.75, - 0.75, - 2.5, - 4, - 6, - 6, - 3, - 3, - 6, - 16, - 11, - 15, - 12, - 12, - 7, - 4, - 16 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 325, - 325, - 300, - 275 - ], - "d": [ - 1, - 1, - 3, - 2 - ], - "epsilon": [ - 1, - 1, - 1, - 1 - ], - "eta": [ - 20, - 20, - 15, - 25 - ], - "gamma": [ - 1.16, - 1.16, - 1.13, - 1.25 - ], - "n": [ - 19.6688194015, - -20.911560073, - 0.0167788306989, - 2627.67566274 - ], - "t": [ - 0, - 1, - 2, - 3 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "D5" - }, - "molarweight": 370.7697, - "tc": 618.3, - "rhoc": 810, - "ideal_gas": [ - { - "a1": 94.38924286309562, - "a2": -31.110222240232282, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 51.0, - 57.9, - 35.0 - ], - "t": [ - 0.3574316674753356, - 2.802846514636908, - 7.349183244379751 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.0177345, - 4.3133088, - -6.1586863, - -1.4503945, - 0.9519342, - -2.3848036, - -1.4114529, - 0.7255071, - -2.9966803, - -0.0902228 - ], - "t": [ - 1.0, - 0.43, - 0.754, - 0.84, - 0.72, - 2.35, - 2.58, - 0.66, - 1.71, - 1.0163 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.37, - 0.11, - 0.1, - 0.37, - 519.0 - ], - "d": [ - 1, - 3, - 2, - 2, - 1 - ], - "epsilon": [ - 0.787, - 0.567, - 0.685, - 0.577, - 0.936 - ], - "eta": [ - 1.046, - 0.993, - 0.545, - 1.128, - 13.9 - ], - "gamma": [ - 1.626, - 1.05, - 1.11, - 1.22, - 1.083 - ], - "n": [ - 6.3033323, - -1.0592923, - 0.79365281, - -1.8982515, - -0.01351964 - ], - "t": [ - 1.114, - 1.85, - 0.9, - 1.05, - 1.09 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "IsoButene" - }, - "molarweight": 56.10631999999999, - "tc": 418.09, - "rhoc": 4170, - "ideal_gas": [ - { - "a1": -0.12737888, - "a2": 2.3125128, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 4.8924, - 7.832, - 7.2867, - 8.7293 - ], - "t": [ - 0.9543399746466072, - 3.037623478198474, - 4.795618168336961, - 9.60797914324667 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.77111, - -2.7971, - 1.0118, - 0.02073, - 0.085086, - 0.00021968, - 0.20633, - -0.078843, - -0.23726, - -0.080211, - -0.027001, - 0.013072 - ], - "t": [ - 0.12, - 1.3, - 1.74, - 2.1, - 0.28, - 0.69, - 0.75, - 2, - 4.4, - 4.7, - 15, - 14 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Neon" - }, - "molarweight": 20.179, - "tc": 44.4, - "rhoc": 24100, - "ideal_gas": [ - { - "a1": -3.0384719151147275, - "a2": 3.253690479855404, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 4, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1, - 1 - ], - "n": [ - 0.031522418, - 3.7716418, - -4.27399448, - -0.756466758, - 0.066679921, - -0.356928434, - -0.053124761, - 0.9407234, - -0.969302374, - 0.461243234, - 0.008184422 - ], - "t": [ - 1.0, - 0.431, - 0.592, - 1.105, - 0.49, - 2.3, - 3.18, - 1.36, - 2.0, - 0.5, - 1.12 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.537, - 0.765, - 0.883, - 0.751, - 0.531, - 11.4 - ], - "d": [ - 1, - 1, - 3, - 2, - 1, - 2 - ], - "epsilon": [ - 0.5775, - 0.9137, - 0.7895, - 0.6229, - 0.4992, - 0.869 - ], - "eta": [ - 0.76, - 2.126, - 2.168, - 2.033, - 0.743, - 4.38 - ], - "gamma": [ - 1.997, - 1.782, - 1.663, - 1.837, - 1.953, - 1.658 - ], - "n": [ - 7.84771604, - 6.39604094, - -1.27480579, - -5.51887999, - -8.76652276, - -0.351732709 - ], - "t": [ - 0.41, - 0.64, - 0.579, - 0.6, - 0.52, - 0.655 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Krypton" - }, - "molarweight": 83.798, - "tc": 209.48, - "rhoc": 10850, - "ideal_gas": [ - { - "a1": -3.7506412806, - "a2": 3.7798018435, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.83561, - -2.3725, - 0.54567, - 0.014361, - 0.066502, - 0.0001931, - 0.16818, - -0.033133, - -0.15008, - -0.022897, - -0.021454, - 0.0069397 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "D6" - }, - "molarweight": 444.924, - "tc": 645.78, - "rhoc": 627.2885477999996, - "ideal_gas": [ - { - "a1": -7.938561730464921, - "a2": 8.452340963237452, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 518.109977174843, - "Tc": 645.78, - "c": [ - 56.37158920013201, - 118.0111016069331, - 1792.1, - 82.5909330141469, - 786.8 - ], - "type": "IdealGasHelmholtzCP0AlyLee" - }, - { - "a1": 16.2776881308826, - "a2": -9.86112982952628, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 1.69156186, - -3.37962568, - 0.38609039, - 0.064598995, - 0.10589012, - 4.5456825e-05, - 0.74169279, - -0.088102648, - -0.17373336, - -0.10951368, - -0.062695695, - 0.037459986 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R1336mzz(E)" - }, - "molarweight": 164.0491, - "tc": 403.53, - "rhoc": 3129.0, - "ideal_gas": [ - { - "a1": 0.0, - "a2": 0.0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.0, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -17.583859885194016, - 11.524417012948918 - ], - "t": [ - 0.0, - 1.0 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 15.891, - 14.143 - ], - "t": [ - 1.3629717740936238, - 8.609025351275 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.08297005, - 1.1213658, - -2.0279038680756, - -0.3486706213113, - 0.13227952, - -1.3751844, - -1.3939029, - 0.11190839, - -0.90635088, - -0.050014594 - ], - "t": [ - 1.0, - 0.117, - 1.0, - 1.0, - 0.413, - 2.44, - 2.51, - 0.535, - 1.927, - 1.186 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.237, - 0.384, - 1.24, - 0.46, - 1.326 - ], - "d": [ - 1, - 1, - 3, - 2, - 2 - ], - "epsilon": [ - 1.23, - 0.751, - 0.522, - 0.32, - 1.22 - ], - "eta": [ - 1.234, - 1.34, - 1.13, - 1.15, - 1.3 - ], - "gamma": [ - 1.21, - 2.0, - 1.216, - 2.27, - 1.26 - ], - "n": [ - 1.7953748, - 2.0579712, - -1.0433081, - -1.2459808, - -0.49712249 - ], - "t": [ - 0.876, - 1.23, - 0.875, - 0.5181, - 0.86 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R141b" - }, - "molarweight": 116.94962000000001, - "tc": 477.5, - "rhoc": 3921.000000000001, - "ideal_gas": [ - { - "a1": -15.5074814985, - "a2": 9.1871858933, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 6.8978, - 7.8157, - 3.2039 - ], - "t": [ - 1.05130890052356, - 3.290052356020942, - 9.63979057591623 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 3, - 7, - 1, - 2, - 5, - 1, - 1, - 4, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 2, - 2, - 2, - 3 - ], - "n": [ - 1.1469, - -3.6799, - 1.3469, - 0.083329, - 0.00025137, - 0.3272, - 0.46946, - -0.029829, - -0.31621, - -0.026219, - -0.078043, - -0.020498 - ], - "t": [ - 0.25, - 1.25, - 1.5, - 0.25, - 0.875, - 2.375, - 2, - 2.125, - 3.5, - 6.5, - 4.75, - 12.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "p-Xylene" - }, - "molarweight": 106.16499999999999, - "tc": 616.168, - "rhoc": 2693.92, - "ideal_gas": [ - { - "a1": 5.9815241, - "a2": -0.52477835, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 4.2430504, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 5.2291378, - 19.549862, - 16.656178, - 5.9390291 - ], - "t": [ - 0.6718946780748107, - 2.038405110294595, - 4.299152179275782, - 10.84282208748263 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 5, - 1, - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.0010786811, - -0.103161822, - 0.0421544125, - 1.47865376, - -2.4266, - -0.46575193, - 0.190290995, - -1.06376565, - -0.209934069, - 1.25159879, - -0.951328356, - -0.0269980032 - ], - "t": [ - 1, - 0.83, - 0.83, - 0.281, - 0.932, - 1.1, - 0.443, - 2.62, - 2.5, - 1.2, - 3, - 0.778 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 2.445, - 1.483, - 4.971, - 413 - ], - "d": [ - 1, - 1, - 3, - 3 - ], - "epsilon": [ - 0.54944, - 0.7234, - 0.4926, - 0.8459 - ], - "eta": [ - 1.179, - 1.065, - 1.764, - 13.675 - ], - "gamma": [ - 1.267, - 0.4242, - 0.864, - 1.1465 - ], - "n": [ - 1.3710318, - -0.494160616, - -0.0724317468, - -3.69464746 - ], - "t": [ - 1.13, - 4.5, - 2.2, - 2 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "MethylLinoleate" - }, - "molarweight": 294.47206, - "tc": 799, - "rhoc": 808.4, - "ideal_gas": [ - { - "a1": -1, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298, - "Tc": 799, - "c": [ - 22.97031008102499 - ], - "t": [ - 0.020213 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "n": [ - 52.60358084073167, - 34.54482738049993, - 38.72236264672008 - ], - "t": [ - 3.81991239048811, - 0.9344568210262828, - 2.032953692115144 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 56.2531140679551, - "a2": -23.9733038177064, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.03183187, - 1.927286, - -3.685053, - 0.08449312, - -0.9766643, - -0.4323178, - 2.00047, - -1.75203, - -0.01726895 - ], - "t": [ - 1, - 0.2, - 1.2, - 1, - 2.2, - 2.5, - 1.8, - 1.92, - 1.47 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.9, - 0.65, - 0.75 - ], - "d": [ - 1, - 1, - 3 - ], - "epsilon": [ - 0.79, - 0.9, - 0.76 - ], - "eta": [ - 1.1, - 1.6, - 1.1 - ], - "gamma": [ - 1.14, - 0.65, - 0.77 - ], - "n": [ - 2.116515, - -0.7884271, - -0.3811699 - ], - "t": [ - 1.7, - 2.3, - 2.1 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "MD2M" - }, - "molarweight": 310.6854, - "tc": 599.4, - "rhoc": 864, - "ideal_gas": [ - { - "a1": 131.089725, - "a2": -26.3839138, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 28.59, - 56.42, - 50.12 - ], - "t": [ - 0.033366700033366704, - 1.9686353019686353, - 7.073740407073741 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.01458333, - 3.227554, - -3.503565, - -2.017391, - 0.8606129, - -2.196015, - -0.9289014, - 2.02774, - -0.9168439, - -0.06383507 - ], - "t": [ - 1.0, - 0.319, - 0.829, - 0.78, - 0.687, - 1.29, - 3.91, - 0.77, - 3.055, - 1.013 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.7323, - 0.543, - 1.26, - 0.878, - 2.22 - ], - "d": [ - 1, - 1, - 3, - 2, - 2 - ], - "epsilon": [ - 0.874, - 1.43, - 0.855, - 0.815, - 0.491 - ], - "eta": [ - 0.982, - 2.7, - 1.347, - 0.864, - 1.149 - ], - "gamma": [ - 1.042, - 1.1, - 1.146, - 1.085, - 0.6844 - ], - "n": [ - 2.674255, - 0.04662529, - -0.3835361, - -0.4273462, - -1.148009 - ], - "t": [ - 1.07, - 1.89, - 1.133, - 0.826, - 0.83 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R407C" - }, - "molarweight": 86.2036, - "tc": 359.345, - "rhoc": 5260.000046401775, - "ideal_gas": [ - { - "a1": 2.13194, - "a2": 8.05008, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -14.3914 - ], - "t": [ - -0.4 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "n": [ - 1.4245, - 3.9419, - 3.1209 - ], - "t": [ - 2.40437, - 5.25122, - 13.3632 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 5, - 1, - 2, - 2, - 3, - 3, - 5, - 5, - 5, - 1, - 1, - 4, - 4, - 2, - 4, - 5, - 6 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 3 - ], - "n": [ - 1.0588, - -1.12018, - 0.629064, - -0.351953, - 0.00455978, - -1.75725, - -1.12009, - 0.0277353, - 0.898881, - -1.17591, - 0.0818591, - -0.0794097, - -1.04047e-05, - 0.233779, - -0.29179, - 0.0154776, - -0.0314579, - -0.00442552, - -0.0101254, - 0.00915953, - -0.003615 - ], - "t": [ - 0.241, - 0.69, - 2.58, - 1.15, - 0.248, - 2.15, - 2.43, - 5.3, - 0.76, - 1.48, - 0.24, - 2.86, - 8, - 3.3, - 4.7, - 0.45, - 8.4, - 16.2, - 26, - 16, - 8.7 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Dichloroethane" - }, - "molarweight": 98.959, - "tc": 561.6, - "rhoc": 4330, - "ideal_gas": [ - { - "a1": 25.029988, - "a2": -4.8999527, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.0, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 5.35, - 10.05 - ], - "t": [ - 0.04006410256410256, - 3.587962962962963 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.051, - 1.99, - -2.595, - -0.6653, - 0.23595, - -1.7, - -0.4453, - 0.672474, - -0.21918, - -0.03554 - ], - "t": [ - 1.0, - 0.352, - 0.89, - 0.824, - 0.498, - 1.63, - 4.07, - 0.679, - 2.85, - 1.07 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.574, - 1.8, - 0.462, - 3.22, - 2.22 - ], - "d": [ - 1, - 1, - 3, - 3, - 1 - ], - "epsilon": [ - 0.571, - 0.862, - 0.597, - 1.16, - 0.208 - ], - "eta": [ - 0.66, - 1.36, - 0.711, - 1.7, - 1.11 - ], - "gamma": [ - 0.995, - 0.329, - 0.525, - 0.85, - 0.585 - ], - "n": [ - 0.9765, - -0.495179, - -0.23291174, - -0.01090245, - 0.39209 - ], - "t": [ - 1.7, - 2.09, - 1.93, - 3.72, - 1.58 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Toluene" - }, - "molarweight": 92.13842, - "tc": 591.75, - "rhoc": 3169, - "ideal_gas": [ - { - "a1": 3.5241174832, - "a2": 1.1360823464, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 1.6994, - 8.0577, - 17.059, - 8.4567, - 8.6423 - ], - "t": [ - 0.3210815378115758, - 1.346852555978031, - 2.735952682720744, - 5.191381495564005, - 13.37558090409801 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.96464, - -2.7855, - 0.86712, - -0.1886, - 0.11804, - 0.00025181, - 0.57196, - -0.029287, - -0.43351, - -0.1254, - -0.028207, - 0.014076 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Isopentane" - }, - "molarweight": 72.14878, - "tc": 460.35, - "rhoc": 3271, - "ideal_gas": [ - { - "a1": 2.5822330405, - "a2": 1.1609103419, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 7.4056, - 9.5772, - 15.765, - 12.119 - ], - "t": [ - 0.9601390246551537, - 2.409036602584989, - 4.494406429890301, - 9.108287172803301 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 1.0963, - -3.0402, - 1.0317, - -0.1541, - 0.11535, - 0.00029809, - 0.39571, - -0.045881, - -0.35804, - -0.10107, - -0.035484, - 0.018156 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R123" - }, - "molarweight": 152.931, - "tc": 456.831, - "rhoc": 3596.417, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298, - "Tc": 456.82, - "cp_over_R": 2.046009, - "type": "IdealGasHelmholtzCP0Constant" - }, - { - "T0": 298, - "Tc": 456.82, - "c": [ - 0.04866685127621383, - -5.586658475955018e-05, - 2.823486262027407e-08 - ], - "t": [ - 1, - 2, - 3 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": -26.675860613148, - "a2": 16.0562030850291, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 4, - 5, - 5, - 6, - 7, - 7, - 8, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 2, - 4, - 4, - 4, - 6, - 6, - 6, - 8, - 8, - 8, - 10, - 10, - 10 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2 - ], - "n": [ - -0.2843794314511017, - 5.939281103209252, - -9.3656038952803, - 4.166607936753421, - -1.7402329295113845, - 0.17701990536487813, - -1.5472169226048678, - 1.618204955902326, - 2.889035293831577, - -0.11849387475720602, - 1.3095226620887583, - -1.1730810371070863, - -0.1281251319502905, - -0.07860873875128996, - -0.08160004993052974, - 0.053645105431063045, - -0.006800782119285551, - 0.007012640821910758, - -0.0009017623973110119, - -10.024264609507279, - -0.28060765935596244, - 0.020681452051475355, - 10.024264609507279, - 0.28060765935596244, - -0.020681452051475355, - 7.989238691092167, - -0.5479720681527366, - -0.020681452051475355, - 2.4914272182002284, - -0.2739860340763683, - 0.23600186106591514, - 0.5405282468302359, - -0.06004575637764492, - 0.07866728702197172, - 0.0708085870232336, - -0.01501143909441123, - 0.001822051976772171, - 0.0031497857360693253, - 0.007844555699191144, - 0.0003644103953544342 - ], - "t": [ - 0.0, - 0.5, - 1.0, - 2.0, - 3.0, - 0.0, - 1.0, - 2.0, - 3.0, - 0.0, - 1.0, - 2.0, - 1.0, - 2.0, - 3.0, - 2.0, - 2.0, - 3.0, - 3.0, - 3, - 4, - 5, - 3, - 4, - 5, - 3, - 4, - 5, - 3, - 4, - 5, - 3, - 4, - 5, - 3, - 4, - 5, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "RC318" - }, - "molarweight": 200.03119999999998, - "tc": 388.38, - "rhoc": 3099.38, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 298.15, - "Tc": 388.38, - "c": [ - 2.911028455074322, - 0.06984062483537816, - -6.093191543939451e-05, - 1.857067747732578e-08 - ], - "t": [ - 0, - 1, - 2, - 3 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "a1": -32.5172232538152, - "a2": 20.7826742209953, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3, - 4, - 4, - 5, - 0, - 0, - 0 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0 - ], - "n": [ - 1.09415573664603, - -2.68265247887176, - 1.73403070801418, - -1.63611253452478, - 0.304834511239559, - 0.102771559991302, - -0.023236791408773, - 0.166151971110653, - -0.0250103944487447, - 0.0935681090149423, - 0.043192919662493, - -0.133439867188959, - 0.025541668325497, - -1.04729119771286, - 1.38034128674154, - -0.333625770182218 - ], - "t": [ - 0, - 1, - 2, - 3, - 4, - 0, - 1, - 2, - 0, - 1, - 0, - 1, - 1, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzPower" - }, - { - "d": [ - 2, - 2, - 2, - 0, - 0, - 0 - ], - "g": [ - 0.99944, - 0.99944, - 0.99944, - 0.99944, - 0.99944, - 0.99944 - ], - "l": [ - 2, - 2, - 2, - 2, - 2, - 2 - ], - "n": [ - -0.510485822124397, - 1.81840742529488, - -1.38530904967474, - 1.04729119771286, - -1.38034128674154, - 0.333625770182218 - ], - "t": [ - 3, - 4, - 5, - 3, - 4, - 5 - ], - "type": "ResidualHelmholtzExponential" - } - ] - }, - { - "identifier": { - "name": "R22" - }, - "molarweight": 86.468, - "tc": 369.295, - "rhoc": 6058.220000000001, - "ideal_gas": [ - { - "a1": -15.86079407387002, - "a2": 11.68367319965483, - "type": "IdealGasHelmholtzLead" - }, - { - "a": -1, - "type": "IdealGasHelmholtzLogTau" - }, - { - "T0": 273.15, - "Tc": 369.295, - "cp_over_R": 4.00526140446, - "type": "IdealGasHelmholtzCP0Constant" - }, - { - "T0": 273.15, - "Tc": 369.295, - "c": [ - 0.000120662553 - ], - "t": [ - 1 - ], - "type": "IdealGasHelmholtzCP0PolyT" - }, - { - "n": [ - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1 - ], - "t": [ - 11.78545471777306, - 5.240144329059424, - 5.111575732138263, - 4.589509308276581, - 4.34795618678834, - 3.147982615524174, - 2.322026780757931, - 1.640223615266927, - 1.437630674663887 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 1.17703822802506, - "a2": -0.622087185111783, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3, - 4, - 5, - 6, - 7, - 7, - 7, - 8, - 8, - 2, - 2, - 2, - 2, - 3, - 4, - 4, - 4, - 4, - 6, - 6, - 6, - 8, - 8, - 8 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 2, - 2, - 3, - 2, - 2, - 2, - 4, - 2, - 2, - 4, - 2, - 2, - 4 - ], - "n": [ - 0.0695645445236, - 25.2275419999, - -202.351148311, - 350.063090302, - -223.134648863, - 48.8345904592, - 0.0108874958556, - 0.590315073614, - -0.689043767432, - 0.284224445844, - 0.125436457897, - -0.0113338666416, - -0.063138895917, - 0.00974021015232, - -0.000408406844722, - 0.00074194877357, - 0.000315912525922, - 8.76009723338e-06, - -0.000110343340301, - -7.05323356879e-05, - 0.23585073151, - -0.192640494729, - 0.00375218008557, - -4.48926036678e-05, - 0.0198120520635, - -0.0356958425255, - 0.0319594161562, - 2.60284291078e-06, - -0.00897629021967, - 0.0345482791645, - -0.00411831711251, - 0.00567428536529, - -0.00563368989908, - 0.00191384919423, - -0.00178930036389 - ], - "t": [ - -1, - 1.75, - 2.25, - 2.5, - 2.75, - 3, - 5.5, - 1.5, - 1.75, - 3.5, - 1, - 4.5, - 1.5, - 0.5, - 4.5, - 1, - 4, - 5, - -0.5, - 3.5, - 5, - 7, - 12, - 15, - 3.5, - 3.5, - 8, - 15, - 25, - 3, - 9, - 19, - 2, - 7, - 13 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "DiethylEther" - }, - "molarweight": 74.1216, - "tc": 466.7, - "rhoc": 3561.7148, - "ideal_gas": [ - { - "a1": 17.099494, - "a2": -6.160844, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.36281, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - -8.943822, - 0.54621, - -0.016604 - ], - "t": [ - -1, - -2, - -3 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "a1": -10.069069173143562, - "a2": 6.670358952207117, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 3, - 5, - 1, - 1, - 2, - 5, - 1, - 3, - 4, - 5, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3 - ], - "n": [ - 0.376700499, - -0.116630334, - -0.73801498, - -0.2725701, - -0.04979231, - 0.172267029, - 0.0044161891, - -1.53951612, - 1.15606052, - -0.0184504019, - -0.101800599, - -0.403598704, - 0.00213055571, - -0.154741976, - 0.0120950552, - -0.0143106371 - ], - "t": [ - -0.75, - -0.25, - 1.25, - 0.75, - -1, - -0.375, - 1.25, - 2.375, - 3.0, - 2.625, - 1.875, - 4.5, - 5.75, - 5.375, - 2.75, - 14.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "CycloHexane" - }, - "molarweight": 84.15948, - "tc": 553.6, - "rhoc": 3224, - "ideal_gas": [ - { - "a1": 0.9891140602, - "a2": 1.6359660572, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 0.83775, - 16.036, - 24.636, - 7.1715 - ], - "t": [ - 1.396315028901734, - 1.69978323699422, - 3.946893063583815, - 8.11958092485549 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.05483581, - 1.607734, - -2.375928, - -0.5137709, - 0.1858417, - -0.9007515, - -0.5628776, - 0.2903717, - -0.3279141, - -0.03177644 - ], - "t": [ - 1, - 0.37, - 0.79, - 1.075, - 0.37, - 2.4, - 2.5, - 0.5, - 3, - 1.06 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.38, - 4.2, - 1.2, - 0.9, - 1.2, - 2.6, - 5.3, - 4.4, - 4.2, - 25 - ], - "d": [ - 1, - 1, - 3, - 3, - 2, - 2, - 3, - 2, - 3, - 2 - ], - "epsilon": [ - 0.73, - 0.75, - 0.48, - 2.32, - 0.2, - 1.33, - 0.68, - 1.11, - 1.47, - 0.99 - ], - "eta": [ - 0.99, - 1.43, - 0.97, - 1.93, - 0.92, - 1.27, - 0.87, - 0.82, - 1.4, - 3 - ], - "gamma": [ - 0.65, - 0.63, - 1.14, - 0.09, - 0.56, - 0.4, - 1.01, - 0.45, - 0.85, - 0.86 - ], - "n": [ - 0.8668676, - -0.1962725, - -0.1425992, - 0.004197016, - 0.1776584, - -0.04433903, - -0.03861246, - 0.07399692, - 0.02036006, - 0.00272825 - ], - "t": [ - 1.6, - 0.37, - 1.33, - 2.5, - 0.9, - 0.5, - 0.73, - 0.2, - 1.5, - 1.5 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R1243zf" - }, - "molarweight": 96.05113, - "tc": 376.93, - "rhoc": 4300.0, - "ideal_gas": [ - { - "a1": -12.06546081, - "a2": 8.207216743, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.0, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 11.247, - 8.1391 - ], - "t": [ - 2.093226859098506, - 5.826015440532725 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.0383741, - 1.551307798, - -1.918093187, - -0.536888401, - 0.116850286, - -2.004856821, - -1.589616187, - 0.351405821, - -1.110707332, - -0.014517895 - ], - "t": [ - 1.0, - 0.43, - 1.0, - 1.0, - 0.3, - 1.95, - 2.19, - 0.77, - 2.81, - 1.03 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.698, - 2.95, - 0.697, - 2.94, - 0.57 - ], - "d": [ - 1, - 1, - 3, - 2, - 2 - ], - "epsilon": [ - 0.998, - 1.06, - 0.655, - 0.861, - 0.61 - ], - "eta": [ - 1.067, - 1.498, - 1.006, - 1.41, - 0.98 - ], - "gamma": [ - 1.35, - 1.2, - 1.286, - 1.18, - 1.0 - ], - "n": [ - 2.521451755, - 1.410134214, - -0.787246964, - -1.103521137, - -0.692133362 - ], - "t": [ - 1.48, - 1.12, - 1.62, - 1.17, - 1.6 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "n-Dodecane" - }, - "molarweight": 170.33483999999999, - "tc": 658.1, - "rhoc": 1330, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 22.085, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 37.776, - 29.369, - 12.461, - 7.7733 - ], - "t": [ - 1.944993162133414, - 3.645342653092235, - 8.661297675125361, - 21.07430481689713 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": 20.5642482037682, - "a2": -15.5930644722635, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 1.38031, - -2.85352, - 0.288897, - -0.165993, - 0.0923993, - 0.000282772, - 0.956627, - 0.0353076, - -0.445008, - -0.118911, - -0.0366475, - 0.0184223 - ], - "t": [ - 0.32, - 1.23, - 1.5, - 1.4, - 0.07, - 0.8, - 2.16, - 1.1, - 4.1, - 5.6, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "R13I1" - }, - "molarweight": 195.9104, - "tc": 396.44, - "rhoc": 4430.6, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 6.2641 - ], - "t": [ - 1.7505801634547473 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -24.691504134838297, - "a2": 14.217528781905427, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 1.12191, - -3.08087, - 1.11307, - -0.184885, - 0.110971, - 0.000325, - 0.333357, - -0.0288288, - -0.371554, - -0.0997985, - -0.0333205, - 0.0207882 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12.0 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Air" - }, - "molarweight": 28.96546, - "tc": 132.6312, - "rhoc": 10447.7, - "ideal_gas": [ - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "n": [ - 6.057194e-08, - -2.10274769e-05, - -0.000158860716, - -13.841928076, - 17.275266575, - -0.00019536342 - ], - "t": [ - -3, - -2, - -1, - 0, - 1, - 1.5 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "a": 2.490888032, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 0.791309509, - 0.212236768 - ], - "t": [ - 25.36365, - 16.90741 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "c": [ - 0.6666666666666666 - ], - "d": [ - 1 - ], - "n": [ - -0.197938904 - ], - "t": [ - 87.31279 - ], - "type": "IdealGasHelmholtzPlanckEinsteinGeneralized" - }, - { - "a1": 10.3753039487406, - "a2": 3.31112445645577, - "reference": "OTH", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 3, - 4, - 4, - 4, - 6, - 1, - 3, - 5, - 6, - 1, - 3, - 11, - 1, - 3 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.118160747229, - 0.713116392079, - -1.61824192067, - 0.0714140178971, - -0.0865421396646, - 0.134211176704, - 0.0112626704218, - -0.0420533228842, - 0.0349008431982, - 0.000164957183186, - -0.101365037912, - -0.17381369097, - -0.0472103183731, - -0.0122523554253, - -0.146629609713, - -0.0316055879821, - 0.000233594806142, - 0.0148287891978, - -0.00938782884667 - ], - "t": [ - 0, - 0.33, - 1.01, - 0, - 0, - 0.15, - 0, - 0.2, - 0.35, - 1.35, - 1.6, - 0.8, - 0.95, - 1.25, - 3.6, - 6, - 3.25, - 3.5, - 15 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "OrthoDeuterium" - }, - "molarweight": 4.0282, - "tc": 38.34, - "rhoc": 17230, - "ideal_gas": [ - { - "a1": -2.0672670563, - "a2": 2.4234599781, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 1.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 4.04482, - -4.65391, - -4.65342, - 3.46313, - -4.58637, - -4.6503, - -4.65124, - 2.67024, - 15.20455, - 0.87164, - -4.7608, - 4.32447 - ], - "t": [ - 41.49713093375065, - 12.56129368805425, - 12.32133541992697, - 9.447052686489306, - 53.15597287428273, - 12.08137715179969, - 12.81429316640584, - 70.77203964527908, - 16.13458528951487, - 225.4042775169536, - 25.08346374543558, - 6.604068857589984 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 2, - 1, - 1, - 3, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 2, - 2 - ], - "n": [ - 0.006267958, - 10.53609, - -10.14149, - 0.356061, - 0.1824472, - -1.129638, - -0.0549812, - -0.6791329, - 1.347918, - -0.8657582, - 1.719146, - -1.917977, - 0.1233365, - -0.07936891 - ], - "t": [ - 1, - 0.462, - 0.5584, - 0.627, - 1.201, - 0.309, - 1.314, - 1.1166, - 1.25, - 1.25, - 1.395, - 1.627, - 1, - 2.5 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.613, - 0.584, - 0.57, - 1.056, - 1.01, - 1.025, - 1.029 - ], - "d": [ - 1, - 1, - 2, - 3, - 3, - 1, - 3 - ], - "epsilon": [ - 1.46, - 1.7864, - 1.647, - 0.541, - 0.969, - 1.892, - 1.076 - ], - "eta": [ - 0.868, - 0.636, - 0.668, - 0.65, - 0.745, - 0.782, - 0.693 - ], - "gamma": [ - 0.6306, - 0.711, - 0.6446, - 0.8226, - 0.992, - 1.2184, - 1.203 - ], - "n": [ - 1.686617, - -4.240326, - 1.857114, - -0.5903705, - 1.520171, - 2.361373, - -2.297315 - ], - "t": [ - 0.635, - 0.664, - 0.7082, - 2.25, - 1.524, - 0.67, - 0.709 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "Isohexane" - }, - "molarweight": 86.17536, - "tc": 497.7, - "rhoc": 2715.000000000001, - "ideal_gas": [ - { - "a1": 6.9259123919, - "a2": -0.3128629679, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 7.9127, - 16.871, - 19.257, - 14.075 - ], - "t": [ - 0.6530038175607796, - 2.310628892907374, - 4.816154309825196, - 11.84046614426361 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 1.1027, - -2.9699, - 1.0295, - -0.21238, - 0.11897, - 0.00027738, - 0.40103, - -0.034238, - -0.43584, - -0.11693, - -0.019262, - 0.0080783 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "NitrousOxide" - }, - "molarweight": 44.0128, - "tc": 309.52, - "rhoc": 10270, - "ideal_gas": [ - { - "a1": -4.4262736272, - "a2": 4.3120475243, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 2.5, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 2.1769, - 1.6145, - 0.48393 - ], - "t": [ - 2.839881106229, - 7.663478935125356, - 17.598216593435 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 3, - 7, - 1, - 2, - 5, - 1, - 1, - 4, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 2, - 2, - 2, - 3 - ], - "n": [ - 0.88045, - -2.4235, - 0.38237, - 0.068917, - 0.00020367, - 0.13122, - 0.46032, - -0.0036985, - -0.23263, - -0.00042859, - -0.04281, - -0.023038 - ], - "t": [ - 0.25, - 1.25, - 1.5, - 0.25, - 0.875, - 2.375, - 2, - 2.125, - 3.5, - 6.5, - 4.75, - 12.5 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "Fluorine" - }, - "molarweight": 37.99681000000001, - "tc": 144.414, - "rhoc": 15603, - "ideal_gas": [ - { - "n": [ - 3.0717001e-06, - -5.2985762e-05, - -16.372517, - 3.6884682e-05, - 4.3887271 - ], - "t": [ - -4, - -3, - 1, - 2, - 0 - ], - "type": "IdealGasHelmholtzPower" - }, - { - "a": 2.5011231, - "type": "IdealGasHelmholtzLogTau" - }, - { - "c": [ - 1 - ], - "d": [ - -1 - ], - "n": [ - 1.012767 - ], - "t": [ - -8.9057501 - ], - "type": "IdealGasHelmholtzPlanckEinsteinGeneralized" - }, - { - "a1": 0, - "a2": 0, - "type": "IdealGasHelmholtzLead" - }, - { - "a1": -7.97036812567026, - "a2": 19.8946542032696, - "reference": "NBP", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 1, - 2, - 2, - 3, - 3, - 4, - 4, - 5, - 8, - 9 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0 - ], - "n": [ - 1.51144749736, - -2.98666288409, - 3.29644905098, - -2.98458624201, - -2.28688966459, - -1.094921934, - 3.04775277572, - 0.115689564208, - -1.16100171627, - 0.295656394476, - 0.0711482542928, - -0.00171363832155, - 0.000665317955515 - ], - "t": [ - 0, - 0.5, - 1.5, - 2, - 0.5, - 1, - 0.5, - 2, - 0.5, - 1, - 0, - 0.5, - 0 - ], - "type": "ResidualHelmholtzPower" - }, - { - "d": [ - 2, - 2, - 2, - 2, - 3, - 3, - 3, - 4, - 4, - 4, - 5, - 6, - 7, - 8, - 12, - 4, - 6, - 6 - ], - "g": [ - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 1.078102576, - 2.156205153, - 3.234307729, - 3.234307729 - ], - "l": [ - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2, - 2 - ], - "n": [ - 5.06026676251, - -6.2926843544, - 6.17784808739, - -1.55366191788, - -2.87170687343, - 3.17214480494, - -2.67969025215, - 2.71865479252, - -1.07191065039, - 1.26597342291, - -0.706244695489, - 0.268707888826, - 0.0527251190274, - 0.0544411481926, - 0.000228949994105, - -5.479082643040001e-10, - -0.096427322495, - 0.000368084486225 - ], - "t": [ - 1, - 3, - 4, - 5, - 1, - 4, - 5, - 1, - 3, - 5, - 4, - 4, - 1, - 1, - 5, - 30, - 20, - 25 - ], - "type": "ResidualHelmholtzExponential" - } - ] - }, - { - "identifier": { - "name": "n-Nonane" - }, - "molarweight": 128.2551, - "tc": 594.55, - "rhoc": 1810, - "ideal_gas": [ - { - "a1": 10.7927224829, - "a2": -8.2418318753, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 16.349, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 24.926, - 24.842, - 11.188, - 17.483 - ], - "t": [ - 2.053654024051804, - 3.774283071230343, - 8.423177192834919, - 19.71911529728366 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 3, - 7, - 2, - 5, - 1, - 4, - 3, - 4 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 2, - 2, - 3, - 3 - ], - "n": [ - 1.1151, - -2.702, - 0.83416, - -0.38828, - 0.1376, - 0.00028185, - 0.62037, - 0.015847, - -0.61726, - -0.15043, - -0.012982, - 0.0044325 - ], - "t": [ - 0.25, - 1.125, - 1.5, - 1.375, - 0.25, - 0.875, - 0.625, - 1.75, - 3.625, - 3.625, - 14.5, - 12 - ], - "type": "ResidualHelmholtzPower" - } - ] - }, - { - "identifier": { - "name": "SulfurHexafluoride" - }, - "molarweight": 146.05541920000002, - "tc": 318.7232, - "rhoc": 5082.317411198119, - "ideal_gas": [ - { - "a1": 11.638611086, - "a2": -6.392241811, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 3.66118232, - 7.87885103, - 3.45981679 - ], - "t": [ - 1.617282065, - 2.747115139, - 4.232907175 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - }, - { - "a1": -27.047571044927, - "a2": 17.2073865481014, - "reference": "IIR", - "type": "IdealGasHelmholtzEnthalpyEntropyOffset" - } - ], - "residual": [ - { - "d": [ - 1, - 1, - 1, - 2, - 2, - 2, - 3, - 3, - 4, - 6, - 1, - 2, - 2, - 2, - 3, - 6, - 2, - 2, - 4, - 4, - 2, - 2 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 0, - 1, - 1, - 1, - 1, - 1, - 1, - 2, - 2, - 2, - 2, - 3, - 3 - ], - "n": [ - 0.54958259132835, - -0.87905033269396, - -0.84656969731452, - 0.27692381593529, - -4.9864958372345, - 4.8879127058055, - 0.036917081634281, - 0.00037030130305087, - 0.039389132911585, - 0.00042477413690006, - -0.02415001386389, - 0.059447650642255, - -0.38302880142267, - 0.32606800951983, - -0.029955940562031, - -0.086579186671173, - 4.1600684707562, - -4.1398128855814, - -0.55842159922714, - 0.56531382776891, - 0.0082612463415545, - -0.01020099533808 - ], - "t": [ - 0.125, - 1.25, - 1.875, - 0.125, - 1.5, - 1.625, - 1.5, - 5.625, - 0.625, - 0.25, - 6, - 0.25, - 4.75, - 5.375, - 5.875, - 2, - 5.875, - 6, - 5.625, - 5.75, - 0, - 0.5 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 150, - 150, - 150, - 150, - 225, - 300, - 350, - 350, - 350, - 350, - 400, - 400, - 400, - 400 - ], - "d": [ - 1, - 3, - 4, - 1, - 1, - 4, - 3, - 4, - 4, - 4, - 1, - 1, - 3, - 3 - ], - "epsilon": [ - 0.85, - 0.85, - 0.85, - 0.85, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1, - 1 - ], - "eta": [ - 10, - 10, - 10, - 10, - 11, - 25, - 30, - 30, - 30, - 30, - 30, - 30, - 30, - 30 - ], - "gamma": [ - 1.13, - 1.13, - 1.13, - 1.16, - 1.19, - 1.19, - 1.16, - 1.16, - 1.16, - 1.16, - 1.22, - 1.22, - 1.22, - 1.22 - ], - "n": [ - -0.021662523861406, - 0.034650943893908, - -0.028694281385812, - 0.0084007238998053, - -0.26969359922498, - 9.0415215646344, - -3.7233103557977, - -2752.4670823704, - 5771.1861697319, - -3023.4003119748, - 2225277.843536, - -2305606.5559032, - 6391885.2944475, - -6079209.1415592 - ], - "t": [ - 4, - 1, - 3, - 2, - 4, - 3, - 4, - 1, - 2, - 3, - 3, - 4, - 3, - 4 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "R236FA" - }, - "molarweight": 152.0384, - "tc": 398.07, - "rhoc": 3626, - "ideal_gas": [ - { - "a1": -17.5983849, - "a2": 8.87150449, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 9.175, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 9.8782, - 18.236, - 49.934 - ], - "t": [ - 2.416660386364208, - 6.014017635089306, - 13.03288366367724 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.04453255, - 1.777017, - -2.230519, - -0.6708606, - 0.1587907, - -1.425119, - -0.6461628, - 0.8469985, - -0.5635356, - -0.01535611 - ], - "t": [ - 1.07, - 0.222, - 0.66, - 1.33, - 0.227, - 2.33, - 1.94, - 1.53, - 2.65, - 0.722 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 1.42, - 2.31, - 0.89, - 80, - 108 - ], - "d": [ - 1, - 1, - 3, - 3, - 2 - ], - "epsilon": [ - 0.712, - 0.91, - 0.677, - 0.718, - 1.64 - ], - "eta": [ - 1.02, - 1.336, - 1.055, - 5.84, - 16.2 - ], - "gamma": [ - 1.13, - 0.67, - 0.46, - 1.28, - 1.2 - ], - "n": [ - 1.156362, - -0.407031, - -0.2172753, - -1.007176, - -6.902909e-05 - ], - "t": [ - 1.11, - 2.31, - 3.68, - 4.23, - 0.614 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - }, - { - "identifier": { - "name": "EthyleneOxide" - }, - "molarweight": 44.05256, - "tc": 468.92, - "rhoc": 7170, - "ideal_gas": [ - { - "a1": -3.90644775, - "a2": 4.0000956, - "type": "IdealGasHelmholtzLead" - }, - { - "a": 3.0, - "type": "IdealGasHelmholtzLogTau" - }, - { - "n": [ - 6.79, - 4.53, - 3.68 - ], - "t": [ - 2.8363047001620743, - 4.627655037106543, - 9.532542864454491 - ], - "type": "IdealGasHelmholtzPlanckEinstein" - } - ], - "residual": [ - { - "d": [ - 4, - 1, - 1, - 2, - 3, - 1, - 3, - 2, - 2, - 7 - ], - "l": [ - 0, - 0, - 0, - 0, - 0, - 2, - 2, - 1, - 2, - 1 - ], - "n": [ - 0.0300676, - 2.1629, - -2.72041, - -0.53931, - 0.181051, - -2.61292, - -2.08004, - 0.3169968, - -1.6532, - -0.01981719 - ], - "t": [ - 1.0, - 0.41, - 0.79, - 1.06, - 0.58, - 2.0, - 2.2, - 0.73, - 2.4, - 0.97 - ], - "type": "ResidualHelmholtzPower" - }, - { - "beta": [ - 0.62, - 1.11, - 0.62, - 368, - 0.66, - 1.87 - ], - "d": [ - 1, - 1, - 3, - 3, - 2, - 1 - ], - "epsilon": [ - 0.705, - 0.821, - 0.791, - 1.08, - 1.64, - 1.51 - ], - "eta": [ - 1.02, - 1.55, - 1.44, - 14, - 1.63, - 1.9 - ], - "gamma": [ - 0.847, - 0.34, - 0.265, - 1.13, - 0.36, - 1.05 - ], - "n": [ - 3.34387, - -0.950671, - -0.445528, - -0.005409938, - -0.0638824, - -0.093912 - ], - "t": [ - 1.87, - 2.08, - 2.8, - 0.97, - 3.15, - 0.7 - ], - "type": "ResidualHelmholtzGaussian" - } - ] - } -] \ No newline at end of file diff --git a/parameters/pcsaft/README.md b/parameters/pcsaft/README.md deleted file mode 100644 index 254777fc4..000000000 --- a/parameters/pcsaft/README.md +++ /dev/null @@ -1,67 +0,0 @@ -# PC(P)-SAFT Parameters - -This directory contains files with parameters for PC(P)-SAFT (including gc-PC-SAFT). -The files named according to the pattern `NameYear.json` correspond to published parameters. The corresponding publication is provided in the [`literature.bib`](literature.bib) file. - -For most applications, we recommend using the recent parametrization by [Esper et al.](https://doi.org/10.1021/acs.iecr.3c02255) together with binary interaction parameters from [Rehner et al.](https://doi.org/10.1007/s10765-023-03290-3) In Python reading parameters from the two JSON files is done by - -```python -from feos.pcsaft import PcSaftParameters - -params = PcSaftParameters.from_json( - ["acetone", "hexane"], - "esper2023.json", - "rehner2023_binary.json" -) -``` -For some applications (e.g., aqueous systems) more specialized parametrizations are required. See below for a full list of PC(P)-SAFT pure-component parameter sets available in the repository. - -## Individual Parameters - -|file|file binary|description|publication(s)| -|-|-|-|:-:| -[`gross2001.json`](gross2001.json) | | non-associating and non-polar substances| [🔗](https://doi.org/10.1021/ie0003887) -[`gross2002.json`](gross2002.json) | | associating substances | [🔗](https://doi.org/10.1021/ie010954d) -[`gross2005_fit.json`](gross2005_fit.json) | | quadrupolar substances, quadrupole moment adjusted in regression | [🔗](https://doi.org/10.1002/aic.10502) -[`gross2005_literature.json`](gross2005_literature.json) | | quadrupolar substances, quadrupole moment taken from literature | [🔗](https://doi.org/10.1002/aic.10502) -[`gross2006.json`](gross2006.json) | | dipolar substances | [🔗](https://doi.org/10.1002/aic.10683) -[`loetgeringlin2018.json`](loetgeringlin2018.json) | | 146 components including viscosity parameters | [🔗](https://doi.org/10.1021/acs.iecr.7b04871) -[`rehner2020.json`](rehner2020.json) | | water and alcohols with surface tension data included in the regression | [🔗](https://doi.org/10.1021/acs.jced.0c00684) -[`eller2022.json`](eller2022.json) | | hydrogen used in subsurface storage | [🔗](https://doi.org/10.1029/2021WR030885) -[`esper2023.json`](esper2023.json) | [`rehner2023_binary.json`](rehner2023_binary.json) | 1842 non-associating, associating and polar substances | [🔗](https://doi.org/10.1021/acs.iecr.3c02255)[🔗](https://doi.org/10.1007/s10765-023-03290-3) - -## Group-Contribution (GC) Methods -Parameters can also be constructed from group-contribution methods. In Python only and if you have [`rdkit`](https://pypi.org/project/rdkit/) installed in your environment, you can generate parameters directly from a SMILES code: -```Python -PcSaftParameters.from_json_smiles( - ["CCC(C)=O"], - "sauer2014_smarts.json", - "sauer2014_homo.json" -) -``` -or -```Python -PcSaftParameters.from_json_smiles( - [Identifier(name="2-butanone", smiles="CCC(C)=O")], - "sauer2014_smarts.json", - "sauer2014_homo.json" -) -``` -The rules that are applied in the determination of the group counts from SMILES are defined by SMARTS. All GC models that are implemented currently are compatible with the SMARTS defined in [`sauer2014_smarts.json`](sauer2014_smarts.json). - -For a more detailed description of parameter handling in `FeOs`, check out the [example notebook](https://github.com/feos-org/feos/blob/binary_interaction_parameter_files/examples/pcsaft_working_with_parameters.ipynb). - -### Parameters for the homosegmented GC method - -|file|file binary|description|publication(s)| -|-|-|-|:-:| -[`sauer2014_homo.json`](sauer2014_homo.json) | | group parameters for homosegmented PC-SAFT | [🔗](https://doi.org/10.1021/ie502203w) | -[`loetgeringlin2015_homo.json`](loetgeringlin2015_homo.json) | | Sauer et al. plus viscosity parameter | [🔗](https://doi.org/10.1021/acs.iecr.5b01698) -[`rehner2023_homo.json`](rehner2023_homo.json) | [`rehner2023_homo_binary.json`](rehner2023_homo_binary.json) | Sauer et al. plus induced association | [🔗](https://doi.org/10.1007/s10765-023-03290-3) | - -### Parameters for the heterosegmented GC method (gc-PC-SAFT) - -|file|file binary|description|publication(s)| -|-|-|-|:-:| -[`sauer2014_hetero.json`](sauer2014_hetero.json) | | group parameters for gc-PC-SAFT | [🔗](https://doi.org/10.1021/ie502203w) | -[`rehner2023_hetero.json`](rehner2023_hetero.json) | [`rehner2023_hetero_binary.json`](rehner2023_hetero_binary.json) | Sauer et al. plus induced association | [🔗](https://doi.org/10.1007/s10765-023-03290-3) | diff --git a/parameters/pcsaft/eller2022.json b/parameters/pcsaft/eller2022.json deleted file mode 100644 index 901e04151..000000000 --- a/parameters/pcsaft/eller2022.json +++ /dev/null @@ -1,16 +0,0 @@ -[ - { - "identifier": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "molecular hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "molarweight": 2.016, - "m": 1.0, - "sigma": 3.002, - "epsilon_k": 51.343 - } -] \ No newline at end of file diff --git a/parameters/pcsaft/esper2023.json b/parameters/pcsaft/esper2023.json deleted file mode 100644 index 5c974aab2..000000000 --- a/parameters/pcsaft/esper2023.json +++ /dev/null @@ -1,30990 +0,0 @@ -[ - { - "identifier": { - "cas": "111512-60-8", - "name": "(z)-1-chloro-2,3,3,3-tetrafluoropropene", - "iupac_name": "(z)-1-chloro-2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C(=C\\Cl)C(F)(F)F", - "inchi": "InChI=1S/C3HClF4/c4-1-2(5)3(6,7)8/h1H/b2-1-" - }, - "molarweight": 147.97, - "m": 3.57688, - "sigma": 3.2949, - "epsilon_k": 185.33693 - }, - { - "identifier": { - "cas": "2696-92-6", - "name": "nitrosylchloride", - "iupac_name": "nitrosyl chloride", - "smiles": "O=NCl", - "inchi": "InChI=1S/ClNO/c1-2-3" - }, - "molarweight": 64.967, - "m": 2.17312, - "sigma": 3.03043, - "epsilon_k": 228.82851, - "mu": 1.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "583-60-8", - "name": "2-methylcyclohexanone", - "iupac_name": "2-methylcyclohexan-1-one", - "smiles": "CC1CCCCC1=O", - "inchi": "InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3" - }, - "molarweight": 112.089, - "m": 3.18533, - "sigma": 3.75132, - "epsilon_k": 303.61665, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "307-70-0", - "name": "1,1,11-trihydroperfluoro-1-undecanol", - "iupac_name": "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecan-1-ol", - "smiles": "OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F", - "inchi": "InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2" - }, - "molarweight": 531.994, - "m": 6.5728, - "sigma": 3.90905, - "epsilon_k": 226.28682, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3847.71083 - } - ] - }, - { - "identifier": { - "cas": "632-22-4", - "name": "1,1,3,3-tetramethyl urea", - "iupac_name": "1,1,3,3-tetramethylurea", - "smiles": "CN(C)C(=O)N(C)C", - "inchi": "InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3" - }, - "molarweight": 116.095, - "m": 4.08678, - "sigma": 3.43195, - "epsilon_k": 274.05667, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "molarweight": 147.914, - "m": 2.1497, - "sigma": 3.50014, - "epsilon_k": 185.06937 - }, - { - "identifier": { - "cas": "7440-63-3", - "name": "xenon", - "iupac_name": "xenon", - "smiles": "[Xe]", - "inchi": "InChI=1S/Xe" - }, - "molarweight": 131.904, - "m": 1.0, - "sigma": 3.92664, - "epsilon_k": 227.69922 - }, - { - "identifier": { - "cas": "100-53-8", - "name": "benzenemethanethiol ", - "iupac_name": "phenylmethanethiol", - "smiles": "SCc1ccccc1", - "inchi": "InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "molarweight": 124.035, - "m": 3.63644, - "sigma": 3.53107, - "epsilon_k": 223.56689, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.65233, - "epsilon_k_ab": 2046.30878 - } - ] - }, - { - "identifier": { - "cas": "1560-93-6", - "name": "2-methylpentadecane", - "iupac_name": "2-methylpentadecane", - "smiles": "CCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C16H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h16H,4-15H2,1-3H3" - }, - "molarweight": 226.266, - "m": 6.38597, - "sigma": 3.99475, - "epsilon_k": 257.19315 - }, - { - "identifier": { - "cas": "2550-26-7", - "name": "4-phenyl-2-butanone", - "iupac_name": "4-phenylbutan-2-one", - "smiles": "CC(=O)CCc1ccccc1", - "inchi": "InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3" - }, - "molarweight": 148.089, - "m": 4.75545, - "sigma": 3.53464, - "epsilon_k": 283.58379, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "591-68-4", - "name": "butyl valerate", - "iupac_name": "butyl pentanoate", - "smiles": "CCCCOC(=O)CCCC", - "inchi": "InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 158.131, - "m": 4.78442, - "sigma": 3.60838, - "epsilon_k": 251.73502, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "54964-85-1", - "name": "2,6-dimethyl-3-octyldecahydronaphthalene", - "iupac_name": "2,6-dimethyl-3-octyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "CCCCCCCCC1CC2CC(C)CCC2CC1C", - "inchi": "InChI=1S/C20H38/c1-4-5-6-7-8-9-10-18-15-20-13-16(2)11-12-19(20)14-17(18)3/h16-20H,4-15H2,1-3H3" - }, - "molarweight": 278.297, - "m": 6.2911, - "sigma": 4.17871, - "epsilon_k": 291.22064 - }, - { - "identifier": { - "cas": "78-75-1", - "name": "1,2-dibromopropane", - "iupac_name": "1,2-dibromopropane", - "smiles": "CC(Br)CBr", - "inchi": "InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "molarweight": 199.884, - "m": 2.7684, - "sigma": 3.72247, - "epsilon_k": 313.7478, - "mu": 1.39 - }, - { - "identifier": { - "cas": "98-88-4", - "name": "benzoylchloride", - "iupac_name": "benzoyl chloride", - "smiles": "O=C(Cl)c1ccccc1", - "inchi": "InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 140.003, - "m": 3.27367, - "sigma": 3.68617, - "epsilon_k": 315.31815, - "mu": 3.33, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "144-19-4", - "name": "2,2,4-trimethyl-1,3-pentanediol", - "iupac_name": "2,2,4-trimethylpentane-1,3-diol", - "smiles": "CC(C)C(O)C(C)(C)CO", - "inchi": "InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3" - }, - "molarweight": 146.131, - "m": 2.5907, - "sigma": 4.5, - "epsilon_k": 368.92117, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.00042, - "epsilon_k_ab": 2879.82766 - } - ] - }, - { - "identifier": { - "cas": "13389-42-9", - "name": "trans-2-octene", - "iupac_name": "(e)-oct-2-ene", - "smiles": "C/C=C/CCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+" - }, - "molarweight": 112.125, - "m": 3.55856, - "sigma": 3.87157, - "epsilon_k": 252.60601 - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "molarweight": 86.11, - "m": 2.94944, - "sigma": 3.84419, - "epsilon_k": 234.82948 - }, - { - "identifier": { - "cas": "7637-07-2", - "name": "boron trifluoride", - "iupac_name": "trifluoroborane", - "smiles": "FB(F)F", - "inchi": "InChI=1S/BF3/c2-1(3)4" - }, - "molarweight": 68.005, - "m": 4.04623, - "sigma": 2.3242, - "epsilon_k": 108.4612 - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "molarweight": 282.329, - "m": 8.46943, - "sigma": 3.9001, - "epsilon_k": 250.82494 - }, - { - "identifier": { - "cas": "100-63-0", - "name": "phenylhydrazine", - "iupac_name": "phenylhydrazine", - "smiles": "NNc1ccccc1", - "inchi": "InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2" - }, - "molarweight": 108.069, - "m": 4.19131, - "sigma": 3.25211, - "epsilon_k": 280.19172, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 416.68408 - } - ] - }, - { - "identifier": { - "cas": "7719-12-2", - "name": "phosphorous trichloride", - "iupac_name": "trichlorophosphane", - "smiles": "ClP(Cl)Cl", - "inchi": "InChI=1S/Cl3P/c1-4(2)3" - }, - "molarweight": 135.88, - "m": 1.76296, - "sigma": 4.04568, - "epsilon_k": 346.56735, - "mu": 0.78 - }, - { - "identifier": { - "cas": "119-61-9", - "name": "benzophenone", - "iupac_name": "diphenylmethanone", - "smiles": "O=C(c1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 182.073, - "m": 4.58931, - "sigma": 3.72895, - "epsilon_k": 327.52235, - "mu": 2.98, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "molarweight": 93.058, - "m": 2.94495, - "sigma": 3.57681, - "epsilon_k": 302.44626, - "mu": 2.4, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "107-07-3", - "name": "2-chloroethanol", - "iupac_name": "2-chloroethanol", - "smiles": "OCCCl", - "inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2" - }, - "molarweight": 80.003, - "m": 3.90886, - "sigma": 2.84616, - "epsilon_k": 261.42844, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2105.29294 - } - ] - }, - { - "identifier": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "molarweight": 52.012, - "m": 2.45035, - "sigma": 2.80959, - "epsilon_k": 162.36264, - "mu": 1.978 - }, - { - "identifier": { - "cas": "123-02-4", - "name": "1-phenyltridecane", - "iupac_name": "tridecylbenzene", - "smiles": "CCCCCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3" - }, - "molarweight": 260.25, - "m": 7.27148, - "sigma": 3.90939, - "epsilon_k": 269.37727 - }, - { - "identifier": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "molarweight": 90.068, - "m": 3.16848, - "sigma": 3.48257, - "epsilon_k": 278.45358, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.02784, - "epsilon_k_ab": 1965.5371 - } - ] - }, - { - "identifier": { - "cas": "4553-62-2", - "name": "methylglutaronitrile", - "iupac_name": "2-methylpentanedinitrile", - "smiles": "CC(C#N)CCC#N", - "inchi": "InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3" - }, - "molarweight": 108.069, - "m": 3.26133, - "sigma": 3.71165, - "epsilon_k": 380.39966, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "molarweight": 90.068, - "m": 4.58099, - "sigma": 3.04974, - "epsilon_k": 209.35432, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.53446, - "epsilon_k_ab": 836.72417 - } - ] - }, - { - "identifier": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "molarweight": 147.907, - "m": 2.64655, - "sigma": 3.84957, - "epsilon_k": 254.56518, - "mu": 1.91 - }, - { - "identifier": { - "cas": "50-00-0", - "name": "formaldehyde", - "iupac_name": "formaldehyde", - "smiles": "C=O", - "inchi": "InChI=1S/CH2O/c1-2/h1H2" - }, - "molarweight": 30.011, - "m": 2.54645, - "sigma": 2.6376, - "epsilon_k": 168.70429, - "mu": 2.33, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "19269-28-4", - "name": "3-methylhexanal", - "iupac_name": "3-methylhexanal", - "smiles": "CCCC(C)CC=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 114.104, - "m": 3.80538, - "sigma": 3.66713, - "epsilon_k": 258.96667, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "molarweight": 72.094, - "m": 2.5173, - "sigma": 3.84468, - "epsilon_k": 233.33054 - }, - { - "identifier": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "molarweight": 87.068, - "m": 3.27936, - "sigma": 3.30723, - "epsilon_k": 280.61115, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1849.45327 - } - ] - }, - { - "identifier": { - "cas": "25117-27-5", - "name": "4-methylnonadecane", - "iupac_name": "4-methylnonadecane", - "smiles": "CCCCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-20(3)18-5-2/h20H,4-19H2,1-3H3" - }, - "molarweight": 282.329, - "m": 7.44756, - "sigma": 4.073, - "epsilon_k": 261.94961 - }, - { - "identifier": { - "cas": "10034-85-2", - "name": "hydrogen iodide", - "iupac_name": "iodane", - "smiles": "I", - "inchi": "InChI=1S/HI/h1H" - }, - "molarweight": 127.912, - "m": 1.35868, - "sigma": 3.54034, - "epsilon_k": 285.758 - }, - { - "identifier": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "molarweight": 151.941, - "m": 2.93973, - "sigma": 3.49608, - "epsilon_k": 215.55589, - "mu": 1.356 - }, - { - "identifier": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "molarweight": 60.069, - "m": 3.97041, - "sigma": 2.82526, - "epsilon_k": 251.77698, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.00021, - "epsilon_k_ab": 1044.99964 - } - ] - }, - { - "identifier": { - "cas": "6422-86-2", - "name": "bis(2-ethylhexyl) terephthalate", - "iupac_name": "bis(2-ethylhexyl) benzene-1,4-dicarboxylate", - "smiles": "CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1", - "inchi": "InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3" - }, - "molarweight": 390.277, - "m": 10.2806, - "sigma": 3.8071, - "epsilon_k": 260.80458, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "molarweight": 144.115, - "m": 4.84994, - "sigma": 3.57684, - "epsilon_k": 238.80222, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "109-43-3", - "name": "decanedioic acid dibutyl ester", - "iupac_name": "dibutyl decanedioate", - "smiles": "CCCCOC(=O)CCCCCCCCC(=O)OCCCC", - "inchi": "InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3" - }, - "molarweight": 314.246, - "m": 10.04887, - "sigma": 3.58869, - "epsilon_k": 240.12472, - "mu": 2.48, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "123-63-7", - "name": "2,4,6-trimethyl-1,3,5-trioxane", - "iupac_name": "2,4,6-trimethyl-1,3,5-trioxane", - "smiles": "CC1OC(C)OC(C)O1", - "inchi": "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3" - }, - "molarweight": 132.079, - "m": 4.51777, - "sigma": 3.37396, - "epsilon_k": 226.05313, - "mu": 1.43, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "112-24-3", - "name": "triethylenetetramine", - "iupac_name": "n'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine", - "smiles": "NCCNCCNCCN", - "inchi": "InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2" - }, - "molarweight": 146.153, - "m": 2.63932, - "sigma": 4.5, - "epsilon_k": 385.92002, - "association_sites": [ - { - "na": 4.0, - "nb": 4.0, - "kappa_ab": 0.00441, - "epsilon_k_ab": 1443.05933 - } - ] - }, - { - "identifier": { - "cas": "110-59-8", - "name": "pentanenitrile", - "iupac_name": "pentanenitrile", - "smiles": "CCCCC#N", - "inchi": "InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3" - }, - "molarweight": 83.073, - "m": 3.06141, - "sigma": 3.60744, - "epsilon_k": 268.05876, - "mu": 4.12, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "122-79-2", - "name": "acetic acid phenyl ester", - "iupac_name": "phenyl acetate", - "smiles": "CC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3" - }, - "molarweight": 136.052, - "m": 4.26697, - "sigma": 3.45013, - "epsilon_k": 279.33368, - "mu": 1.72, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "4551-51-3", - "name": "cis-octahydro-1h-indene", - "iupac_name": "(3as,7ar)-2,3,3a,4,5,6,7,7a-octahydro-1h-indene", - "smiles": "C1CC[C@H]2CCC[C@H]2C1", - "inchi": "InChI=1/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9+" - }, - "molarweight": 124.125, - "m": 2.9803, - "sigma": 4.02794, - "epsilon_k": 313.00964 - }, - { - "identifier": { - "cas": "513-48-4", - "name": "2-iodobutane", - "iupac_name": "2-iodobutane", - "smiles": "CCC(C)I", - "inchi": "InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "molarweight": 183.975, - "m": 3.07689, - "sigma": 3.69295, - "epsilon_k": 276.16685 - }, - { - "identifier": { - "cas": "1656-48-0", - "name": "3,3'-oxybispropionitrile", - "iupac_name": "3-(2-cyanoethoxy)propanenitrile", - "smiles": "N#CCCOCCC#N", - "inchi": "InChI=1S/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2" - }, - "molarweight": 124.064, - "m": 3.57559, - "sigma": 3.67428, - "epsilon_k": 400.23429, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "628-90-0", - "name": "dimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxy)methane", - "smiles": "COCOCOC", - "inchi": "InChI=1S/C4H10O3/c1-5-3-7-4-6-2/h3-4H2,1-2H3" - }, - "molarweight": 106.063, - "m": 3.40202, - "sigma": 3.48091, - "epsilon_k": 252.9819, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "124-70-9", - "name": "methyl vinyl dichlorosilane", - "iupac_name": "dichloro-ethenyl-methylsilane", - "smiles": "C=C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3" - }, - "molarweight": 139.962, - "m": 2.89579, - "sigma": 3.88105, - "epsilon_k": 260.14092, - "mu": 2.29 - }, - { - "identifier": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "molarweight": 116.084, - "m": 3.83482, - "sigma": 3.55787, - "epsilon_k": 227.38386, - "mu": 1.92, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "624-89-5", - "name": "ethyl methyl sulfide", - "iupac_name": "methylsulfanylethane", - "smiles": "CCSC", - "inchi": "InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3" - }, - "molarweight": 76.035, - "m": 2.5505, - "sigma": 3.58655, - "epsilon_k": 268.23242, - "mu": 1.56, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "555-10-2", - "name": "3-methylene-6-(1-methylethyl)-cyclohexene", - "iupac_name": "3-methylidene-6-propan-2-ylcyclohexene", - "smiles": "C=C1C=CC(C(C)C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3" - }, - "molarweight": 136.125, - "m": 3.61236, - "sigma": 3.94385, - "epsilon_k": 284.33361 - }, - { - "identifier": { - "cas": "611-14-3", - "name": "1-ethyl-2-methylbenzene", - "iupac_name": "1-ethyl-2-methylbenzene", - "smiles": "CCc1ccccc1C", - "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" - }, - "molarweight": 120.094, - "m": 3.25838, - "sigma": 3.86527, - "epsilon_k": 297.33274 - }, - { - "identifier": { - "cas": "97-85-8", - "name": "isobutyl isobutyrate", - "iupac_name": "2-methylpropyl 2-methylpropanoate", - "smiles": "CC(C)COC(=O)C(C)C", - "inchi": "InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3" - }, - "molarweight": 144.115, - "m": 4.53016, - "sigma": 3.66733, - "epsilon_k": 234.94499, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "141-28-6", - "name": "diethyl adipate", - "iupac_name": "diethyl hexanedioate", - "smiles": "CCOC(=O)CCCCC(=O)OCC", - "inchi": "InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3" - }, - "molarweight": 202.121, - "m": 6.73131, - "sigma": 3.45012, - "epsilon_k": 242.32437, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "molarweight": 58.078, - "m": 2.31121, - "sigma": 3.71557, - "epsilon_k": 224.06583 - }, - { - "identifier": { - "cas": "102687-65-0", - "name": "trans-1-chloro-3,3,3-trifluoro-1-propene (r1233zd-e)", - "iupac_name": "(e)-1-chloro-3,3,3-trifluoroprop-1-ene", - "smiles": "FC(F)(F)/C=C/Cl", - "inchi": "InChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "molarweight": 129.98, - "m": 3.02583, - "sigma": 3.42851, - "epsilon_k": 205.95317 - }, - { - "identifier": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "molarweight": 338.391, - "m": 9.99477, - "sigma": 3.91337, - "epsilon_k": 251.29758 - }, - { - "identifier": { - "cas": "7789-21-1", - "name": "fluorosulfonic acid", - "iupac_name": "sulfurofluoridic acid", - "smiles": "O=S(=O)(O)F", - "inchi": "InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)" - }, - "molarweight": 99.963, - "m": 3.88272, - "sigma": 2.74289, - "epsilon_k": 290.42839, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "molarweight": 55.042, - "m": 2.81226, - "sigma": 3.25093, - "epsilon_k": 227.25383, - "mu": 4.02, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1185-33-7", - "name": "2,2-dimethyl-1-butanol", - "iupac_name": "2,2-dimethylbutan-1-ol", - "smiles": "CCC(C)(C)CO", - "inchi": "InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3" - }, - "molarweight": 102.104, - "m": 2.22256, - "sigma": 4.29006, - "epsilon_k": 287.6308, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00622, - "epsilon_k_ab": 2731.2426 - } - ] - }, - { - "identifier": { - "cas": "109-49-9", - "name": "1-hexen-5-one", - "iupac_name": "hex-5-en-2-one", - "smiles": "C=CCCC(C)=O", - "inchi": "InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3" - }, - "molarweight": 98.073, - "m": 3.79292, - "sigma": 3.44147, - "epsilon_k": 253.38943, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "375-85-9", - "name": "perfluoroheptanoic acid", - "iupac_name": "2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid", - "smiles": "O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)" - }, - "molarweight": 363.977, - "m": 4.60229, - "sigma": 3.93777, - "epsilon_k": 214.05144, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00484, - "epsilon_k_ab": 3376.16162 - } - ] - }, - { - "identifier": { - "cas": "625-80-9", - "name": "diisopropylsulfide", - "iupac_name": "2-propan-2-ylsulfanylpropane", - "smiles": "CC(C)SC(C)C", - "inchi": "InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "molarweight": 118.082, - "m": 3.34662, - "sigma": 3.85936, - "epsilon_k": 259.04633, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "7226-23-5", - "name": "n,n'-dimethylpropylene urea ", - "iupac_name": "1,3-dimethyl-1,3-diazinan-2-one", - "smiles": "CN1CCCN(C)C1=O", - "inchi": "InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3" - }, - "molarweight": 128.095, - "m": 2.94142, - "sigma": 3.91027, - "epsilon_k": 382.18464, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "141-97-9", - "name": "ethyl acetoacetate", - "iupac_name": "ethyl 3-oxobutanoate", - "smiles": "CCOC(=O)CC(C)=O", - "inchi": "InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3" - }, - "molarweight": 130.063, - "m": 4.43685, - "sigma": 3.39354, - "epsilon_k": 260.76975, - "mu": 2.92897, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "102155-32-8", - "name": "2,4,6-trimethylheptadecane", - "smiles": "CCCCCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C20H42/c1-6-7-8-9-10-11-12-13-14-15-19(4)17-20(5)16-18(2)3/h18-20H,6-17H2,1-5H3" - }, - "molarweight": 282.329, - "m": 10.51738, - "sigma": 3.58534, - "epsilon_k": 217.93139 - }, - { - "identifier": { - "cas": "98-56-6", - "name": "p-chlorobenzotrifluoride", - "iupac_name": "1-chloro-4-(trifluoromethyl)benzene", - "smiles": "FC(F)(F)c1ccc(Cl)cc1", - "inchi": "InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H" - }, - "molarweight": 179.995, - "m": 3.66254, - "sigma": 3.67718, - "epsilon_k": 260.99311, - "mu": 1.58 - }, - { - "identifier": { - "cas": "922-62-3", - "name": "cis-3-methyl-2-pentene", - "iupac_name": "(z)-3-methylpent-2-ene", - "smiles": "C/C=C(/C)CC", - "inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4-" - }, - "molarweight": 84.094, - "m": 3.0324, - "sigma": 3.70666, - "epsilon_k": 241.14549 - }, - { - "identifier": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "molarweight": 102.068, - "m": 5.82828, - "sigma": 2.92283, - "epsilon_k": 237.14427, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3111.01504 - } - ] - }, - { - "identifier": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "molarweight": 116.084, - "m": 3.35724, - "sigma": 3.67453, - "epsilon_k": 208.73059, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.04729, - "epsilon_k_ab": 2501.08734 - } - ] - }, - { - "identifier": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "molarweight": 113.993, - "m": 3.95471, - "sigma": 2.87338, - "epsilon_k": 157.6198, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 1517.81774 - } - ] - }, - { - "identifier": { - "cas": "565-61-7", - "name": "3-methyl-2-pentanone", - "iupac_name": "3-methylpentan-2-one", - "smiles": "CCC(C)C(C)=O", - "inchi": "InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3" - }, - "molarweight": 100.089, - "m": 3.3527, - "sigma": 3.65503, - "epsilon_k": 261.31187, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "632-15-5", - "name": "3,4-dimethyl thiophene", - "iupac_name": "3,4-dimethylthiophene", - "smiles": "Cc1cscc1C", - "inchi": "InChI=1S/C6H8S/c1-5-3-7-4-6(5)2/h3-4H,1-2H3" - }, - "molarweight": 112.035, - "m": 3.02632, - "sigma": 3.69913, - "epsilon_k": 302.17656, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "molarweight": 118.063, - "m": 1.71365, - "sigma": 4.5, - "epsilon_k": 254.5576, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.02819, - "epsilon_k_ab": 2156.91415 - } - ] - }, - { - "identifier": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "molarweight": 162.004, - "m": 2.67499, - "sigma": 3.9921, - "epsilon_k": 335.82106 - }, - { - "identifier": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "molarweight": 145.969, - "m": 2.84364, - "sigma": 3.81659, - "epsilon_k": 334.19319, - "mu": 2.5 - }, - { - "identifier": { - "cas": "771-61-9", - "name": "2,3,4,5,6-pentafluorophenol", - "iupac_name": "2,3,4,5,6-pentafluorophenol", - "smiles": "Oc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" - }, - "molarweight": 183.995, - "m": 4.62079, - "sigma": 3.15744, - "epsilon_k": 240.40086, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2445.77688 - } - ] - }, - { - "identifier": { - "cas": "540-18-1", - "name": "amyl butyrate", - "iupac_name": "pentyl butanoate", - "smiles": "CCCCCOC(=O)CCC", - "inchi": "InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3" - }, - "molarweight": 158.131, - "m": 4.43868, - "sigma": 3.84028, - "epsilon_k": 257.93654, - "mu": 1.76, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "865-52-1", - "name": "tetramethylgermane", - "iupac_name": "tetramethylgermane", - "smiles": "C[Ge](C)(C)C", - "inchi": "InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3" - }, - "molarweight": 134.015, - "m": 2.55346, - "sigma": 4.07514, - "epsilon_k": 241.61578 - }, - { - "identifier": { - "cas": "464-06-2", - "name": "2,2,3-trimethylbutane", - "iupac_name": "2,2,3-trimethylbutane", - "smiles": "CC(C)C(C)(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3" - }, - "molarweight": 100.125, - "m": 2.72014, - "sigma": 4.10186, - "epsilon_k": 259.51231 - }, - { - "identifier": { - "cas": "623-96-1", - "name": "di-n-propylcarbonate", - "iupac_name": "dipropyl carbonate", - "smiles": "CCCOC(=O)OCCC", - "inchi": "InChI=1S/C7H14O3/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 146.094, - "m": 4.9132, - "sigma": 3.48018, - "epsilon_k": 238.18706, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "124-63-0", - "name": "methanesulfonylchloride", - "iupac_name": "methanesulfonyl chloride", - "smiles": "CS(=O)(=O)Cl", - "inchi": "InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3" - }, - "molarweight": 113.954, - "m": 2.96998, - "sigma": 3.32335, - "epsilon_k": 308.65059, - "mu": 3.15, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "molarweight": 60.021, - "m": 3.17506, - "sigma": 2.92376, - "epsilon_k": 287.87919, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "molarweight": 131.93, - "m": 2.42961, - "sigma": 3.77237, - "epsilon_k": 278.80359, - "mu": 1.78 - }, - { - "identifier": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "molarweight": 76.052, - "m": 3.44528, - "sigma": 3.15264, - "epsilon_k": 230.74612, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.22091, - "epsilon_k_ab": 1151.53518 - } - ] - }, - { - "identifier": { - "cas": "615-98-5", - "name": "dipropyl oxalate", - "iupac_name": "dipropyl oxalate", - "smiles": "CCCOC(=O)C(=O)OCCC", - "inchi": "InChI=1S/C8H14O4/c1-3-5-11-7(9)8(10)12-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 174.089, - "m": 5.75718, - "sigma": 3.43458, - "epsilon_k": 244.98941, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "molarweight": 134.11, - "m": 3.69217, - "sigma": 3.89617, - "epsilon_k": 281.4887 - }, - { - "identifier": { - "cas": "4390-04-9", - "name": "2,2,4,4,6,8,8-heptamethylnonane", - "iupac_name": "2,2,4,4,6,8,8-heptamethylnonane", - "smiles": "CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3" - }, - "molarweight": 226.266, - "m": 5.44878, - "sigma": 4.19257, - "epsilon_k": 255.98331 - }, - { - "identifier": { - "cas": "79-22-1", - "name": "methyl chloroformate", - "iupac_name": "methyl carbonochloridate", - "smiles": "COC(=O)Cl", - "inchi": "InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3" - }, - "molarweight": 93.982, - "m": 2.69619, - "sigma": 3.34083, - "epsilon_k": 260.80841, - "mu": 2.22, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "646-20-8", - "name": "1,5-dicyanopentane", - "iupac_name": "heptanedinitrile", - "smiles": "N#CCCCCCC#N", - "inchi": "InChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H2" - }, - "molarweight": 122.084, - "m": 3.67072, - "sigma": 3.74134, - "epsilon_k": 386.32722, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "101-83-7", - "name": "dicyclohexylamine", - "iupac_name": "n-cyclohexylcyclohexanamine", - "smiles": "C1CCC(NC2CCCCC2)CC1", - "inchi": "InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2" - }, - "molarweight": 181.183, - "m": 4.24675, - "sigma": 4.0479, - "epsilon_k": 305.06556, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "111-68-2", - "name": "heptylamine", - "iupac_name": "heptan-1-amine", - "smiles": "CCCCCCCN", - "inchi": "InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3" - }, - "molarweight": 115.136, - "m": 2.34117, - "sigma": 4.5, - "epsilon_k": 285.93613, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02114, - "epsilon_k_ab": 2365.06838 - } - ] - }, - { - "identifier": { - "cas": "110-18-9", - "name": "n,n,n',n'-tetramethyl ethylenediamine", - "iupac_name": "n,n,n',n'-tetramethylethane-1,2-diamine", - "smiles": "CN(C)CCN(C)C", - "inchi": "InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3" - }, - "molarweight": 116.131, - "m": 3.74063, - "sigma": 3.74899, - "epsilon_k": 243.83498, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "molarweight": 127.962, - "m": 2.95264, - "sigma": 3.75222, - "epsilon_k": 242.40029, - "mu": 1.89 - }, - { - "identifier": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "molarweight": 58.042, - "m": 2.75718, - "sigma": 3.22309, - "epsilon_k": 233.44613, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.04087, - "epsilon_k_ab": 2121.43119 - } - ] - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "molarweight": 32.026, - "m": 2.25965, - "sigma": 2.83016, - "epsilon_k": 183.58634, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.08716, - "epsilon_k_ab": 2465.13545 - } - ] - }, - { - "identifier": { - "cas": "10102-43-9", - "name": "nitrogen oxide", - "iupac_name": "nitric oxide", - "smiles": "[N]=O", - "inchi": "InChI=1S/NO/c1-2" - }, - "molarweight": 29.998, - "m": 4.12115, - "sigma": 1.9, - "epsilon_k": 77.07314, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "503-74-2", - "name": "3-methylbutanoic acid", - "iupac_name": "3-methylbutanoic acid", - "smiles": "CC(C)CC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)" - }, - "molarweight": 102.068, - "m": 3.40514, - "sigma": 3.57451, - "epsilon_k": 269.14134, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03478, - "epsilon_k_ab": 2218.45336 - } - ] - }, - { - "identifier": { - "cas": "10025-67-9", - "name": "sulfur monochloride", - "iupac_name": "chlorosulfanyl thiohypochlorite", - "smiles": "ClSSCl", - "inchi": "InChI=1S/Cl2S2/c1-3-4-2" - }, - "molarweight": 133.882, - "m": 1.41717, - "sigma": 4.33486, - "epsilon_k": 476.16102, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "molarweight": 95.953, - "m": 2.21223, - "sigma": 3.55968, - "epsilon_k": 285.87367, - "mu": 1.9 - }, - { - "identifier": { - "cas": "7731-28-4", - "name": "cis-4-methylcyclohexanol", - "iupac_name": "4-methylcyclohexan-1-ol", - "smiles": "C[C@H]1CC[C@@H](O)CC1", - "inchi": "InChI=1/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7+" - }, - "molarweight": 114.104, - "m": 5.16779, - "sigma": 3.21534, - "epsilon_k": 238.41262, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3553.29359 - } - ] - }, - { - "identifier": { - "cas": "2980-69-0", - "name": "4-methylundecane", - "iupac_name": "4-methylundecane", - "smiles": "CCCCCCCC(C)CCC", - "inchi": "InChI=1S/C12H26/c1-4-6-7-8-9-11-12(3)10-5-2/h12H,4-11H2,1-3H3" - }, - "molarweight": 170.203, - "m": 5.83049, - "sigma": 3.74242, - "epsilon_k": 235.02865 - }, - { - "identifier": { - "cas": "62108-27-4", - "name": "2,4,6-trimethyldecane", - "iupac_name": "2,4,6-trimethyldecane", - "smiles": "CCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C13H28/c1-6-7-8-12(4)10-13(5)9-11(2)3/h11-13H,6-10H2,1-5H3" - }, - "molarweight": 184.219, - "m": 4.89146, - "sigma": 4.0747, - "epsilon_k": 251.58447 - }, - { - "identifier": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "molarweight": 84.019, - "m": 2.47417, - "sigma": 3.28921, - "epsilon_k": 161.9028, - "mu": 2.32 - }, - { - "identifier": { - "cas": "111-85-3", - "name": "1-chlorooctane", - "iupac_name": "1-chlorooctane", - "smiles": "CCCCCCCCCl", - "inchi": "InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3" - }, - "molarweight": 148.102, - "m": 4.33772, - "sigma": 3.76398, - "epsilon_k": 261.5508 - }, - { - "identifier": { - "cas": "89-72-5", - "name": "2-sec-butylphenol", - "iupac_name": "2-butan-2-ylphenol", - "smiles": "CCC(C)c1ccccc1O", - "inchi": "InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3" - }, - "molarweight": 150.104, - "m": 4.64573, - "sigma": 3.59491, - "epsilon_k": 281.24146, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00026, - "epsilon_k_ab": 2646.39987 - } - ] - }, - { - "identifier": { - "cas": "70-29-1", - "name": "diethyl sulfoxide", - "iupac_name": "1-ethylsulfinylethane", - "smiles": "CCS(=O)CC", - "inchi": "InChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3" - }, - "molarweight": 106.045, - "m": 4.08268, - "sigma": 3.30392, - "epsilon_k": 300.24224, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "molarweight": 61.992, - "m": 1.93804, - "sigma": 3.46909, - "epsilon_k": 239.94582, - "mu": 1.45 - }, - { - "identifier": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "molarweight": 26.016, - "m": 2.22087, - "sigma": 2.87502, - "epsilon_k": 166.03384 - }, - { - "identifier": { - "cas": "123-01-3", - "name": "1-phenyldodecane", - "iupac_name": "dodecylbenzene", - "smiles": "CCCCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3" - }, - "molarweight": 246.235, - "m": 6.7889, - "sigma": 3.92015, - "epsilon_k": 271.75011 - }, - { - "identifier": { - "cas": "14850-23-8", - "name": "trans-4-octene", - "iupac_name": "(e)-oct-4-ene", - "smiles": "CCC/C=C/CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+" - }, - "molarweight": 112.125, - "m": 3.91463, - "sigma": 3.74717, - "epsilon_k": 238.27112 - }, - { - "identifier": { - "cas": "107-01-7", - "name": "(cis/trans)-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "CC=CC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3" - }, - "molarweight": 56.063, - "m": 2.15183, - "sigma": 3.71234, - "epsilon_k": 236.85896 - }, - { - "identifier": { - "cas": "6443-92-1", - "name": "cis-2-heptene", - "iupac_name": "(z)-hept-2-ene", - "smiles": "C/C=C\\CCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3-" - }, - "molarweight": 98.11, - "m": 2.85867, - "sigma": 3.99816, - "epsilon_k": 267.15696 - }, - { - "identifier": { - "cas": "110-96-3", - "name": "diisobutylamine", - "iupac_name": "2-methyl-n-(2-methylpropyl)propan-1-amine", - "smiles": "CC(C)CNCC(C)C", - "inchi": "InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3" - }, - "molarweight": 129.152, - "m": 2.47901, - "sigma": 4.5, - "epsilon_k": 200.12754, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.09955, - "epsilon_k_ab": 2578.37722 - } - ] - }, - { - "identifier": { - "cas": "375-22-4", - "name": "heptafluorobutanoic acid", - "iupac_name": "2,2,3,3,4,4,4-heptafluorobutanoic acid", - "smiles": "O=C(O)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)" - }, - "molarweight": 213.986, - "m": 7.06311, - "sigma": 2.81259, - "epsilon_k": 150.3111, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 1646.6201 - } - ] - }, - { - "identifier": { - "cas": "127-00-4", - "name": "1-chloro-2-propanol", - "iupac_name": "1-chloropropan-2-ol", - "smiles": "CC(O)CCl", - "inchi": "InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3" - }, - "molarweight": 94.019, - "m": 1.9525, - "sigma": 3.98147, - "epsilon_k": 361.77237, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0011, - "epsilon_k_ab": 2333.1914 - } - ] - }, - { - "identifier": { - "cas": "5891-21-4", - "name": "5-chloro-2-pentanone", - "iupac_name": "5-chloropentan-2-one", - "smiles": "CC(=O)CCCCl", - "inchi": "InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3" - }, - "molarweight": 120.034, - "m": 2.20639, - "sigma": 4.18919, - "epsilon_k": 389.69357, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "molarweight": 108.016, - "m": 2.82445, - "sigma": 3.83436, - "epsilon_k": 237.09078, - "mu": 2.08 - }, - { - "identifier": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "molarweight": 93.982, - "m": 3.79691, - "sigma": 2.9282, - "epsilon_k": 295.94818, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0189, - "epsilon_k_ab": 1875.45062 - } - ] - }, - { - "identifier": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 96.038, - "m": 2.65595, - "sigma": 3.60968, - "epsilon_k": 276.30649, - "mu": 1.6 - }, - { - "identifier": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "molarweight": 96.094, - "m": 3.61224, - "sigma": 3.61325, - "epsilon_k": 237.62534, - "mu": 0.85 - }, - { - "identifier": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "molarweight": 66.047, - "m": 2.02526, - "sigma": 3.7433, - "epsilon_k": 286.49392 - }, - { - "identifier": { - "cas": "103387-11-7", - "name": "2,4,6-trimethyldodecane", - "smiles": "CCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C15H32/c1-6-7-8-9-10-14(4)12-15(5)11-13(2)3/h13-15H,6-12H2,1-5H3" - }, - "molarweight": 212.25, - "m": 6.65371, - "sigma": 3.82764, - "epsilon_k": 231.54823 - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "molarweight": 60.058, - "m": 3.95902, - "sigma": 2.93004, - "epsilon_k": 198.97045, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03508, - "epsilon_k_ab": 1898.4667 - } - ] - }, - { - "identifier": { - "cas": "7783-54-2", - "name": "nitrogen trifluoride", - "smiles": "FN(F)F", - "inchi": "InChI=1S/F3N/c1-4(2)3" - }, - "molarweight": 70.998, - "m": 1.80616, - "sigma": 3.17207, - "epsilon_k": 138.36014, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 92.063, - "m": 2.78719, - "sigma": 3.72273, - "epsilon_k": 287.51747 - }, - { - "identifier": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "molarweight": 114.104, - "m": 4.23877, - "sigma": 3.53006, - "epsilon_k": 244.01148, - "mu": 2.81, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1560-92-5", - "name": "2-methylhexadecane", - "iupac_name": "2-methylhexadecane", - "smiles": "CCCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C17H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h17H,4-16H2,1-3H3" - }, - "molarweight": 240.282, - "m": 6.9092, - "sigma": 3.96715, - "epsilon_k": 253.9506 - }, - { - "identifier": { - "cas": "597-64-8", - "name": "tetraethylstannane", - "iupac_name": "tetraethylstannane", - "smiles": "[CH2]C.[CH2]C.[CH2]C.[CH2]C.[Sn]", - "inchi": "InChI=1S/4C2H5.Sn/c4*1-2;/h4*1H2,2H3;" - }, - "molarweight": 236.059, - "m": 3.5163, - "sigma": 4.27023, - "epsilon_k": 292.45305 - }, - { - "identifier": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "molarweight": 92.039, - "m": 2.31373, - "sigma": 3.93067, - "epsilon_k": 261.04115, - "mu": 2.13 - }, - { - "identifier": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 108.058, - "m": 3.43219, - "sigma": 3.51952, - "epsilon_k": 286.44042, - "mu": 1.38, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "molarweight": 138.141, - "m": 2.85516, - "sigma": 4.24508, - "epsilon_k": 339.05267 - }, - { - "identifier": { - "cas": "105-34-0", - "name": "cyanoacetic acid methyl ester", - "iupac_name": "methyl 2-cyanoacetate", - "smiles": "COC(=O)CC#N", - "inchi": "InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3" - }, - "molarweight": 99.032, - "m": 5.07928, - "sigma": 2.90431, - "epsilon_k": 255.32394, - "mu": 3.75, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "3386-33-2", - "name": "1-chlorooctadecane", - "iupac_name": "1-chlorooctadecane", - "smiles": "CCCCCCCCCCCCCCCCCCCl", - "inchi": "InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3" - }, - "molarweight": 288.258, - "m": 8.0089, - "sigma": 3.89362, - "epsilon_k": 261.44599 - }, - { - "identifier": { - "cas": "6117-98-2", - "name": "2,3-dimethyldodecane", - "iupac_name": "2,3-dimethyldodecane", - "smiles": "CCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C14H30/c1-5-6-7-8-9-10-11-12-14(4)13(2)3/h13-14H,5-12H2,1-4H3" - }, - "molarweight": 198.235, - "m": 5.30002, - "sigma": 4.06949, - "epsilon_k": 263.54957 - }, - { - "identifier": { - "cas": "25117-31-1", - "name": "5-methyltridecane", - "iupac_name": "5-methyltridecane", - "smiles": "CCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C14H30/c1-4-6-8-9-10-11-13-14(3)12-7-5-2/h14H,4-13H2,1-3H3" - }, - "molarweight": 198.235, - "m": 5.56051, - "sigma": 4.00812, - "epsilon_k": 256.99562 - }, - { - "identifier": { - "cas": "140-29-4", - "name": "benzylcyanide", - "iupac_name": "2-phenylacetonitrile", - "smiles": "N#CCc1ccccc1", - "inchi": "InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2" - }, - "molarweight": 117.058, - "m": 3.36655, - "sigma": 3.66981, - "epsilon_k": 337.56216, - "mu": 3.51, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "353-85-5", - "name": "trifluoroacetonitrile", - "iupac_name": "2,2,2-trifluoroacetonitrile", - "smiles": "N#CC(F)(F)F", - "inchi": "InChI=1S/C2F3N/c3-2(4,5)1-6" - }, - "molarweight": 94.998, - "m": 3.06734, - "sigma": 3.04113, - "epsilon_k": 144.20538, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "645-69-2", - "name": "dipentyl ester butanedioic acid", - "iupac_name": "dipentyl butanedioate", - "smiles": "CCCCCOC(=O)CCC(=O)OCCCCC", - "inchi": "InChI=1S/C14H26O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 258.183, - "m": 7.37042, - "sigma": 3.70934, - "epsilon_k": 256.52535, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "molarweight": 92.039, - "m": 2.82622, - "sigma": 3.64432, - "epsilon_k": 256.90287, - "mu": 2.05 - }, - { - "identifier": { - "cas": "1191-95-3", - "name": "cyclobutanone", - "iupac_name": "cyclobutanone", - "smiles": "O=C1CCC1", - "inchi": "InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2" - }, - "molarweight": 70.042, - "m": 2.59048, - "sigma": 3.40298, - "epsilon_k": 277.32265, - "mu": 2.99, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "131-17-9", - "name": "phthalic acid diallyl ester", - "iupac_name": "bis(prop-2-enyl) benzene-1,2-dicarboxylate", - "smiles": "C=CCOC(=O)c1ccccc1C(=O)OCC=C", - "inchi": "InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2" - }, - "molarweight": 246.089, - "m": 13.65216, - "sigma": 2.78017, - "epsilon_k": 199.55529, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "105-53-3", - "name": "diethyl malonate", - "iupac_name": "diethyl propanedioate", - "smiles": "CCOC(=O)CC(=O)OCC", - "inchi": "InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3" - }, - "molarweight": 160.074, - "m": 5.37219, - "sigma": 3.37677, - "epsilon_k": 246.44507, - "mu": 2.54, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "102886-19-1", - "name": "2,4,6-trimethylnonadecane", - "smiles": "CCCCCCCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C22H46/c1-6-7-8-9-10-11-12-13-14-15-16-17-21(4)19-22(5)18-20(2)3/h20-22H,6-19H2,1-5H3" - }, - "molarweight": 310.36, - "m": 11.37815, - "sigma": 3.60381, - "epsilon_k": 220.06921 - }, - { - "identifier": { - "cas": "493-08-3", - "name": "chroman", - "iupac_name": "3,4-dihydro-2h-chromene", - "smiles": "c1ccc2c(c1)CCCO2", - "inchi": "InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6H,3,5,7H2" - }, - "molarweight": 134.073, - "m": 3.45697, - "sigma": 3.72517, - "epsilon_k": 325.75851, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "molarweight": 30.047, - "m": 1.60689, - "sigma": 3.51681, - "epsilon_k": 191.45389 - }, - { - "identifier": { - "cas": "37112-31-5", - "name": "1,6-anhydro-3,4-dideoxyhex-3-enopyran-2-ulose", - "iupac_name": "(1s,5r)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one", - "smiles": "O=C1C=C[C@H]2CO[C@@H]1O2", - "inchi": "InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1" - }, - "molarweight": 126.032, - "m": 3.81381, - "sigma": 3.31415, - "epsilon_k": 330.34065, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "103-49-1", - "name": "dibenzylamine", - "iupac_name": "n-benzyl-1-phenylmethanamine", - "smiles": "c1ccc(CNCc2ccccc2)cc1", - "inchi": "InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2" - }, - "molarweight": 197.12, - "m": 5.95771, - "sigma": 3.59785, - "epsilon_k": 288.65413, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "108-83-8", - "name": "diisobutyl ketone", - "iupac_name": "2,6-dimethylheptan-4-one", - "smiles": "CC(C)CC(=O)CC(C)C", - "inchi": "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 142.136, - "m": 4.53851, - "sigma": 3.73538, - "epsilon_k": 244.4656, - "mu": 2.66, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 102.104, - "m": 3.45243, - "sigma": 3.70913, - "epsilon_k": 235.33454, - "mu": 1.21, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "756-79-6", - "name": "methyl-phosphonic acid dimethyl ester", - "iupac_name": "[methoxy(methyl)phosphoryl]oxymethane", - "smiles": "COP(C)(=O)OC", - "inchi": "InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3" - }, - "molarweight": 124.029, - "m": 3.8572, - "sigma": 3.37305, - "epsilon_k": 288.31614, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "1502-22-3", - "name": "2-(1-cyclohexen-1-yl)cyclohexanone", - "iupac_name": "2-(cyclohexen-1-yl)cyclohexan-1-one", - "smiles": "O=C1CCCCC1C1=CCCCC1", - "inchi": "InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2" - }, - "molarweight": 178.136, - "m": 4.48717, - "sigma": 3.8421, - "epsilon_k": 312.82975, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2106-49-2", - "name": "3-chloro-2-fluoro-1-nitrobenzene", - "iupac_name": "1-chloro-2-fluoro-3-nitrobenzene", - "smiles": "O=[N+]([O-])c1cccc(Cl)c1F", - "inchi": "InChI=1S/C6H3ClFNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H" - }, - "molarweight": 174.984, - "m": 4.93769, - "sigma": 3.2272, - "epsilon_k": 288.90613, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "611-15-4", - "name": "1-methyl-2-vinylbenzene", - "iupac_name": "1-ethenyl-2-methylbenzene", - "smiles": "C=Cc1ccccc1C", - "inchi": "InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3" - }, - "molarweight": 118.078, - "m": 3.57059, - "sigma": 3.68275, - "epsilon_k": 287.4741 - }, - { - "identifier": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "molarweight": 88.089, - "m": 2.94782, - "sigma": 3.70393, - "epsilon_k": 233.07331, - "mu": 1.36, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "541-05-9", - "name": "hexamethylcyclotrisiloxane", - "iupac_name": "2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3" - }, - "molarweight": 222.056, - "m": 4.60025, - "sigma": 4.02943, - "epsilon_k": 219.40006, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "75-43-4", - "name": "dichlorofluoromethane [r21]", - "iupac_name": "dichloro(fluoro)methane", - "smiles": "FC(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H" - }, - "molarweight": 101.944, - "m": 2.37331, - "sigma": 3.35982, - "epsilon_k": 233.61053, - "mu": 1.3 - }, - { - "identifier": { - "cas": "262-20-4", - "name": "phenoxathiin", - "iupac_name": "phenoxathiine", - "smiles": "c1ccc2c(c1)Oc1ccccc1S2", - "inchi": "InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H" - }, - "molarweight": 200.03, - "m": 3.75443, - "sigma": 3.97879, - "epsilon_k": 382.06258, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "693-65-2", - "name": "dipentyl ether", - "iupac_name": "1-pentoxypentane", - "smiles": "CCCCCOCCCCC", - "inchi": "InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 158.167, - "m": 4.69107, - "sigma": 3.89373, - "epsilon_k": 249.64612, - "mu": 1.2, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "molarweight": 86.073, - "m": 3.30248, - "sigma": 3.48706, - "epsilon_k": 248.98034, - "mu": 2.7, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "94-60-0", - "name": "dimethyl-1,4-cyclohexanedicarboxylate", - "iupac_name": "dimethyl cyclohexane-1,4-dicarboxylate", - "smiles": "COC(=O)C1CCC(C(=O)OC)CC1", - "inchi": "InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 200.105, - "m": 3.21305, - "sigma": 4.34672, - "epsilon_k": 375.90064, - "mu": 2.09, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "124-07-2", - "name": "caprylic acid", - "iupac_name": "octanoic acid", - "smiles": "CCCCCCCC(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" - }, - "molarweight": 144.115, - "m": 4.52532, - "sigma": 3.69205, - "epsilon_k": 270.90527, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01011, - "epsilon_k_ab": 2924.31072 - } - ] - }, - { - "identifier": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "molarweight": 112.125, - "m": 2.93798, - "sigma": 3.97827, - "epsilon_k": 303.94822 - }, - { - "identifier": { - "cas": "334-48-5", - "name": "capric acid", - "iupac_name": "decanoic acid", - "smiles": "CCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" - }, - "molarweight": 172.146, - "m": 3.1246, - "sigma": 4.5, - "epsilon_k": 318.86772, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00217, - "epsilon_k_ab": 4227.84719 - } - ] - }, - { - "identifier": { - "cas": "1732-08-7", - "name": "dimethyl ester heptanedioic acid", - "iupac_name": "dimethyl heptanedioate", - "smiles": "COC(=O)CCCCCC(=O)OC", - "inchi": "InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3" - }, - "molarweight": 188.105, - "m": 7.283, - "sigma": 3.22232, - "epsilon_k": 226.76325, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "molarweight": 192.136, - "m": 6.31493, - "sigma": 3.40902, - "epsilon_k": 158.55115, - "association_sites": [ - { - "na": 2.0, - "nb": 4.0, - "kappa_ab": 0.32271, - "epsilon_k_ab": 1827.19417 - } - ] - }, - { - "identifier": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "molarweight": 93.058, - "m": 3.03569, - "sigma": 3.53859, - "epsilon_k": 287.94192, - "mu": 2.04, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "117-84-0", - "name": "phthalic acid dioctyl ester", - "iupac_name": "dioctyl benzene-1,2-dicarboxylate", - "smiles": "CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC", - "inchi": "InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3" - }, - "molarweight": 390.277, - "m": 11.75906, - "sigma": 3.60576, - "epsilon_k": 242.47041, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "10025-91-9", - "name": "antimony trichloride", - "iupac_name": "trichlorostibane", - "smiles": "[Cl-].[Cl-].[Cl-].[Sb+3]", - "inchi": "InChI=1S/3ClH.Sb/h3*1H;/q;;;+3/p-3" - }, - "molarweight": 225.81, - "m": 2.65735, - "sigma": 3.54994, - "epsilon_k": 368.35714, - "mu": 3.93 - }, - { - "identifier": { - "cas": "111-40-0", - "name": "diethylenetriamine", - "iupac_name": "n'-(2-aminoethyl)ethane-1,2-diamine", - "smiles": "NCCNCCN", - "inchi": "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" - }, - "molarweight": 103.111, - "m": 3.74055, - "sigma": 3.48881, - "epsilon_k": 295.03128, - "association_sites": [ - { - "na": 3.0, - "nb": 3.0, - "kappa_ab": 0.02545, - "epsilon_k_ab": 767.85184 - } - ] - }, - { - "identifier": { - "cas": "4536-23-6", - "name": "2-methylhexanoic acid", - "iupac_name": "2-methylhexanoic acid", - "smiles": "CCCCC(C)C(=O)O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)" - }, - "molarweight": 130.099, - "m": 5.73449, - "sigma": 2.85689, - "epsilon_k": 96.27318, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.53373, - "epsilon_k_ab": 4687.23659 - } - ] - }, - { - "identifier": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "molarweight": 89.048, - "m": 3.02853, - "sigma": 3.43362, - "epsilon_k": 269.74726, - "mu": 3.66, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "589-43-5", - "name": "2,4-dimethylhexane", - "iupac_name": "2,4-dimethylhexane", - "smiles": "CCC(C)CC(C)C", - "inchi": "InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 114.141, - "m": 3.45038, - "sigma": 3.95994, - "epsilon_k": 244.70926 - }, - { - "identifier": { - "cas": "5617-41-4", - "name": "heptylcyclohexane", - "iupac_name": "heptylcyclohexane", - "smiles": "CCCCCCCC1CCCCC1", - "inchi": "InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3" - }, - "molarweight": 182.203, - "m": 4.95524, - "sigma": 3.986, - "epsilon_k": 273.21075 - }, - { - "identifier": { - "cas": "121-45-9", - "name": "trimethylphosphite", - "iupac_name": "trimethyl phosphite", - "smiles": "COP(OC)OC", - "inchi": "InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3" - }, - "molarweight": 124.029, - "m": 3.49527, - "sigma": 3.54552, - "epsilon_k": 251.31834, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "2868-37-3", - "name": "methyl ester cyclopropanecarboxylic acid", - "iupac_name": "methyl cyclopropanecarboxylate", - "smiles": "COC(=O)C1CC1", - "inchi": "InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3" - }, - "molarweight": 100.052, - "m": 3.57214, - "sigma": 3.34202, - "epsilon_k": 256.0509, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "7803-62-5", - "name": "silane", - "iupac_name": "silane", - "smiles": "[SiH4]", - "inchi": "InChI=1S/H4Si/h1H4" - }, - "molarweight": 32.008, - "m": 1.344, - "sigma": 3.73738, - "epsilon_k": 183.37799 - }, - { - "identifier": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "molarweight": 98.0, - "m": 3.00335, - "sigma": 3.27402, - "epsilon_k": 320.56081, - "mu": 4.0, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "molarweight": 120.094, - "m": 3.38569, - "sigma": 3.83005, - "epsilon_k": 293.80602 - }, - { - "identifier": { - "cas": "2690-08-6", - "name": "di-n-octyl thioether", - "iupac_name": "1-octylsulfanyloctane", - "smiles": "CCCCCCCCSCCCCCCCC", - "inchi": "InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "molarweight": 258.238, - "m": 5.87615, - "sigma": 4.20886, - "epsilon_k": 291.2055, - "mu": 1.55, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "molarweight": 102.068, - "m": 3.85433, - "sigma": 3.38973, - "epsilon_k": 229.59887, - "mu": 1.9, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2847-72-5", - "name": "4-methyldecane", - "iupac_name": "4-methyldecane", - "smiles": "CCCCCCC(C)CCC", - "inchi": "InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3" - }, - "molarweight": 156.188, - "m": 4.70706, - "sigma": 3.92595, - "epsilon_k": 249.4918 - }, - { - "identifier": { - "cas": "4151-69-3", - "name": "2,2-dimethyl-3,4-dithiahexane", - "iupac_name": "2-(ethyldisulfanyl)-2-methylpropane", - "smiles": "CCSSC(C)(C)C", - "inchi": "InChI=1S/C6H14S2/c1-5-7-8-6(2,3)4/h5H2,1-4H3" - }, - "molarweight": 150.054, - "m": 3.74374, - "sigma": 3.87157, - "epsilon_k": 278.55735, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "molarweight": 198.235, - "m": 6.01753, - "sigma": 3.82609, - "epsilon_k": 252.65629 - }, - { - "identifier": { - "cas": "3681-78-5", - "name": "dodecanoic acid, propyl ester", - "iupac_name": "propyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCCC", - "inchi": "InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h3-14H2,1-2H3" - }, - "molarweight": 242.225, - "m": 6.39639, - "sigma": 3.95331, - "epsilon_k": 266.42306, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "60-24-2", - "name": "2-mercapto ethanol", - "iupac_name": "2-sulfanylethanol", - "smiles": "OCCS", - "inchi": "InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2" - }, - "molarweight": 78.014, - "m": 1.21331, - "sigma": 4.5, - "epsilon_k": 531.31282, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2430.15659 - } - ] - }, - { - "identifier": { - "cas": "1455-13-6", - "name": "o-deuteromethanol", - "iupac_name": "deuteriooxymethane", - "smiles": "[2H]OC", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" - }, - "molarweight": 32.026, - "m": 2.85208, - "sigma": 2.60052, - "epsilon_k": 184.3475, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.14673, - "epsilon_k_ab": 2138.1465 - } - ] - }, - { - "identifier": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "molarweight": 82.078, - "m": 3.19065, - "sigma": 3.57921, - "epsilon_k": 236.30656, - "mu": 0.83 - }, - { - "identifier": { - "cas": "13195-76-1", - "name": "boric acid, triisobutyl ester", - "iupac_name": "tris(2-methylpropyl) borate", - "smiles": "CC(C)COB(OCC(C)C)OCC(C)C", - "inchi": "InChI=1S/C12H27BO3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3" - }, - "molarweight": 230.205, - "m": 5.8444, - "sigma": 3.97656, - "epsilon_k": 232.52772, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "109-92-2", - "name": "ethyl vinyl ether", - "iupac_name": "ethenoxyethane", - "smiles": "C=COCC", - "inchi": "InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3" - }, - "molarweight": 72.058, - "m": 2.73707, - "sigma": 3.51065, - "epsilon_k": 232.75307, - "mu": 0.98, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "109-55-7", - "name": "3-n,n-dimethylaminopropylamine", - "iupac_name": "n',n'-dimethylpropane-1,3-diamine", - "smiles": "CN(C)CCCN", - "inchi": "InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3" - }, - "molarweight": 102.116, - "m": 1.99434, - "sigma": 4.5, - "epsilon_k": 335.75613, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00722, - "epsilon_k_ab": 1662.47489 - } - ] - }, - { - "identifier": { - "cas": "627-30-5", - "name": "3-chloro-1-propanol", - "iupac_name": "3-chloropropan-1-ol", - "smiles": "OCCCCl", - "inchi": "InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2" - }, - "molarweight": 94.019, - "m": 1.84362, - "sigma": 4.07204, - "epsilon_k": 417.56519, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3248.51627 - } - ] - }, - { - "identifier": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "molarweight": 116.084, - "m": 4.04851, - "sigma": 3.49676, - "epsilon_k": 233.32721, - "mu": 1.9, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "628-05-7", - "name": "1-nitropentane", - "iupac_name": "1-nitropentane", - "smiles": "CCCCC[N+](=O)[O-]", - "inchi": "InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3" - }, - "molarweight": 117.079, - "m": 3.73868, - "sigma": 3.56612, - "epsilon_k": 284.29554, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "111-69-3", - "name": "1,4-dicyanobutane", - "iupac_name": "hexanedinitrile", - "smiles": "N#CCCCCC#N", - "inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2" - }, - "molarweight": 108.069, - "m": 3.37751, - "sigma": 3.67695, - "epsilon_k": 384.95254, - "mu": 3.75, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "74-96-4", - "name": "ethyl bromide", - "iupac_name": "bromoethane", - "smiles": "CCBr", - "inchi": "InChI=1S/C2H5Br/c1-2-3/h2H2,1H3" - }, - "molarweight": 107.957, - "m": 2.16801, - "sigma": 3.52926, - "epsilon_k": 266.03019, - "mu": 2.03 - }, - { - "identifier": { - "cas": "101-84-8", - "name": "diphenyl ether", - "iupac_name": "phenoxybenzene", - "smiles": "c1ccc(Oc2ccccc2)cc1", - "inchi": "InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 170.073, - "m": 4.07429, - "sigma": 3.80837, - "epsilon_k": 320.66953, - "mu": 1.1, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "molarweight": 112.125, - "m": 3.01815, - "sigma": 4.01325, - "epsilon_k": 282.88454 - }, - { - "identifier": { - "cas": "124-13-0", - "name": "octanal", - "iupac_name": "octanal", - "smiles": "CCCCCCCC=O", - "inchi": "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3" - }, - "molarweight": 128.12, - "m": 4.85974, - "sigma": 3.50489, - "epsilon_k": 242.67706, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "111-83-1", - "name": "1-bromooctane", - "iupac_name": "1-bromooctane", - "smiles": "CCCCCCCCBr", - "inchi": "InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3" - }, - "molarweight": 192.051, - "m": 4.61552, - "sigma": 3.71917, - "epsilon_k": 263.54047 - }, - { - "identifier": { - "cas": "2882-96-4", - "name": "3-methylpentadecane", - "iupac_name": "3-methylpentadecane", - "smiles": "CCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2/h16H,4-15H2,1-3H3" - }, - "molarweight": 226.266, - "m": 6.28891, - "sigma": 4.01586, - "epsilon_k": 259.59388 - }, - { - "identifier": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "molarweight": 282.256, - "m": 12.31107, - "sigma": 3.29467, - "epsilon_k": 227.04936, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3285.41235 - } - ] - }, - { - "identifier": { - "cas": "1639-09-4", - "name": "1-heptanethiol", - "iupac_name": "heptane-1-thiol", - "smiles": "CCCCCCCS", - "inchi": "InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "molarweight": 132.097, - "m": 2.47315, - "sigma": 4.5, - "epsilon_k": 309.40705, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.07962, - "epsilon_k_ab": 1609.12075 - } - ] - }, - { - "identifier": { - "cas": "4253-91-2", - "name": "dipropylsulfoxide", - "iupac_name": "1-propylsulfinylpropane", - "smiles": "CCCS(=O)CCC", - "inchi": "InChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 134.077, - "m": 3.93054, - "sigma": 3.69634, - "epsilon_k": 314.805, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "molarweight": 59.037, - "m": 3.99182, - "sigma": 2.69434, - "epsilon_k": 199.96711, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 2611.99891 - } - ] - }, - { - "identifier": { - "cas": "16747-50-5", - "name": "1-methyl-1-ethylcyclopentane", - "iupac_name": "1-ethyl-1-methylcyclopentane", - "smiles": "CCC1(C)CCCC1", - "inchi": "InChI=1S/C8H16/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3" - }, - "molarweight": 112.125, - "m": 2.96806, - "sigma": 4.0176, - "epsilon_k": 277.98748 - }, - { - "identifier": { - "cas": "616-39-7", - "name": "methyl diethyl amine", - "iupac_name": "n-ethyl-n-methylethanamine", - "smiles": "CCN(C)CC", - "inchi": "InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3" - }, - "molarweight": 87.105, - "m": 2.97431, - "sigma": 3.74285, - "epsilon_k": 239.8109, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "smiles": "Oc1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "molarweight": 144.058, - "m": 2.98372, - "sigma": 3.9732, - "epsilon_k": 368.17562, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02699, - "epsilon_k_ab": 2629.51966 - } - ] - }, - { - "identifier": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "molarweight": 88.052, - "m": 4.70085, - "sigma": 2.98499, - "epsilon_k": 212.88224, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.30395, - "epsilon_k_ab": 1819.92307 - } - ] - }, - { - "identifier": { - "cas": "26186-02-7", - "name": "1-tridecyne", - "iupac_name": "tridec-1-yne", - "smiles": "C#CCCCCCCCCCCC", - "inchi": "InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3" - }, - "molarweight": 180.188, - "m": 5.25167, - "sigma": 3.92218, - "epsilon_k": 260.47712 - }, - { - "identifier": { - "cas": "14073-97-3", - "name": "(-)-menthone", - "iupac_name": "(2s,5r)-5-methyl-2-propan-2-ylcyclohexan-1-one", - "smiles": "CC(C)[C@@H]1CC[C@@H](C)CC1=O", - "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1" - }, - "molarweight": 154.136, - "m": 3.96459, - "sigma": 3.9266, - "epsilon_k": 289.85394, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "868-30-4", - "name": "diethylaminoborondichloride", - "iupac_name": "n-dichloroboranyl-n-ethylethanamine", - "smiles": "CCN(CC)B(Cl)Cl", - "inchi": "InChI=1S/C4H10BCl2N/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3" - }, - "molarweight": 153.028, - "m": 3.02409, - "sigma": 4.03411, - "epsilon_k": 293.66741, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "molarweight": 98.073, - "m": 3.43643, - "sigma": 3.55419, - "epsilon_k": 258.36419, - "mu": 3.21, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "619-99-8", - "name": "3-ethylhexane", - "iupac_name": "3-ethylhexane", - "smiles": "CCCC(CC)CC", - "inchi": "InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3" - }, - "molarweight": 114.141, - "m": 3.53517, - "sigma": 3.90208, - "epsilon_k": 248.39319 - }, - { - "identifier": { - "cas": "7722-84-1", - "name": "hydrogen peroxide", - "iupac_name": "hydrogen peroxide", - "smiles": "OO", - "inchi": "InChI=1S/H2O2/c1-2/h1-2H" - }, - "molarweight": 34.005, - "m": 3.12821, - "sigma": 2.17312, - "epsilon_k": 159.79095, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.34561, - "epsilon_k_ab": 1852.17704 - } - ] - }, - { - "identifier": { - "cas": "97-63-2", - "name": "ethyl methacrylate", - "iupac_name": "ethyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCC", - "inchi": "InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3" - }, - "molarweight": 114.068, - "m": 2.8576, - "sigma": 3.89269, - "epsilon_k": 283.49464, - "mu": 2.15, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "molarweight": 154.136, - "m": 4.75444, - "sigma": 3.74842, - "epsilon_k": 253.73226, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00615, - "epsilon_k_ab": 1928.38283 - } - ] - }, - { - "identifier": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "molarweight": 118.078, - "m": 3.6247, - "sigma": 3.66263, - "epsilon_k": 281.62778 - }, - { - "identifier": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "molarweight": 76.035, - "m": 2.29461, - "sigma": 3.74583, - "epsilon_k": 282.53913, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03038, - "epsilon_k_ab": 644.97504 - } - ] - }, - { - "identifier": { - "cas": "7697-37-2", - "name": "nitric acid", - "iupac_name": "nitric acid", - "smiles": "O=[N+]([O-])O", - "inchi": "InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)" - }, - "molarweight": 62.996, - "m": 2.1758, - "sigma": 2.98625, - "epsilon_k": 334.02803, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1932.6196 - } - ] - }, - { - "identifier": { - "cas": "603-35-0", - "name": "triphenylphosphine", - "iupac_name": "triphenylphosphane", - "smiles": "c1ccc(P(c2ccccc2)c2ccccc2)cc1", - "inchi": "InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" - }, - "molarweight": 262.091, - "m": 4.01103, - "sigma": 4.44563, - "epsilon_k": 398.11092, - "mu": 1.39 - }, - { - "identifier": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "molarweight": 97.969, - "m": 2.60845, - "sigma": 3.42068, - "epsilon_k": 280.76296, - "mu": 1.8 - }, - { - "identifier": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "molarweight": 72.058, - "m": 2.82623, - "sigma": 3.40913, - "epsilon_k": 248.43336, - "mu": 2.01, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2050-92-2", - "name": "dipentylamine", - "iupac_name": "n-pentylpentan-1-amine", - "smiles": "CCCCCNCCCCC", - "inchi": "InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3" - }, - "molarweight": 157.183, - "m": 2.56902, - "sigma": 4.5, - "epsilon_k": 144.03655, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.05686, - "epsilon_k_ab": 4342.09561 - } - ] - }, - { - "identifier": { - "cas": "1962-75-0", - "name": "terephthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,4-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "molarweight": 278.152, - "m": 7.70104, - "sigma": 3.65909, - "epsilon_k": 270.08074, - "mu": 2.53, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "molarweight": 67.042, - "m": 3.16806, - "sigma": 3.1028, - "epsilon_k": 290.63755, - "mu": 1.84 - }, - { - "identifier": { - "cas": "1115-99-7", - "name": "triethylgallium", - "iupac_name": "triethylgallane", - "smiles": "[CH2]C.[CH2]C.[CH2]C.[Ga]", - "inchi": "InChI=1S/3C2H5.Ga/c3*1-2;/h3*1H2,2H3;" - }, - "molarweight": 156.043, - "m": 3.72266, - "sigma": 3.75578, - "epsilon_k": 261.81455 - }, - { - "identifier": { - "cas": "75-38-7", - "name": "1,1-difluoroethene", - "iupac_name": "1,1-difluoroethene", - "smiles": "C=C(F)F", - "inchi": "InChI=1S/C2H2F2/c1-2(3)4/h1H2" - }, - "molarweight": 64.012, - "m": 2.0273, - "sigma": 3.28538, - "epsilon_k": 164.01206, - "mu": 1.38 - }, - { - "identifier": { - "cas": "19329-89-6", - "name": "isoamyl lactate", - "iupac_name": "3-methylbutyl 2-hydroxypropanoate", - "smiles": "CC(C)CCOC(=O)C(C)O", - "inchi": "InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3" - }, - "molarweight": 160.11, - "m": 2.84264, - "sigma": 4.38338, - "epsilon_k": 332.43574, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.01101, - "epsilon_k_ab": 1163.29163 - } - ] - }, - { - "identifier": { - "cas": "359-11-5", - "name": "trifluoroethene (r1123)", - "iupac_name": "1,1,2-trifluoroethene", - "smiles": "FC=C(F)F", - "inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H" - }, - "molarweight": 82.003, - "m": 4.32882, - "sigma": 2.50921, - "epsilon_k": 130.0238, - "mu": 1.4 - }, - { - "identifier": { - "cas": "13509-27-8", - "name": "methyl phenyl carbonate", - "iupac_name": "methyl phenyl carbonate", - "smiles": "COC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 152.047, - "m": 3.91714, - "sigma": 3.62479, - "epsilon_k": 302.94046, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "638-45-9", - "name": "1-iodohexane", - "iupac_name": "1-iodohexane", - "smiles": "CCCCCCI", - "inchi": "InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "molarweight": 212.006, - "m": 3.60779, - "sigma": 3.83679, - "epsilon_k": 288.14921, - "mu": 1.94 - }, - { - "identifier": { - "cas": "495-40-9", - "name": "propyl phenyl ketone", - "iupac_name": "1-phenylbutan-1-one", - "smiles": "CCCC(=O)c1ccccc1", - "inchi": "InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "molarweight": 148.089, - "m": 5.58327, - "sigma": 3.3315, - "epsilon_k": 259.03428, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "122-60-1", - "name": "2-phenoxymethyloxirane", - "iupac_name": "2-(phenoxymethyl)oxirane", - "smiles": "c1ccc(OCC2CO2)cc1", - "inchi": "InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2" - }, - "molarweight": 150.068, - "m": 5.54909, - "sigma": 3.24766, - "epsilon_k": 270.07146, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "375-96-2", - "name": "perfluorononane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-icosafluorononane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C9F20/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29" - }, - "molarweight": 487.968, - "m": 6.50662, - "sigma": 3.72925, - "epsilon_k": 180.65081 - }, - { - "identifier": { - "cas": "1187-58-2", - "name": "n-methyl propanamide", - "iupac_name": "n-methylpropanamide", - "smiles": "CCC(O)=NC", - "inchi": "InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)" - }, - "molarweight": 87.068, - "m": 1.57302, - "sigma": 4.46282, - "epsilon_k": 550.0, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "7642-10-6", - "name": "cis-3-heptene", - "iupac_name": "(z)-hept-3-ene", - "smiles": "CC/C=C\\CCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-" - }, - "molarweight": 98.11, - "m": 3.34582, - "sigma": 3.7832, - "epsilon_k": 243.01149 - }, - { - "identifier": { - "cas": "103-73-1", - "name": "ethoxybenzene", - "iupac_name": "ethoxybenzene", - "smiles": "CCOc1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "molarweight": 122.073, - "m": 3.82096, - "sigma": 3.57923, - "epsilon_k": 277.62899, - "mu": 1.40003, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "112-41-4", - "name": "1-dodecene", - "iupac_name": "dodec-1-ene", - "smiles": "C=CCCCCCCCCCC", - "inchi": "InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3" - }, - "molarweight": 168.188, - "m": 5.4321, - "sigma": 3.81379, - "epsilon_k": 245.17208 - }, - { - "identifier": { - "cas": "66205-02-5", - "name": "7-butyl-1-hexyl-1,2,3,4-tetrahydronaphthalene", - "iupac_name": "7-butyl-1-hexyl-1,2,3,4-tetrahydronaphthalene", - "smiles": "CCCCCCC1CCCc2ccc(CCCC)cc21", - "inchi": "InChI=1S/C20H32/c1-3-5-7-8-11-18-12-9-13-19-15-14-17(10-6-4-2)16-20(18)19/h14-16,18H,3-13H2,1-2H3" - }, - "molarweight": 272.25, - "m": 6.85127, - "sigma": 3.97592, - "epsilon_k": 281.09717 - }, - { - "identifier": { - "cas": "7439-90-9", - "name": "krypton", - "iupac_name": "krypton", - "smiles": "[Kr]", - "inchi": "InChI=1S/Kr" - }, - "molarweight": 83.912, - "m": 1.0, - "sigma": 3.60769, - "epsilon_k": 164.02057 - }, - { - "identifier": { - "cas": "428-92-2", - "name": "2-chloro-1,1,2-trifluoroethylchloromethyl ether", - "iupac_name": "2-chloro-1-(chloromethoxy)-1,1,2-trifluoroethane", - "smiles": "FC(Cl)C(F)(F)OCCl", - "inchi": "InChI=1S/C3H3Cl2F3O/c4-1-9-3(7,8)2(5)6/h2H,1H2" - }, - "molarweight": 181.951, - "m": 4.26827, - "sigma": 3.31308, - "epsilon_k": 227.29125, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "84-69-5", - "name": "phthalic acid diisobutyl ester", - "iupac_name": "bis(2-methylpropyl) benzene-1,2-dicarboxylate", - "smiles": "CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C", - "inchi": "InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3" - }, - "molarweight": 278.152, - "m": 7.45512, - "sigma": 3.69998, - "epsilon_k": 262.59779, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "molarweight": 101.12, - "m": 3.24426, - "sigma": 3.8504, - "epsilon_k": 227.62511, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.36957, - "epsilon_k_ab": 428.58459 - } - ] - }, - { - "identifier": { - "cas": "1067-08-9", - "name": "3-methyl-3-ethylpentane", - "iupac_name": "3-ethyl-3-methylpentane", - "smiles": "CCC(C)(CC)CC", - "inchi": "InChI=1S/C8H18/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3" - }, - "molarweight": 114.141, - "m": 3.09421, - "sigma": 4.06572, - "epsilon_k": 266.92626 - }, - { - "identifier": { - "cas": "17312-77-5", - "name": "2,3-dimethylundecane", - "iupac_name": "2,3-dimethylundecane", - "smiles": "CCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C13H28/c1-5-6-7-8-9-10-11-13(4)12(2)3/h12-13H,5-11H2,1-4H3" - }, - "molarweight": 184.219, - "m": 4.88341, - "sigma": 4.08206, - "epsilon_k": 264.31308 - }, - { - "identifier": { - "cas": "6163-66-2", - "name": "di-tert-butyl ether", - "iupac_name": "2-methyl-2-[(2-methylpropan-2-yl)oxy]propane", - "smiles": "CC(C)(C)OC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3" - }, - "molarweight": 130.136, - "m": 3.58624, - "sigma": 3.95209, - "epsilon_k": 237.30769, - "mu": 1.21, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "10147-36-1", - "name": "propanesulfonyl chloride", - "iupac_name": "propane-1-sulfonyl chloride", - "smiles": "CCCS(=O)(=O)Cl", - "inchi": "InChI=1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3" - }, - "molarweight": 141.986, - "m": 3.44022, - "sigma": 3.57119, - "epsilon_k": 312.8655, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "molarweight": 102.068, - "m": 3.81902, - "sigma": 3.40421, - "epsilon_k": 233.62688, - "mu": 1.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "587-03-1", - "name": "3-methylbenzyl alcohol", - "iupac_name": "(3-methylphenyl)methanol", - "smiles": "Cc1cccc(CO)c1", - "inchi": "InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3" - }, - "molarweight": 122.073, - "m": 7.43098, - "sigma": 2.88488, - "epsilon_k": 224.7756, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3158.02548 - } - ] - }, - { - "identifier": { - "cas": "1795-17-1", - "name": "n-dodecylcyclohexane", - "iupac_name": "dodecylcyclohexane", - "smiles": "CCCCCCCCCCCCC1CCCCC1", - "inchi": "InChI=1S/C18H36/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-17H2,1H3" - }, - "molarweight": 252.282, - "m": 8.08947, - "sigma": 3.75168, - "epsilon_k": 246.30357 - }, - { - "identifier": { - "cas": "111-14-8", - "name": "heptanoic acid", - "iupac_name": "heptanoic acid", - "smiles": "CCCCCCC(=O)O", - "inchi": "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)" - }, - "molarweight": 130.099, - "m": 5.92099, - "sigma": 3.23324, - "epsilon_k": 248.24152, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3860.065 - } - ] - }, - { - "identifier": { - "cas": "519-73-3", - "name": "triphenylmethane", - "iupac_name": "benzhydrylbenzene", - "smiles": "c1ccc(C(c2ccccc2)c2ccccc2)cc1", - "inchi": "InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H" - }, - "molarweight": 244.125, - "m": 5.45854, - "sigma": 3.93054, - "epsilon_k": 322.75418 - }, - { - "identifier": { - "cas": "127-17-3", - "name": "pyruvic acid [2-oxo-propionic acid]", - "iupac_name": "2-oxopropanoic acid", - "smiles": "CC(=O)C(=O)O", - "inchi": "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)" - }, - "molarweight": 88.016, - "m": 4.12024, - "sigma": 2.77065, - "epsilon_k": 164.58826, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.09101, - "epsilon_k_ab": 3105.16621 - } - ] - }, - { - "identifier": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "molarweight": 58.042, - "m": 2.52752, - "sigma": 3.2733, - "epsilon_k": 241.47794, - "mu": 2.01, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "molarweight": 112.125, - "m": 3.78331, - "sigma": 3.79804, - "epsilon_k": 241.90583 - }, - { - "identifier": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "molarweight": 62.019, - "m": 2.31357, - "sigma": 3.44293, - "epsilon_k": 262.63287, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "592-42-7", - "name": "1,5-hexadiene", - "iupac_name": "hexa-1,5-diene", - "smiles": "C=CCCC=C", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2" - }, - "molarweight": 82.078, - "m": 2.70851, - "sigma": 3.82118, - "epsilon_k": 248.0981 - }, - { - "identifier": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "molarweight": 142.078, - "m": 3.20464, - "sigma": 3.99261, - "epsilon_k": 355.29216 - }, - { - "identifier": { - "cas": "10026-04-7", - "name": "tetrachlorosilane", - "iupac_name": "tetrachlorosilane", - "smiles": "Cl[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl4Si/c1-5(2,3)4" - }, - "molarweight": 167.852, - "m": 2.58094, - "sigma": 3.8323, - "epsilon_k": 254.38238 - }, - { - "identifier": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" - }, - "molarweight": 87.105, - "m": 3.24364, - "sigma": 3.64534, - "epsilon_k": 237.87493, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.15168, - "epsilon_k_ab": 1005.52848 - } - ] - }, - { - "identifier": { - "cas": "2442-49-1", - "name": "tetracosanoic acid, methyl ester", - "iupac_name": "methyl tetracosanoate", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3" - }, - "molarweight": 382.381, - "m": 23.32288, - "sigma": 2.92015, - "epsilon_k": 186.45747, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "6291-84-5", - "name": "n-methylpropane-1,3-diamine", - "iupac_name": "n'-methylpropane-1,3-diamine", - "smiles": "CNCCCN", - "inchi": "InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3" - }, - "molarweight": 88.1, - "m": 2.26839, - "sigma": 4.05107, - "epsilon_k": 340.08937, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.00066, - "epsilon_k_ab": 1907.1663 - } - ] - }, - { - "identifier": { - "cas": "103-63-9", - "name": "(2-bromoethyl)benzene", - "iupac_name": "2-bromoethylbenzene", - "smiles": "BrCCc1ccccc1", - "inchi": "InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2" - }, - "molarweight": 183.989, - "m": 4.17793, - "sigma": 3.56695, - "epsilon_k": 293.32117 - }, - { - "identifier": { - "cas": "97-72-3", - "name": "2-methyl-propionic anhydride", - "iupac_name": "2-methylpropanoyl 2-methylpropanoate", - "smiles": "CC(C)C(=O)OC(=O)C(C)C", - "inchi": "InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3" - }, - "molarweight": 158.094, - "m": 4.6442, - "sigma": 3.6466, - "epsilon_k": 253.47293, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "molarweight": 74.073, - "m": 3.66387, - "sigma": 3.24366, - "epsilon_k": 232.69184, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01435, - "epsilon_k_ab": 2163.47788 - } - ] - }, - { - "identifier": { - "cas": "111-11-5", - "name": "octanoic acid methyl ester", - "iupac_name": "methyl octanoate", - "smiles": "CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3" - }, - "molarweight": 158.131, - "m": 5.13287, - "sigma": 3.62464, - "epsilon_k": 245.75778, - "mu": 1.71, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "molarweight": 136.089, - "m": 2.26357, - "sigma": 4.5, - "epsilon_k": 373.07364, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00131, - "epsilon_k_ab": 2991.18529 - } - ] - }, - { - "identifier": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "molarweight": 102.068, - "m": 3.72169, - "sigma": 3.42377, - "epsilon_k": 237.87081, - "mu": 1.7, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "77-74-7", - "name": "3-methyl-3-pentanol", - "iupac_name": "3-methylpentan-3-ol", - "smiles": "CCC(C)(O)CC", - "inchi": "InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3" - }, - "molarweight": 102.104, - "m": 3.80776, - "sigma": 3.5306, - "epsilon_k": 242.94264, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00022, - "epsilon_k_ab": 2821.43953 - } - ] - }, - { - "identifier": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "molarweight": 151.875, - "m": 2.32199, - "sigma": 3.79797, - "epsilon_k": 292.54982 - }, - { - "identifier": { - "cas": "61868-07-3", - "name": "2,4-dimethylpentadecane", - "smiles": "CCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C17H36/c1-5-6-7-8-9-10-11-12-13-14-17(4)15-16(2)3/h16-17H,5-15H2,1-4H3" - }, - "molarweight": 240.282, - "m": 8.87592, - "sigma": 3.60871, - "epsilon_k": 220.51253 - }, - { - "identifier": { - "cas": "628-76-2", - "name": "1,5-dichloropentane", - "iupac_name": "1,5-dichloropentane", - "smiles": "ClCCCCCCl", - "inchi": "InChI=1S/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2" - }, - "molarweight": 140.016, - "m": 3.91414, - "sigma": 3.55572, - "epsilon_k": 280.84797, - "mu": 2.36 - }, - { - "identifier": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "molarweight": 126.0, - "m": 2.85528, - "sigma": 3.77798, - "epsilon_k": 315.50637, - "mu": 2.22 - }, - { - "identifier": { - "cas": "143-16-8", - "name": "dihexylamine", - "iupac_name": "n-hexylhexan-1-amine", - "smiles": "CCCCCCNCCCCCC", - "inchi": "InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3" - }, - "molarweight": 185.214, - "m": 3.66449, - "sigma": 4.5, - "epsilon_k": 262.55031, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.10559, - "epsilon_k_ab": 2340.8518 - } - ] - }, - { - "identifier": { - "cas": "507-55-1", - "name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane r225cb", - "iupac_name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane", - "smiles": "FC(Cl)C(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H" - }, - "molarweight": 201.938, - "m": 2.77618, - "sigma": 3.88512, - "epsilon_k": 238.17817 - }, - { - "identifier": { - "cas": "108-36-1", - "name": "m-dibromobenzene", - "iupac_name": "1,3-dibromobenzene", - "smiles": "Brc1cccc(Br)c1", - "inchi": "InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "molarweight": 233.868, - "m": 2.97212, - "sigma": 3.86812, - "epsilon_k": 358.63284, - "mu": 1.47 - }, - { - "identifier": { - "cas": "1613-51-0", - "name": "tetrahydrothiopyran", - "iupac_name": "thiane", - "smiles": "C1CCSCC1", - "inchi": "InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2" - }, - "molarweight": 102.05, - "m": 2.51582, - "sigma": 3.85477, - "epsilon_k": 330.91106, - "mu": 1.71, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "molarweight": 98.11, - "m": 3.27031, - "sigma": 3.83115, - "epsilon_k": 244.19525 - }, - { - "identifier": { - "cas": "60-33-3", - "name": "linoleic acid", - "iupac_name": "(9z,12z)-octadeca-9,12-dienoic acid", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-" - }, - "molarweight": 280.24, - "m": 6.33016, - "sigma": 4.18378, - "epsilon_k": 306.76458, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00109, - "epsilon_k_ab": 4063.6129 - } - ] - }, - { - "identifier": { - "cas": "80-73-9", - "name": "1,3-dimethylimidazolidin-2-one", - "iupac_name": "1,3-dimethylimidazolidin-2-one", - "smiles": "CN1CCN(C)C1=O", - "inchi": "InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3" - }, - "molarweight": 114.079, - "m": 3.58364, - "sigma": 3.5106, - "epsilon_k": 312.0671, - "mu": 4.05, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "molarweight": 112.125, - "m": 3.34042, - "sigma": 3.93391, - "epsilon_k": 244.32548 - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "molarweight": 106.078, - "m": 3.0887, - "sigma": 3.781, - "epsilon_k": 287.08422 - }, - { - "identifier": { - "cas": "542-10-9", - "name": "1,1-ethanediol diacetate", - "iupac_name": "1-acetyloxyethyl acetate", - "smiles": "CC(=O)OC(C)OC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3" - }, - "molarweight": 146.058, - "m": 5.39448, - "sigma": 3.23042, - "epsilon_k": 232.28333, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "molarweight": 106.063, - "m": 3.36723, - "sigma": 3.40911, - "epsilon_k": 174.98848, - "association_sites": [ - { - "na": 2.0, - "nb": 3.0, - "kappa_ab": 0.06873, - "epsilon_k_ab": 2525.13962 - } - ] - }, - { - "identifier": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "smiles": "C=C(C)CCC", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "molarweight": 84.094, - "m": 2.91935, - "sigma": 3.77441, - "epsilon_k": 239.2978 - }, - { - "identifier": { - "cas": "3221-61-2", - "name": "2-methyloctane", - "iupac_name": "2-methyloctane", - "smiles": "CCCCCCC(C)C", - "inchi": "InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3" - }, - "molarweight": 128.157, - "m": 4.10474, - "sigma": 3.87073, - "epsilon_k": 242.55508 - }, - { - "identifier": { - "cas": "10038-98-9", - "name": "tetrachlorogermane", - "iupac_name": "tetrachlorogermane", - "smiles": "Cl[Ge](Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl4Ge/c1-5(2,3)4" - }, - "molarweight": 213.797, - "m": 2.63314, - "sigma": 3.84498, - "epsilon_k": 273.45657 - }, - { - "identifier": { - "cas": "97-88-1", - "name": "methacrylic acid, butyl ester", - "iupac_name": "butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCCC", - "inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" - }, - "molarweight": 142.099, - "m": 4.38285, - "sigma": 3.66084, - "epsilon_k": 249.35497, - "mu": 2.15, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "544-01-4", - "name": "diisopentyl ether", - "iupac_name": "3-methyl-1-(3-methylbutoxy)butane", - "smiles": "CC(C)CCOCCC(C)C", - "inchi": "InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3" - }, - "molarweight": 158.167, - "m": 4.56289, - "sigma": 3.92369, - "epsilon_k": 244.17154, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "120-61-6", - "name": "dimethyl terephthalate", - "iupac_name": "dimethyl benzene-1,4-dicarboxylate", - "smiles": "COC(=O)c1ccc(C(=O)OC)cc1", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3" - }, - "molarweight": 194.058, - "m": 4.80257, - "sigma": 3.6395, - "epsilon_k": 308.88309, - "mu": 2.3, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "1078-71-3", - "name": "heptylbenzene", - "iupac_name": "heptylbenzene", - "smiles": "CCCCCCCc1ccccc1", - "inchi": "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3" - }, - "molarweight": 176.157, - "m": 4.98783, - "sigma": 3.8621, - "epsilon_k": 274.88065 - }, - { - "identifier": { - "cas": "104-72-3", - "name": "1-phenyldecane", - "iupac_name": "decylbenzene", - "smiles": "CCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3" - }, - "molarweight": 218.203, - "m": 6.06829, - "sigma": 3.90803, - "epsilon_k": 272.88466 - }, - { - "identifier": { - "cas": "593-53-3", - "name": "methyl fluoride [r41]", - "iupac_name": "fluoromethane", - "smiles": "CF", - "inchi": "InChI=1S/CH3F/c1-2/h1H3" - }, - "molarweight": 34.022, - "m": 2.0437, - "sigma": 2.89783, - "epsilon_k": 152.84981, - "mu": 1.85 - }, - { - "identifier": { - "cas": "66538-96-3", - "name": "6-butyl-7-hexyl-1,2,3,4-tetrahydronaphthalene", - "iupac_name": "6-butyl-7-hexyl-1,2,3,4-tetrahydronaphthalene", - "smiles": "CCCCCCc1cc2c(cc1CCCC)CCCC2", - "inchi": "InChI=1S/C20H32/c1-3-5-7-8-12-18-16-20-14-10-9-13-19(20)15-17(18)11-6-4-2/h15-16H,3-14H2,1-2H3" - }, - "molarweight": 272.25, - "m": 6.62524, - "sigma": 4.02038, - "epsilon_k": 288.72756 - }, - { - "identifier": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "molarweight": 160.125, - "m": 3.7126, - "sigma": 4.02435, - "epsilon_k": 320.80454 - }, - { - "identifier": { - "cas": "16587-33-0", - "name": "1,2,3,4-tetrahydrodibenzothiophene", - "iupac_name": "1,2,3,4-tetrahydrodibenzothiophene", - "smiles": "c1ccc2c3c(sc2c1)CCCC3", - "inchi": "InChI=1S/C12H12S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7H,2,4,6,8H2" - }, - "molarweight": 188.066, - "m": 3.79202, - "sigma": 3.99425, - "epsilon_k": 373.72292, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "57-57-8", - "name": "2-oxetanone", - "iupac_name": "oxetan-2-one", - "smiles": "O=C1CCO1", - "inchi": "InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2" - }, - "molarweight": 72.021, - "m": 3.25309, - "sigma": 3.01291, - "epsilon_k": 257.0024, - "mu": 4.18, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "99-99-0", - "name": "p-nitrotoluene", - "iupac_name": "1-methyl-4-nitrobenzene", - "smiles": "Cc1ccc([N+](=O)[O-])cc1", - "inchi": "InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3" - }, - "molarweight": 137.048, - "m": 3.78116, - "sigma": 3.56015, - "epsilon_k": 309.08416, - "mu": 4.44, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "589-92-4", - "name": "4-methylcyclohexanone", - "iupac_name": "4-methylcyclohexan-1-one", - "smiles": "CC1CCC(=O)CC1", - "inchi": "InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3" - }, - "molarweight": 112.089, - "m": 3.06707, - "sigma": 3.82077, - "epsilon_k": 313.80941, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "108-70-3", - "name": "1,3,5-trichlorobenzene", - "iupac_name": "1,3,5-trichlorobenzene", - "smiles": "Clc1cc(Cl)cc(Cl)c1", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H" - }, - "molarweight": 179.93, - "m": 3.34345, - "sigma": 3.75742, - "epsilon_k": 326.53359 - }, - { - "identifier": { - "cas": "101-97-3", - "name": "phenylacetic acid ethyl ester", - "iupac_name": "ethyl 2-phenylacetate", - "smiles": "CCOC(=O)Cc1ccccc1", - "inchi": "InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3" - }, - "molarweight": 164.084, - "m": 4.95838, - "sigma": 3.54619, - "epsilon_k": 272.29543, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "molarweight": 129.914, - "m": 2.55181, - "sigma": 3.59585, - "epsilon_k": 287.2974, - "mu": 0.9 - }, - { - "identifier": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "molarweight": 82.078, - "m": 3.44431, - "sigma": 3.48564, - "epsilon_k": 233.64361 - }, - { - "identifier": { - "cas": "823-22-3", - "name": "tetrahydro-6-methyl-2h-pyran-2-one", - "iupac_name": "6-methyloxan-2-one", - "smiles": "CC1CCCC(=O)O1", - "inchi": "InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3" - }, - "molarweight": 114.068, - "m": 3.9316, - "sigma": 3.3994, - "epsilon_k": 312.74487, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "molarweight": 87.068, - "m": 3.47319, - "sigma": 3.33831, - "epsilon_k": 276.54326, - "mu": 3.81, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "139-66-2", - "name": "phenylsulfide", - "iupac_name": "phenylsulfanylbenzene", - "smiles": "c1ccc(Sc2ccccc2)cc1", - "inchi": "InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 186.05, - "m": 4.16567, - "sigma": 3.8737, - "epsilon_k": 337.82737, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "molarweight": 98.11, - "m": 2.66045, - "sigma": 3.9956, - "epsilon_k": 282.31227 - }, - { - "identifier": { - "cas": "78-08-0", - "name": "vinyl triethoxy silane", - "iupac_name": "ethenyl(triethoxy)silane", - "smiles": "C=C[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H18O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h8H,4-7H2,1-3H3" - }, - "molarweight": 190.103, - "m": 6.34537, - "sigma": 3.49229, - "epsilon_k": 203.14325, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "molarweight": 100.089, - "m": 3.63118, - "sigma": 3.56677, - "epsilon_k": 252.94354, - "mu": 2.68, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "112-05-0", - "name": "nonanoic acid", - "iupac_name": "nonanoic acid", - "smiles": "CCCCCCCCC(=O)O", - "inchi": "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)" - }, - "molarweight": 158.131, - "m": 5.41128, - "sigma": 3.59757, - "epsilon_k": 269.67493, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 4330.29863 - } - ] - }, - { - "identifier": { - "cas": "496-14-0", - "name": "2,5-dihydrobenzo-3,4-furan ", - "iupac_name": "1,3-dihydro-2-benzofuran", - "smiles": "c1ccc2c(c1)COC2", - "inchi": "InChI=1S/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2" - }, - "molarweight": 120.058, - "m": 3.43276, - "sigma": 3.5659, - "epsilon_k": 314.19826, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "119-65-3", - "name": "isoquinoline", - "iupac_name": "isoquinoline", - "smiles": "c1ccc2cnccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" - }, - "molarweight": 129.058, - "m": 3.15614, - "sigma": 3.78003, - "epsilon_k": 361.32096, - "mu": 2.73, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "589-82-2", - "name": "3-heptanol", - "iupac_name": "heptan-3-ol", - "smiles": "CCCCC(O)CC", - "inchi": "InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 116.12, - "m": 3.88509, - "sigma": 3.70955, - "epsilon_k": 252.81049, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00366, - "epsilon_k_ab": 2424.04864 - } - ] - }, - { - "identifier": { - "cas": "2141-62-0", - "name": "3-ethoxypropionitrile", - "iupac_name": "3-ethoxypropanenitrile", - "smiles": "CCOCCC#N", - "inchi": "InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3" - }, - "molarweight": 99.068, - "m": 3.69288, - "sigma": 3.44505, - "epsilon_k": 289.64755, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2016-57-1", - "name": "n-decylamine", - "iupac_name": "decan-1-amine", - "smiles": "CCCCCCCCCCN", - "inchi": "InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3" - }, - "molarweight": 157.183, - "m": 3.6327, - "sigma": 4.28387, - "epsilon_k": 298.56771, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01438, - "epsilon_k_ab": 1828.8274 - } - ] - }, - { - "identifier": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "molarweight": 99.105, - "m": 1.88961, - "sigma": 4.44098, - "epsilon_k": 360.7346, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01058, - "epsilon_k_ab": 1567.84017 - } - ] - }, - { - "identifier": { - "cas": "88-15-3", - "name": "2-acetylthiophene", - "iupac_name": "1-thiophen-2-ylethanone", - "smiles": "CC(=O)c1cccs1", - "inchi": "InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3" - }, - "molarweight": 126.014, - "m": 3.77328, - "sigma": 3.43464, - "epsilon_k": 314.14213, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "molarweight": 100.014, - "m": 4.11855, - "sigma": 2.82674, - "epsilon_k": 193.36685, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.06634, - "epsilon_k_ab": 1595.77038 - } - ] - }, - { - "identifier": { - "cas": "106-33-2", - "name": "dodecanoic acid ethyl ester", - "iupac_name": "ethyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3" - }, - "molarweight": 228.209, - "m": 6.84174, - "sigma": 3.77182, - "epsilon_k": 249.46857, - "mu": 1.76, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 88.089, - "m": 2.88784, - "sigma": 3.73187, - "epsilon_k": 260.46563, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00539, - "epsilon_k_ab": 2649.13909 - } - ] - }, - { - "identifier": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "molarweight": 141.995, - "m": 3.69008, - "sigma": 3.5432, - "epsilon_k": 288.15618, - "mu": 2.58, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "344-07-0", - "name": "chloropentafluorobenzene", - "iupac_name": "1-chloro-2,3,4,5,6-pentafluorobenzene", - "smiles": "Fc1c(F)c(F)c(Cl)c(F)c1F", - "inchi": "InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "molarweight": 201.961, - "m": 3.75124, - "sigma": 3.54168, - "epsilon_k": 245.77185 - }, - { - "identifier": { - "cas": "78-85-3", - "name": "methacrolein", - "iupac_name": "2-methylprop-2-enal", - "smiles": "C=C(C)C=O", - "inchi": "InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3" - }, - "molarweight": 70.042, - "m": 2.58152, - "sigma": 3.49089, - "epsilon_k": 256.52442, - "mu": 2.68, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "163702-05-4", - "name": "nonafluorobutyl ethyl ether", - "iupac_name": "1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane", - "smiles": "CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3" - }, - "molarweight": 264.02, - "m": 4.51732, - "sigma": 3.68314, - "epsilon_k": 192.01117, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "617-78-7", - "name": "3-ethylpentane", - "iupac_name": "3-ethylpentane", - "smiles": "CCC(CC)CC", - "inchi": "InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3" - }, - "molarweight": 100.125, - "m": 3.17762, - "sigma": 3.89316, - "epsilon_k": 247.47183 - }, - { - "identifier": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "molarweight": 90.068, - "m": 2.6315, - "sigma": 3.62098, - "epsilon_k": 130.73932, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.03413, - "epsilon_k_ab": 2912.47798 - } - ] - }, - { - "identifier": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "molarweight": 72.094, - "m": 2.35712, - "sigma": 3.95028, - "epsilon_k": 225.61501 - }, - { - "identifier": { - "cas": "591-49-1", - "name": "1-methylcyclohexene", - "iupac_name": "1-methylcyclohexene", - "smiles": "CC1=CCCCC1", - "inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3" - }, - "molarweight": 96.094, - "m": 2.62859, - "sigma": 3.92804, - "epsilon_k": 294.2903 - }, - { - "identifier": { - "cas": "3877-15-4", - "name": "2-thiapentane", - "iupac_name": "1-methylsulfanylpropane", - "smiles": "CCCSC", - "inchi": "InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3" - }, - "molarweight": 90.05, - "m": 2.91541, - "sigma": 3.64742, - "epsilon_k": 268.75571, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "molarweight": 179.119, - "m": 4.95837, - "sigma": 3.66702, - "epsilon_k": 259.0816, - "mu": 5.54, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "598-53-8", - "name": "methyl isopropyl ether", - "iupac_name": "2-methoxypropane", - "smiles": "COC(C)C", - "inchi": "InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3" - }, - "molarweight": 74.073, - "m": 2.825, - "sigma": 3.54669, - "epsilon_k": 223.17478, - "mu": 1.25, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "124-11-8", - "name": "1-nonene", - "iupac_name": "non-1-ene", - "smiles": "C=CCCCCCCC", - "inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3" - }, - "molarweight": 126.141, - "m": 4.09616, - "sigma": 3.84022, - "epsilon_k": 245.89649 - }, - { - "identifier": { - "cas": "14144-48-0", - "name": "propionic acid,beta butoxy,butyl ester", - "iupac_name": "butyl 3-butoxypropanoate", - "smiles": "CCCCOCCC(=O)OCCCC", - "inchi": "InChI=1S/C11H22O3/c1-3-5-8-13-10-7-11(12)14-9-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 202.157, - "m": 7.63407, - "sigma": 3.39225, - "epsilon_k": 220.40783, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "molarweight": 74.037, - "m": 3.25306, - "sigma": 3.14634, - "epsilon_k": 228.69349, - "mu": 1.7, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "25117-29-7", - "name": "4-methylheneicosane", - "iupac_name": "4-methylhenicosane", - "smiles": "CCCCCCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22(3)20-5-2/h22H,4-21H2,1-3H3" - }, - "molarweight": 310.36, - "m": 7.7279, - "sigma": 4.15132, - "epsilon_k": 266.52255 - }, - { - "identifier": { - "cas": "1119-40-0", - "name": "dimethyl glutarate", - "iupac_name": "dimethyl pentanedioate", - "smiles": "COC(=O)CCCC(=O)OC", - "inchi": "InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3" - }, - "molarweight": 160.074, - "m": 5.65796, - "sigma": 3.28952, - "epsilon_k": 248.24325, - "mu": 2.36, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "21531-33-9", - "name": "cis,anti,cis-tricyclo[3.1.0.0 2,4]hexane", - "smiles": "C1[C@H]2[C@@H]3C[C@@H]3[C@@H]12", - "inchi": "InChI=1/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5+,6-" - }, - "molarweight": 80.063, - "m": 1.93836, - "sigma": 3.99922, - "epsilon_k": 320.54326 - }, - { - "identifier": { - "cas": "99-08-1", - "name": "m-nitrotoluene", - "iupac_name": "1-methyl-3-nitrobenzene", - "smiles": "Cc1cccc([N+](=O)[O-])c1", - "inchi": "InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3" - }, - "molarweight": 137.048, - "m": 3.51777, - "sigma": 3.64735, - "epsilon_k": 318.85702, - "mu": 4.23, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "517-23-7", - "name": "2-acetylbutyrolactone", - "iupac_name": "3-acetyloxolan-2-one", - "smiles": "CC(=O)C1CCOC1=O", - "inchi": "InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3" - }, - "molarweight": 128.047, - "m": 4.66628, - "sigma": 3.20028, - "epsilon_k": 306.36263, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "molarweight": 88.035, - "m": 2.47627, - "sigma": 3.65909, - "epsilon_k": 319.33999, - "mu": 1.9, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "molarweight": 16.031, - "m": 1.0, - "sigma": 3.70051, - "epsilon_k": 150.07147 - }, - { - "identifier": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "molarweight": 256.24, - "m": 7.6406, - "sigma": 3.79434, - "epsilon_k": 249.10583, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "molarweight": 98.019, - "m": 2.80518, - "sigma": 3.59397, - "epsilon_k": 290.92017, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "700-12-9", - "name": "pentamethylbenzene", - "iupac_name": "1,2,3,4,5-pentamethylbenzene", - "smiles": "Cc1cc(C)c(C)c(C)c1C", - "inchi": "InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3" - }, - "molarweight": 148.125, - "m": 3.84094, - "sigma": 3.907, - "epsilon_k": 312.15404 - }, - { - "identifier": { - "cas": "25154-52-3", - "name": "nonylphenols (mixture of isomeres)", - "iupac_name": "2-nonylphenol", - "smiles": "CC(C)CC(C)CC(C)c1ccc(O)cc1", - "inchi": "InChI=1S/C15H24O/c1-11(2)9-12(3)10-13(4)14-5-7-15(16)8-6-14/h5-8,11-13,16H,9-10H2,1-4H3" - }, - "molarweight": 220.183, - "m": 4.39731, - "sigma": 4.24914, - "epsilon_k": 334.03606, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "molarweight": 44.063, - "m": 1.98602, - "sigma": 3.6244, - "epsilon_k": 209.08586 - }, - { - "identifier": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "molarweight": 137.99, - "m": 2.81452, - "sigma": 3.31739, - "epsilon_k": 140.26853 - }, - { - "identifier": { - "cas": "148-24-3", - "name": "8-hydroxyquinoline", - "iupac_name": "quinolin-8-ol", - "smiles": "Oc1cccc2cccnc12", - "inchi": "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" - }, - "molarweight": 145.053, - "m": 2.29609, - "sigma": 4.314, - "epsilon_k": 453.4343, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00015, - "epsilon_k_ab": 3015.34258 - } - ] - }, - { - "identifier": { - "cas": "106-30-9", - "name": "ethyl heptanoate", - "iupac_name": "ethyl heptanoate", - "smiles": "CCCCCCC(=O)OCC", - "inchi": "InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3" - }, - "molarweight": 158.131, - "m": 8.04651, - "sigma": 3.05708, - "epsilon_k": 199.51212, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "molarweight": 194.115, - "m": 7.80456, - "sigma": 2.94878, - "epsilon_k": 101.98846, - "association_sites": [ - { - "na": 2.0, - "nb": 5.0, - "kappa_ab": 0.13605, - "epsilon_k_ab": 3339.48959 - } - ] - }, - { - "identifier": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "molarweight": 100.052, - "m": 3.57924, - "sigma": 3.39218, - "epsilon_k": 242.60295, - "mu": 1.67, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1795-16-0", - "name": "n-decylcyclohexane", - "iupac_name": "decylcyclohexane", - "smiles": "CCCCCCCCCCC1CCCCC1", - "inchi": "InChI=1S/C16H32/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h16H,2-15H2,1H3" - }, - "molarweight": 224.25, - "m": 6.10523, - "sigma": 3.98296, - "epsilon_k": 270.33241 - }, - { - "identifier": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "molarweight": 136.125, - "m": 3.72303, - "sigma": 3.91098, - "epsilon_k": 280.38514 - }, - { - "identifier": { - "cas": "110-57-6", - "name": "1,4-dichloro-trans-2-butene", - "iupac_name": "(e)-1,4-dichlorobut-2-ene", - "smiles": "ClC/C=C/CCl", - "inchi": "InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+" - }, - "molarweight": 123.985, - "m": 3.83059, - "sigma": 3.33815, - "epsilon_k": 274.10452 - }, - { - "identifier": { - "cas": "7783-06-4", - "name": "hydrogen sulfide", - "iupac_name": "sulfane", - "smiles": "S", - "inchi": "InChI=1S/H2S/h1H2" - }, - "molarweight": 33.988, - "m": 1.63175, - "sigma": 3.06168, - "epsilon_k": 227.15574, - "mu": 0.97 - }, - { - "identifier": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "molarweight": 132.079, - "m": 4.83704, - "sigma": 3.34259, - "epsilon_k": 230.68301, - "mu": 1.8, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "4253-89-8", - "name": "diisopropyl disulfide", - "iupac_name": "2-(propan-2-yldisulfanyl)propane", - "smiles": "CC(C)SSC(C)C", - "inchi": "InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3" - }, - "molarweight": 150.054, - "m": 3.86522, - "sigma": 3.83194, - "epsilon_k": 274.69812, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "103-09-3", - "name": "2-ethylhexylacetate", - "iupac_name": "2-ethylhexyl acetate", - "smiles": "CCCCC(CC)COC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3" - }, - "molarweight": 172.146, - "m": 6.12871, - "sigma": 3.49249, - "epsilon_k": 226.87213, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "molarweight": 112.125, - "m": 3.44236, - "sigma": 3.88527, - "epsilon_k": 243.22029 - }, - { - "identifier": { - "cas": "622-45-7", - "name": "cyclohexyl acetate", - "iupac_name": "cyclohexyl acetate", - "smiles": "CC(=O)OC1CCCCC1", - "inchi": "InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3" - }, - "molarweight": 142.099, - "m": 4.24531, - "sigma": 3.60968, - "epsilon_k": 262.58064, - "mu": 1.92, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1679-09-0", - "name": "2-methyl-2-butyl mercaptan", - "iupac_name": "2-methylbutane-2-thiol", - "smiles": "CCC(C)(C)S", - "inchi": "InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "molarweight": 104.066, - "m": 2.31874, - "sigma": 4.20535, - "epsilon_k": 296.80041, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01772, - "epsilon_k_ab": 967.97722 - } - ] - }, - { - "identifier": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "molarweight": 99.105, - "m": 2.6654, - "sigma": 3.93397, - "epsilon_k": 287.14191, - "mu": 0.92, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "591-93-5", - "name": "1,4-pentadiene", - "iupac_name": "penta-1,4-diene", - "smiles": "C=CCC=C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2" - }, - "molarweight": 68.063, - "m": 2.54223, - "sigma": 3.68026, - "epsilon_k": 233.50921 - }, - { - "identifier": { - "cas": "638-53-9", - "name": "tridecanoic acid", - "iupac_name": "tridecanoic acid", - "smiles": "CCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)" - }, - "molarweight": 214.193, - "m": 3.95264, - "sigma": 4.5, - "epsilon_k": 324.75921, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00124, - "epsilon_k_ab": 4246.25441 - } - ] - }, - { - "identifier": { - "cas": "62-75-9", - "name": "dimethylnitrosamine", - "iupac_name": "n,n-dimethylnitrous amide", - "smiles": "CN(C)N=O", - "inchi": "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3" - }, - "molarweight": 74.048, - "m": 3.22747, - "sigma": 3.17249, - "epsilon_k": 264.44065, - "mu": 3.98, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "126-98-7", - "name": "methacrylonitrile", - "iupac_name": "2-methylprop-2-enenitrile", - "smiles": "C=C(C)C#N", - "inchi": "InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3" - }, - "molarweight": 67.042, - "m": 2.67194, - "sigma": 3.49665, - "epsilon_k": 247.41785, - "mu": 3.69, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "molarweight": 70.078, - "m": 2.6183, - "sigma": 3.70315, - "epsilon_k": 232.75728 - }, - { - "identifier": { - "cas": "506-12-7", - "name": "margarinic acid", - "iupac_name": "heptadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)" - }, - "molarweight": 270.256, - "m": 7.32587, - "sigma": 3.93445, - "epsilon_k": 271.10356, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00669, - "epsilon_k_ab": 3372.71486 - } - ] - }, - { - "identifier": { - "cas": "3522-94-9", - "name": "2,2,5-trimethylhexane", - "iupac_name": "2,2,5-trimethylhexane", - "smiles": "CC(C)CCC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3" - }, - "molarweight": 128.157, - "m": 3.79634, - "sigma": 3.9655, - "epsilon_k": 239.72328 - }, - { - "identifier": { - "cas": "95-68-1", - "name": "2,4-dimethylaniline", - "iupac_name": "2,4-dimethylaniline", - "smiles": "Cc1ccc(N)c(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3" - }, - "molarweight": 121.089, - "m": 4.36025, - "sigma": 3.39878, - "epsilon_k": 231.05137, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 1710.41134 - } - ] - }, - { - "identifier": { - "cas": "110-45-2", - "name": "isoamyl formate", - "iupac_name": "3-methylbutyl formate", - "smiles": "CC(C)CCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 116.084, - "m": 3.86567, - "sigma": 3.56068, - "epsilon_k": 244.81321, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "628-80-8", - "name": "methyl pentyl ether", - "iupac_name": "1-methoxypentane", - "smiles": "CCCCCOC", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3" - }, - "molarweight": 102.104, - "m": 3.43666, - "sigma": 3.70442, - "epsilon_k": 242.76196, - "mu": 1.24, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "575-43-9", - "name": "1,6-dimethyl naphthalene", - "iupac_name": "1,6-dimethylnaphthalene", - "smiles": "Cc1ccc2c(C)cccc2c1", - "inchi": "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3" - }, - "molarweight": 156.094, - "m": 3.57578, - "sigma": 3.97739, - "epsilon_k": 348.07598 - }, - { - "identifier": { - "cas": "462-94-2", - "name": "1,5-diaminopentane", - "iupac_name": "pentane-1,5-diamine", - "smiles": "NCCCCCN", - "inchi": "InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2" - }, - "molarweight": 102.116, - "m": 3.53263, - "sigma": 3.4551, - "epsilon_k": 111.12223, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.13041, - "epsilon_k_ab": 2493.83639 - } - ] - }, - { - "identifier": { - "cas": "538-68-1", - "name": "pentylbenzene", - "iupac_name": "pentylbenzene", - "smiles": "CCCCCc1ccccc1", - "inchi": "InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3" - }, - "molarweight": 148.125, - "m": 4.12735, - "sigma": 3.86451, - "epsilon_k": 280.97538 - }, - { - "identifier": { - "cas": "3296-50-2", - "name": "trans-octahydro-1h-indene", - "iupac_name": "(3ar,7ar)-2,3,3a,4,5,6,7,7a-octahydro-1h-indene", - "smiles": "C1CC[C@H]2CCC[C@@H]2C1", - "inchi": "InChI=1/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9-/s2" - }, - "molarweight": 124.125, - "m": 2.96329, - "sigma": 4.06341, - "epsilon_k": 308.09592 - }, - { - "identifier": { - "cas": "791616-87-0", - "name": "trans-1,1,1,3-tetrafluoro-2-butene", - "iupac_name": "(e)-1,1,1,3-tetrafluorobut-2-ene", - "smiles": "C/C(F)=C\\C(F)(F)F", - "inchi": "InChI=1S/C4H4F4/c1-3(5)2-4(6,7)8/h2H,1H3/b3-2+" - }, - "molarweight": 128.025, - "m": 3.50151, - "sigma": 3.36008, - "epsilon_k": 186.39573 - }, - { - "identifier": { - "cas": "106-58-1", - "name": "1,4-dimethyl piperazine", - "iupac_name": "1,4-dimethylpiperazine", - "smiles": "CN1CCN(C)CC1", - "inchi": "InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3" - }, - "molarweight": 114.116, - "m": 3.29915, - "sigma": 3.78633, - "epsilon_k": 270.94696, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "112-14-1", - "name": "octyl acetate", - "iupac_name": "octyl acetate", - "smiles": "CCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3" - }, - "molarweight": 172.146, - "m": 5.69964, - "sigma": 3.61086, - "epsilon_k": 241.21798, - "mu": 1.84, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "111-25-1", - "name": "1-bromohexane", - "iupac_name": "1-bromohexane", - "smiles": "CCCCCCBr", - "inchi": "InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "molarweight": 164.02, - "m": 3.78552, - "sigma": 3.68502, - "epsilon_k": 266.43784 - }, - { - "identifier": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "molarweight": 136.125, - "m": 3.28923, - "sigma": 4.03598, - "epsilon_k": 284.60132 - }, - { - "identifier": { - "cas": "61868-02-8", - "name": "2,3-dimethylhexadecane", - "smiles": "CCCCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C18H38/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(4)17(2)3/h17-18H,5-16H2,1-4H3" - }, - "molarweight": 254.297, - "m": 6.39318, - "sigma": 4.14452, - "epsilon_k": 268.71914 - }, - { - "identifier": { - "cas": "95-13-6", - "name": "indene", - "iupac_name": "1h-indene", - "smiles": "C1=Cc2ccccc2C1", - "inchi": "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" - }, - "molarweight": 116.063, - "m": 3.02043, - "sigma": 3.78545, - "epsilon_k": 327.51113 - }, - { - "identifier": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "molarweight": 78.014, - "m": 3.06947, - "sigma": 3.22537, - "epsilon_k": 306.96339, - "mu": 3.96, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "104-78-9", - "name": "n,n-diethyl-1,3-diaminopropane", - "iupac_name": "n',n'-diethylpropane-1,3-diamine", - "smiles": "CCN(CC)CCCN", - "inchi": "InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3" - }, - "molarweight": 130.147, - "m": 2.51676, - "sigma": 4.5, - "epsilon_k": 335.01997, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00058, - "epsilon_k_ab": 2179.57906 - } - ] - }, - { - "identifier": { - "cas": "583-48-2", - "name": "3,4-dimethylhexane", - "iupac_name": "3,4-dimethylhexane", - "smiles": "CCC(C)C(C)CC", - "inchi": "InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 114.141, - "m": 3.37726, - "sigma": 3.95478, - "epsilon_k": 254.10125 - }, - { - "identifier": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "molarweight": 84.058, - "m": 2.73623, - "sigma": 3.55072, - "epsilon_k": 297.20182, - "mu": 3.0, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "molarweight": 82.078, - "m": 2.25901, - "sigma": 3.90709, - "epsilon_k": 301.81613 - }, - { - "identifier": { - "cas": "491-35-0", - "name": "4-methylquinoline", - "iupac_name": "4-methylquinoline", - "smiles": "Cc1ccnc2ccccc12", - "inchi": "InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3" - }, - "molarweight": 143.073, - "m": 3.62131, - "sigma": 3.75749, - "epsilon_k": 351.77565, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "100-00-5", - "name": "4-chloronitrobenzene", - "iupac_name": "1-chloro-4-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" - }, - "molarweight": 156.993, - "m": 3.31906, - "sigma": 3.68458, - "epsilon_k": 349.13793, - "mu": 2.83, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "105-70-4", - "name": "acetic acid 3-acetoxy-2-hydroxypropyl ester", - "iupac_name": "(3-acetyloxy-2-hydroxypropyl) acetate", - "smiles": "CC(=O)OCC(O)COC(C)=O", - "inchi": "InChI=1S/C7H12O5/c1-5(8)11-3-7(10)4-12-6(2)9/h7,10H,3-4H2,1-2H3" - }, - "molarweight": 176.068, - "m": 2.34395, - "sigma": 4.5, - "epsilon_k": 280.70672, - "association_sites": [ - { - "na": 1.0, - "nb": 5.0, - "kappa_ab": 0.00042, - "epsilon_k_ab": 5000.0 - } - ] - }, - { - "identifier": { - "cas": "101882-67-1", - "name": "2,4,6-trimethylpentadecane", - "smiles": "CCCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C18H38/c1-6-7-8-9-10-11-12-13-17(4)15-18(5)14-16(2)3/h16-18H,6-15H2,1-5H3" - }, - "molarweight": 254.297, - "m": 8.50162, - "sigma": 3.72854, - "epsilon_k": 224.77463 - }, - { - "identifier": { - "cas": "97-62-1", - "name": "ethyl isobutyrate", - "iupac_name": "ethyl 2-methylpropanoate", - "smiles": "CCOC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "molarweight": 116.084, - "m": 3.99067, - "sigma": 3.52027, - "epsilon_k": 230.4731, - "mu": 2.07, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "64-67-5", - "name": "sulfuric acid,diethyl ester", - "iupac_name": "diethyl sulfate", - "smiles": "CCOS(=O)(=O)OCC", - "inchi": "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3" - }, - "molarweight": 154.03, - "m": 4.16948, - "sigma": 3.53053, - "epsilon_k": 277.09201, - "mu": 4.41, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "molarweight": 87.068, - "m": 2.8418, - "sigma": 3.54793, - "epsilon_k": 216.28112, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.01161, - "epsilon_k_ab": 3121.70164 - } - ] - }, - { - "identifier": { - "cas": "3073-66-3", - "name": "1,1,3-trimethylcyclohexane", - "iupac_name": "1,1,3-trimethylcyclohexane", - "smiles": "CC1CCCC(C)(C)C1", - "inchi": "InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3" - }, - "molarweight": 126.141, - "m": 3.02181, - "sigma": 4.16813, - "epsilon_k": 283.1046 - }, - { - "identifier": { - "cas": "132-64-9", - "name": "dibenzo[b,d]furan", - "iupac_name": "dibenzofuran", - "smiles": "c1ccc2c(c1)oc1ccccc12", - "inchi": "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" - }, - "molarweight": 168.058, - "m": 3.63411, - "sigma": 3.88426, - "epsilon_k": 359.94237, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "molarweight": 102.068, - "m": 3.90764, - "sigma": 3.37142, - "epsilon_k": 229.26569, - "mu": 1.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "111-26-2", - "name": "hexylamine", - "iupac_name": "hexan-1-amine", - "smiles": "CCCCCCN", - "inchi": "InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3" - }, - "molarweight": 101.12, - "m": 3.6788, - "sigma": 3.58319, - "epsilon_k": 170.4449, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.38457, - "epsilon_k_ab": 2222.44907 - } - ] - }, - { - "identifier": { - "cas": "762-04-9", - "name": "diethoxy(oxo)phosphanium", - "iupac_name": "diethoxy(oxo)phosphanium", - "smiles": "CCO[PH](=O)OCC", - "inchi": "InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3" - }, - "molarweight": 138.045, - "m": 4.16892, - "sigma": 3.49066, - "epsilon_k": 276.25483, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "542-52-9", - "name": "dibutylcarbonate", - "iupac_name": "dibutyl carbonate", - "smiles": "CCCCOC(=O)OCCCC", - "inchi": "InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 174.126, - "m": 5.66524, - "sigma": 3.55425, - "epsilon_k": 239.76774, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "2163-42-0", - "name": "2-methyl-1,3-propanediol", - "iupac_name": "2-methylpropane-1,3-diol", - "smiles": "CC(CO)CO", - "inchi": "InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3" - }, - "molarweight": 90.068, - "m": 1.53927, - "sigma": 4.5, - "epsilon_k": 393.91842, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.00428, - "epsilon_k_ab": 2597.23233 - } - ] - }, - { - "identifier": { - "cas": "88-74-4", - "name": "o-nitroaniline", - "iupac_name": "2-nitroaniline", - "smiles": "Nc1ccccc1[N+](=O)[O-]", - "inchi": "InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2" - }, - "molarweight": 138.043, - "m": 1.79764, - "sigma": 4.5, - "epsilon_k": 353.48273, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.00412, - "epsilon_k_ab": 4098.0265 - } - ] - }, - { - "identifier": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "molarweight": 130.099, - "m": 4.60365, - "sigma": 3.49505, - "epsilon_k": 234.09757, - "mu": 1.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "91-66-7", - "name": "n,n-diethylaniline", - "iupac_name": "n,n-diethylaniline", - "smiles": "CCN(CC)c1ccccc1", - "inchi": "InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" - }, - "molarweight": 149.12, - "m": 4.70064, - "sigma": 3.58316, - "epsilon_k": 272.82253, - "mu": 1.81, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "molarweight": 128.157, - "m": 4.3188, - "sigma": 3.79721, - "epsilon_k": 241.29275 - }, - { - "identifier": { - "cas": "3172-52-9", - "name": "2,5-dichlorothiophene", - "iupac_name": "2,5-dichlorothiophene", - "smiles": "Clc1ccc(Cl)s1", - "inchi": "InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H" - }, - "molarweight": 151.925, - "m": 2.20194, - "sigma": 4.08138, - "epsilon_k": 376.82437, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "61868-05-1", - "name": "2,4-dimethyltridecane", - "iupac_name": "2,4-dimethyltridecane", - "smiles": "CCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C15H32/c1-5-6-7-8-9-10-11-12-15(4)13-14(2)3/h14-15H,5-13H2,1-4H3" - }, - "molarweight": 212.25, - "m": 6.75634, - "sigma": 3.81942, - "epsilon_k": 236.85279 - }, - { - "identifier": { - "cas": "100-01-6", - "name": "p-nitroaniline", - "iupac_name": "4-nitroaniline", - "smiles": "Nc1ccc([N+](=O)[O-])cc1", - "inchi": "InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2" - }, - "molarweight": 138.043, - "m": 11.0606, - "sigma": 2.17166, - "epsilon_k": 144.01604, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.42541, - "epsilon_k_ab": 4530.69897 - } - ] - }, - { - "identifier": { - "cas": "149-74-6", - "name": "dichloromethylphenylsilane", - "iupac_name": "dichloro-methyl-phenylsilane", - "smiles": "C[Si](Cl)(Cl)c1ccccc1", - "inchi": "InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 189.977, - "m": 3.76993, - "sigma": 3.90967, - "epsilon_k": 295.33279, - "mu": 2.4 - }, - { - "identifier": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "molarweight": 154.136, - "m": 3.44681, - "sigma": 4.05947, - "epsilon_k": 290.23997, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "3178-22-1", - "name": "tert-butylcyclohexane", - "iupac_name": "tert-butylcyclohexane", - "smiles": "CC(C)(C)C1CCCCC1", - "inchi": "InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3" - }, - "molarweight": 140.157, - "m": 3.53263, - "sigma": 4.062, - "epsilon_k": 281.9821 - }, - { - "identifier": { - "cas": "108-43-0", - "name": "m-chlorophenol", - "iupac_name": "3-chlorophenol", - "smiles": "Oc1cccc(Cl)c1", - "inchi": "InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H" - }, - "molarweight": 128.003, - "m": 4.2094, - "sigma": 3.23742, - "epsilon_k": 297.57927, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2595.28048 - } - ] - }, - { - "identifier": { - "cas": "4766-57-8", - "name": "butyl silicate", - "iupac_name": "tetrabutyl silicate", - "smiles": "CCCCO[Si](OCCCC)(OCCCC)OCCCC", - "inchi": "InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3" - }, - "molarweight": 320.238, - "m": 8.72335, - "sigma": 3.83155, - "epsilon_k": 219.75001, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "628-32-0", - "name": "ethyl propyl ether", - "iupac_name": "1-ethoxypropane", - "smiles": "CCCOCC", - "inchi": "InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3" - }, - "molarweight": 88.089, - "m": 3.26608, - "sigma": 3.60144, - "epsilon_k": 226.16461, - "mu": 1.2, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-87-6", - "name": "2,2,2-trichloroacetaldehyde", - "iupac_name": "2,2,2-trichloroacetaldehyde", - "smiles": "O=CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" - }, - "molarweight": 145.909, - "m": 3.4748, - "sigma": 3.31851, - "epsilon_k": 245.55778, - "mu": 1.96, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "molarweight": 68.063, - "m": 2.56843, - "sigma": 3.66691, - "epsilon_k": 245.81166 - }, - { - "identifier": { - "cas": "573-98-8", - "name": "1,2-dimethyl naphthalene", - "iupac_name": "1,2-dimethylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1C", - "inchi": "InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3" - }, - "molarweight": 156.094, - "m": 4.2626, - "sigma": 3.71946, - "epsilon_k": 319.08892 - }, - { - "identifier": { - "cas": "625-82-1", - "name": "2,4-dimethylpyrrole", - "iupac_name": "2,4-dimethyl-1h-pyrrole", - "smiles": "Cc1c[nH]c(C)c1", - "inchi": "InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3" - }, - "molarweight": 95.073, - "m": 4.57531, - "sigma": 3.13061, - "epsilon_k": 255.59742 - }, - { - "identifier": { - "cas": "106-48-9", - "name": "p-chlorophenol", - "iupac_name": "4-chlorophenol", - "smiles": "Oc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H" - }, - "molarweight": 128.003, - "m": 4.02111, - "sigma": 3.28122, - "epsilon_k": 307.72879, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00131, - "epsilon_k_ab": 1954.29949 - } - ] - }, - { - "identifier": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "molarweight": 138.104, - "m": 3.53258, - "sigma": 3.91577, - "epsilon_k": 306.08567, - "mu": 4.02, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "7727-18-6", - "name": "vanadium oxytrichloride", - "iupac_name": "oxovanadium;trihydrochloride", - "smiles": "Cl.Cl.Cl.[O].[V]", - "inchi": "InChI=1S/3ClH.O.V/h3*1H;;" - }, - "molarweight": 173.872, - "m": 2.0354, - "sigma": 4.17481, - "epsilon_k": 361.33363 - }, - { - "identifier": { - "cas": "1589-47-5", - "name": "2-methoxy-1-propanol", - "iupac_name": "2-methoxypropan-1-ol", - "smiles": "COC(C)CO", - "inchi": "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" - }, - "molarweight": 90.068, - "m": 1.56677, - "sigma": 4.5, - "epsilon_k": 406.60448, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00064, - "epsilon_k_ab": 2213.11166 - } - ] - }, - { - "identifier": { - "cas": "13353-03-2", - "name": "trimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxy)methane", - "smiles": "COCOCOCOC", - "inchi": "InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3" - }, - "molarweight": 136.074, - "m": 4.45025, - "sigma": 3.41506, - "epsilon_k": 246.35208, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "2741-16-4", - "name": "isopropyl phenyl ether", - "iupac_name": "propan-2-yloxybenzene", - "smiles": "CC(C)Oc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "molarweight": 136.089, - "m": 4.21206, - "sigma": 3.60633, - "epsilon_k": 265.38824, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "3721-95-7", - "name": "cyclobutanecarboxylic acid", - "iupac_name": "cyclobutanecarboxylic acid", - "smiles": "O=C(O)C1CCC1", - "inchi": "InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)" - }, - "molarweight": 100.052, - "m": 2.59068, - "sigma": 3.79229, - "epsilon_k": 364.92074, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3742.27779 - } - ] - }, - { - "identifier": { - "cas": "629-33-4", - "name": "hexyl formate", - "iupac_name": "hexyl formate", - "smiles": "CCCCCCOC=O", - "inchi": "InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3" - }, - "molarweight": 130.099, - "m": 4.56086, - "sigma": 3.5112, - "epsilon_k": 241.13387, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "molarweight": 178.078, - "m": 3.53516, - "sigma": 4.06139, - "epsilon_k": 400.53252 - }, - { - "identifier": { - "cas": "594-27-4", - "name": "tetramethylstannane", - "iupac_name": "tetramethylstannane", - "smiles": "[CH3].[CH3].[CH3].[CH3].[Sn]", - "inchi": "InChI=1S/4CH3.Sn/h4*1H3;" - }, - "molarweight": 179.996, - "m": 3.02546, - "sigma": 3.89123, - "epsilon_k": 243.61374 - }, - { - "identifier": { - "cas": "1704-62-7", - "name": "2-(2-dimethylaminoethoxy) ethanol", - "iupac_name": "2-[2-(dimethylamino)ethoxy]ethanol", - "smiles": "CN(C)CCOCCO", - "inchi": "InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3" - }, - "molarweight": 133.11, - "m": 3.4613, - "sigma": 3.86302, - "epsilon_k": 273.67447, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.01691, - "epsilon_k_ab": 2065.41029 - } - ] - }, - { - "identifier": { - "cas": "4351-54-6", - "name": "cyclohexyl formate", - "iupac_name": "cyclohexyl formate", - "smiles": "O=COC1CCCCC1", - "inchi": "InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "molarweight": 128.084, - "m": 3.54693, - "sigma": 3.67959, - "epsilon_k": 283.4585, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "95-51-2", - "name": "o-chloroaniline", - "iupac_name": "2-chloroaniline", - "smiles": "Nc1ccccc1Cl", - "inchi": "InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2" - }, - "molarweight": 127.019, - "m": 3.40311, - "sigma": 3.54342, - "epsilon_k": 320.82138, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "7646-78-8", - "name": "tin tetrachloride", - "iupac_name": "tetrachlorostannane", - "smiles": "[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4]", - "inchi": "InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4" - }, - "molarweight": 259.778, - "m": 2.97298, - "sigma": 3.75769, - "epsilon_k": 277.72523 - }, - { - "identifier": { - "cas": "105-57-7", - "name": "1,1-diethoxyethane", - "iupac_name": "1,1-diethoxyethane", - "smiles": "CCOC(C)OCC", - "inchi": "InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3" - }, - "molarweight": 118.099, - "m": 3.89986, - "sigma": 3.61852, - "epsilon_k": 228.5141, - "mu": 1.38, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1112-39-6", - "name": "dimethyldimethoxysilane", - "iupac_name": "dimethoxy(dimethyl)silane", - "smiles": "CO[Si](C)(C)OC", - "inchi": "InChI=1S/C4H12O2Si/c1-5-7(3,4)6-2/h1-4H3" - }, - "molarweight": 120.061, - "m": 3.69521, - "sigma": 3.62922, - "epsilon_k": 221.1442, - "mu": 1.31, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "647-42-7", - "name": "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octanol", - "iupac_name": "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol", - "smiles": "OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2" - }, - "molarweight": 364.013, - "m": 3.3264, - "sigma": 4.5, - "epsilon_k": 259.40111, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00264, - "epsilon_k_ab": 3089.3345 - } - ] - }, - { - "identifier": { - "cas": "7782-41-4", - "name": "fluorine", - "iupac_name": "molecular fluorine", - "smiles": "FF", - "inchi": "InChI=1S/F2/c1-2" - }, - "molarweight": 37.997, - "m": 1.30208, - "sigma": 2.93343, - "epsilon_k": 99.77277, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 304.45243 - } - ] - }, - { - "identifier": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "molarweight": 122.037, - "m": 4.69617, - "sigma": 3.17729, - "epsilon_k": 289.91378, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03123, - "epsilon_k_ab": 2137.21733 - } - ] - }, - { - "identifier": { - "cas": "67-47-0", - "name": "5-hydroxymethylfurfural", - "iupac_name": "5-(hydroxymethyl)furan-2-carbaldehyde", - "smiles": "O=Cc1ccc(CO)o1", - "inchi": "InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2" - }, - "molarweight": 126.032, - "m": 1.6816, - "sigma": 4.5, - "epsilon_k": 426.61839, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.00013, - "epsilon_k_ab": 5000.0 - } - ] - }, - { - "identifier": { - "cas": "13463-40-6", - "name": "iron pentacarbonyl", - "iupac_name": "carbon monoxide; iron", - "smiles": "[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]", - "inchi": "InChI=1S/5CO.Fe/c5*1-2;" - }, - "molarweight": 195.91, - "m": 4.07096, - "sigma": 3.49246, - "epsilon_k": 226.32966 - }, - { - "identifier": { - "cas": "626-95-9", - "name": "1,4-pentanediol", - "iupac_name": "pentane-1,4-diol", - "smiles": "CC(O)CCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3" - }, - "molarweight": 104.084, - "m": 5.30245, - "sigma": 3.07632, - "epsilon_k": 264.16927, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3564.96523 - } - ] - }, - { - "identifier": { - "cas": "540-97-6", - "name": "dodecamethylcyclohexasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3" - }, - "molarweight": 444.113, - "m": 9.1684, - "sigma": 4.03433, - "epsilon_k": 197.7153, - "mu": 1.56, - "association_sites": [ - { - "nb": 6.0 - } - ] - }, - { - "identifier": { - "cas": "1746-13-0", - "name": "allyl phenyl ether", - "iupac_name": "prop-2-enoxybenzene", - "smiles": "C=CCOc1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2" - }, - "molarweight": 134.073, - "m": 4.14113, - "sigma": 3.57248, - "epsilon_k": 278.08668, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "6765-39-5", - "name": "1-heptadecene", - "iupac_name": "heptadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3" - }, - "molarweight": 238.266, - "m": 7.12672, - "sigma": 3.89934, - "epsilon_k": 252.3126 - }, - { - "identifier": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "molarweight": 150.089, - "m": 2.30566, - "sigma": 4.5, - "epsilon_k": 387.95704, - "association_sites": [ - { - "na": 2.0, - "nb": 4.0, - "kappa_ab": 0.00889, - "epsilon_k_ab": 2011.71578 - } - ] - }, - { - "identifier": { - "cas": "496-11-7", - "name": "indane ", - "iupac_name": "2,3-dihydro-1h-indene", - "smiles": "c1ccc2c(c1)CCC2", - "inchi": "InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2" - }, - "molarweight": 118.078, - "m": 3.45922, - "sigma": 3.66481, - "epsilon_k": 299.08758 - }, - { - "identifier": { - "cas": "1184-58-3", - "name": "dimethylaluminum chloride", - "iupac_name": "chloro(dimethyl)alumane", - "smiles": "[Al+].[CH3].[CH3].[Cl-]", - "inchi": "InChI=1S/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1" - }, - "molarweight": 91.997, - "m": 4.24059, - "sigma": 3.05769, - "epsilon_k": 235.98067, - "mu": 1.63 - }, - { - "identifier": { - "cas": "7440-37-1", - "name": "argon", - "iupac_name": "argon", - "smiles": "[Ar]", - "inchi": "InChI=1S/Ar" - }, - "molarweight": 39.962, - "m": 1.0, - "sigma": 3.37751, - "epsilon_k": 117.80903 - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "molarweight": 72.094, - "m": 2.74869, - "sigma": 3.72936, - "epsilon_k": 228.73279 - }, - { - "identifier": { - "cas": "3497-00-5", - "name": "dichlorophenylphosphine sulfide", - "iupac_name": "dichloro-phenyl-sulfanylidene-lambda5-phosphane", - "smiles": "S=P(Cl)(Cl)c1ccccc1", - "inchi": "InChI=1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 209.923, - "m": 9.36117, - "sigma": 2.78198, - "epsilon_k": 214.32883, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "354-23-4", - "name": "1,2-dichloro-1,2,2-trifluoroethane [r123a]", - "iupac_name": "1,2-dichloro-1,1,2-trifluoroethane", - "smiles": "FC(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H" - }, - "molarweight": 151.941, - "m": 2.96894, - "sigma": 3.48601, - "epsilon_k": 216.07352, - "mu": 1.302 - }, - { - "identifier": { - "cas": "557-00-6", - "name": "propyl isovalerate", - "iupac_name": "propyl 3-methylbutanoate", - "smiles": "CCCOC(=O)CC(C)C", - "inchi": "InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3" - }, - "molarweight": 144.115, - "m": 4.61344, - "sigma": 3.63893, - "epsilon_k": 238.20116, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "molarweight": 136.125, - "m": 3.75975, - "sigma": 3.89614, - "epsilon_k": 277.94801 - }, - { - "identifier": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" - }, - "molarweight": 100.125, - "m": 3.30335, - "sigma": 3.86513, - "epsilon_k": 239.35097 - }, - { - "identifier": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "molarweight": 116.084, - "m": 4.05326, - "sigma": 3.50442, - "epsilon_k": 239.65009, - "mu": 1.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2040-96-2", - "name": "propylcyclopentane", - "iupac_name": "propylcyclopentane", - "smiles": "CCCC1CCCC1", - "inchi": "InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3" - }, - "molarweight": 112.125, - "m": 3.27518, - "sigma": 3.8972, - "epsilon_k": 270.00464 - }, - { - "identifier": { - "cas": "4265-25-2", - "name": "2-methylbenzofuran", - "iupac_name": "2-methyl-1-benzofuran", - "smiles": "Cc1cc2ccccc2o1", - "inchi": "InChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3" - }, - "molarweight": 132.058, - "m": 4.11663, - "sigma": 3.48316, - "epsilon_k": 283.51364, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "6163-64-0", - "name": "methyl-tert-butylthioether", - "iupac_name": "2-methyl-2-methylsulfanylpropane", - "smiles": "CSC(C)(C)C", - "inchi": "InChI=1S/C5H12S/c1-5(2,3)6-4/h1-4H3" - }, - "molarweight": 104.066, - "m": 2.77365, - "sigma": 3.92011, - "epsilon_k": 273.84587, - "mu": 1.56, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "460-19-5", - "name": "cyanogen", - "iupac_name": "oxalonitrile", - "smiles": "N#CC#N", - "inchi": "InChI=1S/C2N2/c3-1-2-4" - }, - "molarweight": 52.006, - "m": 2.89306, - "sigma": 2.85606, - "epsilon_k": 191.09911, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2306-88-9", - "name": "octanoic acid octyl ester", - "iupac_name": "octyl octanoate", - "smiles": "CCCCCCCCOC(=O)CCCCCCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "molarweight": 256.24, - "m": 8.51851, - "sigma": 3.61554, - "epsilon_k": 236.49909, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "29072-93-3", - "name": "1,1-dimethyl-1-propoxy ethane", - "iupac_name": "2-methyl-2-propoxypropane", - "smiles": "CCCOC(C)(C)C", - "inchi": "InChI=1S/C7H16O/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3" - }, - "molarweight": 116.12, - "m": 3.68606, - "sigma": 3.77901, - "epsilon_k": 229.97117, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "molarweight": 89.084, - "m": 1.6332, - "sigma": 4.5, - "epsilon_k": 368.69906, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00422, - "epsilon_k_ab": 2042.55721 - } - ] - }, - { - "identifier": { - "cas": "1067-53-4", - "name": "tris(methoxyethoxy)vinylsilane", - "iupac_name": "ethenyl-tris(2-methoxyethoxy)silane", - "smiles": "C=C[Si](OCCOC)(OCCOC)OCCOC", - "inchi": "InChI=1S/C11H24O6Si/c1-5-18(15-9-6-12-2,16-10-7-13-3)17-11-8-14-4/h5H,1,6-11H2,2-4H3" - }, - "molarweight": 280.134, - "m": 7.814, - "sigma": 3.61399, - "epsilon_k": 234.69974, - "association_sites": [ - { - "nb": 6.0 - } - ] - }, - { - "identifier": { - "cas": "7782-44-7", - "name": "oxygen", - "iupac_name": "molecular oxygen", - "smiles": "O=O", - "inchi": "InChI=1S/O2/c1-2" - }, - "molarweight": 31.99, - "m": 1.14702, - "sigma": 3.17933, - "epsilon_k": 113.62724, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "91-23-6", - "name": "2-methoxynitrobenzene", - "iupac_name": "1-methoxy-2-nitrobenzene", - "smiles": "COc1ccccc1[N+](=O)[O-]", - "inchi": "InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3" - }, - "molarweight": 153.043, - "m": 10.40539, - "sigma": 2.51391, - "epsilon_k": 216.23416, - "mu": 4.83, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "molarweight": 107.073, - "m": 3.43167, - "sigma": 3.58615, - "epsilon_k": 277.28095, - "mu": 1.68, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "6920-22-5", - "name": "1,2-hexanediol", - "iupac_name": "hexane-1,2-diol", - "smiles": "CCCCC(O)CO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3" - }, - "molarweight": 118.099, - "m": 3.29109, - "sigma": 3.81743, - "epsilon_k": 260.60215, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0186, - "epsilon_k_ab": 2347.36976 - } - ] - }, - { - "identifier": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 104.084, - "m": 1.8659, - "sigma": 4.5, - "epsilon_k": 345.81026, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00651, - "epsilon_k_ab": 1946.49128 - } - ] - }, - { - "identifier": { - "cas": "95-15-8", - "name": "benzo(b)thiophene", - "iupac_name": "1-benzothiophene", - "smiles": "c1ccc2sccc2c1", - "inchi": "InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H" - }, - "molarweight": 134.019, - "m": 2.94649, - "sigma": 3.82447, - "epsilon_k": 363.07399, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "630-02-4", - "name": "octacosane", - "iupac_name": "octacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" - }, - "molarweight": 394.454, - "m": 11.85246, - "sigma": 3.88288, - "epsilon_k": 248.46039 - }, - { - "identifier": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "molarweight": 56.063, - "m": 2.39076, - "sigma": 3.55752, - "epsilon_k": 225.86263 - }, - { - "identifier": { - "cas": "103-11-7", - "name": "2-ethylhexyl acrylate", - "iupac_name": "2-ethylhexyl prop-2-enoate", - "smiles": "C=CC(=O)OCC(CC)CCCC", - "inchi": "InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3" - }, - "molarweight": 184.146, - "m": 4.56886, - "sigma": 3.98014, - "epsilon_k": 272.06264, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "17071-47-5", - "name": "butyl isobutyl ether", - "iupac_name": "1-(2-methylpropoxy)butane", - "smiles": "CCCCOCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "molarweight": 130.136, - "m": 3.78278, - "sigma": 3.9131, - "epsilon_k": 247.26123, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "10024-97-2", - "name": "dinitrogen monoxide", - "iupac_name": "nitrous oxide", - "smiles": "[N-]=[N+]=O", - "inchi": "InChI=1S/N2O/c1-2-3" - }, - "molarweight": 44.001, - "m": 2.14378, - "sigma": 2.76991, - "epsilon_k": 168.52257, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "25117-34-4", - "name": "5-methylhexadecane", - "iupac_name": "5-methylhexadecane", - "smiles": "CCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C17H36/c1-4-6-8-9-10-11-12-13-14-16-17(3)15-7-5-2/h17H,4-16H2,1-3H3" - }, - "molarweight": 240.282, - "m": 5.98105, - "sigma": 4.16851, - "epsilon_k": 269.29863 - }, - { - "identifier": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "molarweight": 62.019, - "m": 2.26319, - "sigma": 3.45771, - "epsilon_k": 265.28425, - "mu": 1.5, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "30673-36-0", - "name": "decanoic acid butyl ester", - "iupac_name": "butyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCCCC", - "inchi": "InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3" - }, - "molarweight": 228.209, - "m": 6.82014, - "sigma": 3.77288, - "epsilon_k": 248.81426, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "107-16-4", - "name": "hydroxy acetonitrile", - "iupac_name": "2-hydroxyacetonitrile", - "smiles": "N#CCO", - "inchi": "InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2" - }, - "molarweight": 57.021, - "m": 1.0, - "sigma": 4.1806, - "epsilon_k": 268.76807, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00288, - "epsilon_k_ab": 4833.4376 - } - ] - }, - { - "identifier": { - "cas": "338-75-0", - "name": "1,2-dichloro-3,3,3-trifluoropropane", - "iupac_name": "2,3-dichloro-1,1,1-trifluoropropane", - "smiles": "FC(F)(F)C(Cl)CCl", - "inchi": "InChI=1S/C3H3Cl2F3/c4-1-2(5)3(6,7)8/h2H,1H2" - }, - "molarweight": 165.956, - "m": 1.68755, - "sigma": 4.48583, - "epsilon_k": 341.32055 - }, - { - "identifier": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "molarweight": 74.037, - "m": 2.9603, - "sigma": 3.1356, - "epsilon_k": 261.25062, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "molarweight": 121.089, - "m": 3.86662, - "sigma": 3.60726, - "epsilon_k": 274.64949, - "mu": 2.04, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "102-09-0", - "name": "diphenyl carbonate", - "iupac_name": "diphenyl carbonate", - "smiles": "O=C(Oc1ccccc1)Oc1ccccc1", - "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 214.063, - "m": 5.99901, - "sigma": 3.51198, - "epsilon_k": 288.57293, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "105-59-9", - "name": "methyldiethanolamine (mdea)", - "iupac_name": "2-[2-hydroxyethyl(methyl)amino]ethanol", - "smiles": "CN(CCO)CCO", - "inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3" - }, - "molarweight": 119.095, - "m": 2.23789, - "sigma": 4.31149, - "epsilon_k": 355.96367, - "association_sites": [ - { - "na": 2.0, - "nb": 3.0, - "kappa_ab": 0.01103, - "epsilon_k_ab": 2001.90542 - } - ] - }, - { - "identifier": { - "cas": "105-05-5", - "name": "1,4-diethylbenzene", - "iupac_name": "1,4-diethylbenzene", - "smiles": "CCc1ccc(CC)cc1", - "inchi": "InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3" - }, - "molarweight": 134.11, - "m": 3.71522, - "sigma": 3.86705, - "epsilon_k": 285.90121 - }, - { - "identifier": { - "cas": "626-93-7", - "name": "2-hexanol", - "iupac_name": "hexan-2-ol", - "smiles": "CCCCC(C)O", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "m": 3.29456, - "sigma": 3.76233, - "epsilon_k": 257.5694, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00421, - "epsilon_k_ab": 2559.58388 - } - ] - }, - { - "identifier": { - "cas": "25117-24-2", - "name": "4-methyltetradecane", - "iupac_name": "4-methyltetradecane", - "smiles": "CCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-14-15(3)13-5-2/h15H,4-14H2,1-3H3" - }, - "molarweight": 212.25, - "m": 5.53274, - "sigma": 4.11005, - "epsilon_k": 265.64443 - }, - { - "identifier": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "molarweight": 59.073, - "m": 2.36556, - "sigma": 3.60913, - "epsilon_k": 225.80738, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "544-13-8", - "name": "glutaronitrile", - "iupac_name": "pentanedinitrile", - "smiles": "N#CCCCC#N", - "inchi": "InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2" - }, - "molarweight": 94.053, - "m": 2.88773, - "sigma": 3.68295, - "epsilon_k": 405.30914, - "mu": 3.9, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "molarweight": 114.141, - "m": 3.13984, - "sigma": 4.08786, - "epsilon_k": 249.78239 - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 86.11, - "m": 3.06506, - "sigma": 3.79083, - "epsilon_k": 236.46956 - }, - { - "identifier": { - "cas": "104-57-4", - "name": "benzyl formate", - "iupac_name": "benzyl formate", - "smiles": "O=COCc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2" - }, - "molarweight": 136.052, - "m": 3.90855, - "sigma": 3.55946, - "epsilon_k": 296.68471, - "mu": 1.84, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "molarweight": 120.025, - "m": 3.06974, - "sigma": 3.59202, - "epsilon_k": 375.45722, - "mu": 4.68, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "7783-29-1", - "name": "n-tetrasilane", - "iupac_name": "disilanyl-silylsilane", - "smiles": "[SiH3][SiH2][SiH2][SiH3]", - "inchi": "InChI=1S/H10Si4/c1-3-4-2/h3-4H2,1-2H3" - }, - "molarweight": 121.986, - "m": 3.21729, - "sigma": 3.97909, - "epsilon_k": 254.40912 - }, - { - "identifier": { - "cas": "26730-95-0", - "name": "5-methylheptadecane", - "iupac_name": "5-methylheptadecane", - "smiles": "CCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C18H38/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2/h18H,4-17H2,1-3H3" - }, - "molarweight": 254.297, - "m": 5.92793, - "sigma": 4.26315, - "epsilon_k": 276.56135 - }, - { - "identifier": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "molarweight": 142.078, - "m": 3.32063, - "sigma": 3.92788, - "epsilon_k": 350.47285 - }, - { - "identifier": { - "cas": "628-99-9", - "name": "2-nonanol", - "iupac_name": "nonan-2-ol", - "smiles": "CCCCCCCC(C)O", - "inchi": "InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3" - }, - "molarweight": 144.151, - "m": 4.45139, - "sigma": 3.80999, - "epsilon_k": 258.72501, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00297, - "epsilon_k_ab": 2649.9291 - } - ] - }, - { - "identifier": { - "cas": "583-53-9", - "name": "o-dibromobenzene", - "iupac_name": "1,2-dibromobenzene", - "smiles": "Brc1ccccc1Br", - "inchi": "InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "molarweight": 233.868, - "m": 3.41557, - "sigma": 3.66801, - "epsilon_k": 334.09398 - }, - { - "identifier": { - "cas": "98-87-3", - "name": "benzylidene chloride", - "iupac_name": "dichloromethylbenzene", - "smiles": "ClC(Cl)c1ccccc1", - "inchi": "InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H" - }, - "molarweight": 159.985, - "m": 3.52642, - "sigma": 3.70955, - "epsilon_k": 313.13603, - "mu": 2.03 - }, - { - "identifier": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "molarweight": 120.094, - "m": 3.5272, - "sigma": 3.78375, - "epsilon_k": 283.77403 - }, - { - "identifier": { - "cas": "109-78-4", - "name": "ethylene cyanohydrin", - "iupac_name": "3-hydroxypropanenitrile", - "smiles": "N#CCCO", - "inchi": "InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2" - }, - "molarweight": 71.037, - "m": 1.24348, - "sigma": 4.40997, - "epsilon_k": 550.0, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00275, - "epsilon_k_ab": 2642.77281 - } - ] - }, - { - "identifier": { - "cas": "585-07-9", - "name": "tert-butyl methacrylate", - "iupac_name": "tert-butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC(C)(C)C", - "inchi": "InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3" - }, - "molarweight": 142.099, - "m": 3.99873, - "sigma": 3.79106, - "epsilon_k": 242.92548, - "mu": 1.95, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1574-41-0", - "name": "cis-1,3-pentadiene", - "iupac_name": "(3z)-penta-1,3-diene", - "smiles": "C=C/C=C\\C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-" - }, - "molarweight": 68.063, - "m": 2.68462, - "sigma": 3.58773, - "epsilon_k": 241.67846 - }, - { - "identifier": { - "cas": "96-18-4", - "name": "1,2,3-trichloropropane", - "iupac_name": "1,2,3-trichloropropane", - "smiles": "ClCC(Cl)CCl", - "inchi": "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2" - }, - "molarweight": 145.946, - "m": 5.26632, - "sigma": 2.98675, - "epsilon_k": 232.43623, - "mu": 1.6 - }, - { - "identifier": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "molarweight": 86.073, - "m": 3.2175, - "sigma": 3.52097, - "epsilon_k": 245.29191, - "mu": 2.8, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "98-51-1", - "name": "p-tert-butyltoluene", - "iupac_name": "1-tert-butyl-4-methylbenzene", - "smiles": "Cc1ccc(C(C)(C)C)cc1", - "inchi": "InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3" - }, - "molarweight": 148.125, - "m": 3.84456, - "sigma": 3.95814, - "epsilon_k": 283.89577 - }, - { - "identifier": { - "cas": "1838-59-1", - "name": "allyl formate", - "iupac_name": "prop-2-enyl formate", - "smiles": "C=CCOC=O", - "inchi": "InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2" - }, - "molarweight": 86.037, - "m": 3.55826, - "sigma": 3.20944, - "epsilon_k": 235.35661, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2467-10-9", - "name": "1,1,1,5-tetrachloropentane", - "iupac_name": "1,1,1,5-tetrachloropentane", - "smiles": "ClCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2" - }, - "molarweight": 207.938, - "m": 8.80429, - "sigma": 2.82506, - "epsilon_k": 198.11459 - }, - { - "identifier": { - "cas": "1071-81-4", - "name": "2,2,5,5-tetramethylhexane", - "iupac_name": "2,2,5,5-tetramethylhexane", - "smiles": "CC(C)(C)CCC(C)(C)C", - "inchi": "InChI=1S/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3" - }, - "molarweight": 142.172, - "m": 3.62094, - "sigma": 4.16831, - "epsilon_k": 252.17979 - }, - { - "identifier": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "molarweight": 63.962, - "m": 2.69291, - "sigma": 2.73194, - "epsilon_k": 203.03892, - "mu": 1.63, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2882-97-5", - "name": "2,3-dimethylpentadecane", - "iupac_name": "2,3-dimethylpentadecane", - "smiles": "CCCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C17H36/c1-5-6-7-8-9-10-11-12-13-14-15-17(4)16(2)3/h16-17H,5-15H2,1-4H3" - }, - "molarweight": 240.282, - "m": 6.05057, - "sigma": 4.14579, - "epsilon_k": 269.51654 - }, - { - "identifier": { - "cas": "88-72-2", - "name": "o-nitrotoluene", - "iupac_name": "1-methyl-2-nitrobenzene", - "smiles": "Cc1ccccc1[N+](=O)[O-]", - "inchi": "InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3" - }, - "molarweight": 137.048, - "m": 3.60889, - "sigma": 3.60217, - "epsilon_k": 313.55931, - "mu": 3.75, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "molarweight": 46.042, - "m": 2.2311, - "sigma": 3.27738, - "epsilon_k": 212.16575, - "mu": 1.3, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "molarweight": 59.073, - "m": 2.9366, - "sigma": 3.28956, - "epsilon_k": 236.80068, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1610.12005 - } - ] - }, - { - "identifier": { - "cas": "927-49-1", - "name": "6-undecanone", - "iupac_name": "undecan-6-one", - "smiles": "CCCCCC(=O)CCCCC", - "inchi": "InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 170.167, - "m": 5.55943, - "sigma": 3.70343, - "epsilon_k": 250.98159, - "mu": 2.67, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "molarweight": 72.058, - "m": 2.88452, - "sigma": 3.44627, - "epsilon_k": 240.63343, - "mu": 2.5, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "molarweight": 92.003, - "m": 3.1093, - "sigma": 3.24064, - "epsilon_k": 280.40042, - "mu": 1.8, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "422-56-0", - "name": "1,1-dichloro-2,2,3,3,3-pentafluoropropane r225ca", - "iupac_name": "3,3-dichloro-1,1,1,2,2-pentafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H" - }, - "molarweight": 201.938, - "m": 3.42455, - "sigma": 3.59595, - "epsilon_k": 210.6942 - }, - { - "identifier": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "molarweight": 153.961, - "m": 2.76582, - "sigma": 3.5012, - "epsilon_k": 170.66862 - }, - { - "identifier": { - "cas": "2027-17-0", - "name": "2-isopropylnaphthalene", - "iupac_name": "2-propan-2-ylnaphthalene", - "smiles": "CC(C)c1ccc2ccccc2c1", - "inchi": "InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3" - }, - "molarweight": 170.11, - "m": 4.28552, - "sigma": 3.87277, - "epsilon_k": 314.67125 - }, - { - "identifier": { - "cas": "7550-45-0", - "name": "titanium tetrachloride", - "iupac_name": "['titanium(+4) cation tetrachloride', 'tetrachlorotitanium']", - "smiles": "[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]", - "inchi": "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4" - }, - "molarweight": 187.823, - "m": 2.29333, - "sigma": 4.04045, - "epsilon_k": 344.74829 - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "molarweight": 102.104, - "m": 3.54758, - "sigma": 3.66507, - "epsilon_k": 258.93419, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00722, - "epsilon_k_ab": 2509.5721 - } - ] - }, - { - "identifier": { - "cas": "106-24-1", - "name": "trans-3,7-dimethyl-2,6-octadien-1-ol", - "iupac_name": "(2e)-3,7-dimethylocta-2,6-dien-1-ol", - "smiles": "CC(C)=CCC/C(C)=C/CO", - "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" - }, - "molarweight": 154.136, - "m": 2.9082, - "sigma": 4.47039, - "epsilon_k": 337.65555, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00116, - "epsilon_k_ab": 3326.92695 - } - ] - }, - { - "identifier": { - "cas": "1551-27-5", - "name": "2-propylthiophene", - "iupac_name": "2-propylthiophene", - "smiles": "CCCc1cccs1", - "inchi": "InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3" - }, - "molarweight": 126.05, - "m": 3.12578, - "sigma": 3.85762, - "epsilon_k": 301.65007, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "609-26-7", - "name": "2-methyl-3-ethyl-pentane", - "iupac_name": "3-ethyl-2-methylpentane", - "smiles": "CCC(CC)C(C)C", - "inchi": "InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 114.141, - "m": 3.3049, - "sigma": 3.98271, - "epsilon_k": 255.59118 - }, - { - "identifier": { - "cas": "91-17-8", - "name": "decalin ", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CCC2CCCCC2C1", - "inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" - }, - "molarweight": 138.141, - "m": 3.24274, - "sigma": 4.07794, - "epsilon_k": 312.42132 - }, - { - "identifier": { - "cas": "685-63-2", - "name": "perfluoro-1,3-butadiene", - "iupac_name": "1,1,2,3,4,4-hexafluorobuta-1,3-diene", - "smiles": "FC(F)=C(F)C(F)=C(F)F", - "inchi": "InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10" - }, - "molarweight": 161.99, - "m": 4.05667, - "sigma": 3.15239, - "epsilon_k": 167.30802 - }, - { - "identifier": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "molarweight": 130.099, - "m": 4.39541, - "sigma": 3.55938, - "epsilon_k": 237.13467, - "mu": 1.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "621-70-5", - "name": "hexanoic acid 1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(hexanoyloxy)propyl hexanoate", - "smiles": "CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC", - "inchi": "InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3" - }, - "molarweight": 386.267, - "m": 9.81644, - "sigma": 3.8214, - "epsilon_k": 246.04115, - "association_sites": [ - { - "nb": 6.0 - } - ] - }, - { - "identifier": { - "cas": "5454-79-5", - "name": "cis-3-methylcyclohexanol", - "iupac_name": "(1r,3s)-3-methylcyclohexan-1-ol", - "smiles": "C[C@H]1CCC[C@@H](O)C1", - "inchi": "InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1" - }, - "molarweight": 114.104, - "m": 3.4665, - "sigma": 3.6382, - "epsilon_k": 210.29606, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02251, - "epsilon_k_ab": 3482.05012 - } - ] - }, - { - "identifier": { - "cas": "10486-19-8", - "name": "1-tridecanal", - "iupac_name": "tridecanal", - "smiles": "CCCCCCCCCCCCC=O", - "inchi": "InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3" - }, - "molarweight": 198.198, - "m": 11.20352, - "sigma": 2.95402, - "epsilon_k": 197.98235, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1640-89-7", - "name": "ethylcyclopentane", - "iupac_name": "ethylcyclopentane", - "smiles": "CCC1CCCC1", - "inchi": "InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3" - }, - "molarweight": 98.11, - "m": 2.86894, - "sigma": 3.89812, - "epsilon_k": 272.52263 - }, - { - "identifier": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "molarweight": 115.063, - "m": 3.60347, - "sigma": 3.42605, - "epsilon_k": 336.6143, - "mu": 2.95, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "molarweight": 212.084, - "m": 5.48446, - "sigma": 3.68053, - "epsilon_k": 306.57237, - "mu": 2.44, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "molarweight": 88.089, - "m": 3.59032, - "sigma": 3.46552, - "epsilon_k": 245.26634, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01039, - "epsilon_k_ab": 2356.43743 - } - ] - }, - { - "identifier": { - "cas": "582-16-1", - "name": "2,7-dimethyl naphthalene", - "iupac_name": "2,7-dimethylnaphthalene", - "smiles": "Cc1ccc2ccc(C)cc2c1", - "inchi": "InChI=1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3" - }, - "molarweight": 156.094, - "m": 3.80482, - "sigma": 3.90418, - "epsilon_k": 334.42007 - }, - { - "identifier": { - "cas": "534-15-6", - "name": "1,1-dimethoxyethane", - "iupac_name": "1,1-dimethoxyethane", - "smiles": "COC(C)OC", - "inchi": "InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3" - }, - "molarweight": 90.068, - "m": 3.27833, - "sigma": 3.44454, - "epsilon_k": 228.67569, - "mu": 1.32, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "molarweight": 100.1, - "m": 1.78424, - "sigma": 4.5, - "epsilon_k": 365.11248, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00641, - "epsilon_k_ab": 1651.20884 - } - ] - }, - { - "identifier": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "molarweight": 249.763, - "m": 2.43366, - "sigma": 3.68471, - "epsilon_k": 351.32037, - "mu": 0.99 - }, - { - "identifier": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "molarweight": 124.052, - "m": 3.87582, - "sigma": 3.43228, - "epsilon_k": 289.66653, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 229.79318 - } - ] - }, - { - "identifier": { - "cas": "622-96-8", - "name": "1-ethyl-4-methylbenzene", - "iupac_name": "1-ethyl-4-methylbenzene", - "smiles": "CCc1ccc(C)cc1", - "inchi": "InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3" - }, - "molarweight": 120.094, - "m": 3.34689, - "sigma": 3.8537, - "epsilon_k": 289.79408 - }, - { - "identifier": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "molarweight": 131.93, - "m": 2.94212, - "sigma": 3.48388, - "epsilon_k": 283.73694, - "mu": 1.7 - }, - { - "identifier": { - "cas": "591-50-4", - "name": "iodobenzene", - "iupac_name": "iodobenzene", - "smiles": "Ic1ccccc1", - "inchi": "InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 203.944, - "m": 2.74283, - "sigma": 3.87096, - "epsilon_k": 350.99533, - "mu": 1.7 - }, - { - "identifier": { - "cas": "105-99-7", - "name": "dibutyl adipate", - "iupac_name": "dibutyl hexanedioate", - "smiles": "CCCCOC(=O)CCCCC(=O)OCCCC", - "inchi": "InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 258.183, - "m": 7.60694, - "sigma": 3.66819, - "epsilon_k": 251.04872, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "2315-68-6", - "name": "propyl benzoate", - "iupac_name": "propyl benzoate", - "smiles": "CCCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3" - }, - "molarweight": 164.084, - "m": 4.97471, - "sigma": 3.55285, - "epsilon_k": 272.57924, - "mu": 1.83, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "591-24-2", - "name": "3-methylcyclohexanone", - "iupac_name": "3-methylcyclohexan-1-one", - "smiles": "CC1CCCC(=O)C1", - "inchi": "InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3" - }, - "molarweight": 112.089, - "m": 3.19979, - "sigma": 3.75821, - "epsilon_k": 305.98719, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "6291-85-6", - "name": "3-ethyloxy-propylamine", - "iupac_name": "3-ethoxypropan-1-amine", - "smiles": "CCOCCCN", - "inchi": "InChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3" - }, - "molarweight": 103.1, - "m": 1.91803, - "sigma": 4.29639, - "epsilon_k": 177.66214, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.01182, - "epsilon_k_ab": 3321.34888 - } - ] - }, - { - "identifier": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "molarweight": 134.015, - "m": 3.73837, - "sigma": 3.13295, - "epsilon_k": 181.33833, - "mu": 1.56 - }, - { - "identifier": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "molarweight": 118.099, - "m": 4.89214, - "sigma": 3.3106, - "epsilon_k": 245.3596, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2099.19184 - } - ] - }, - { - "identifier": { - "cas": "5528-43-8", - "name": "(z)-1,2,3,3,3-pentafluoropropene", - "iupac_name": "(z)-1,2,3,3,3-pentafluoroprop-1-ene", - "smiles": "F/C=C(\\F)C(F)(F)F", - "inchi": "InChI=1S/C3HF5/c4-1-2(5)3(6,7)8/h1H/b2-1-" - }, - "molarweight": 132.0, - "m": 3.30351, - "sigma": 3.22025, - "epsilon_k": 170.31726 - }, - { - "identifier": { - "cas": "95-20-5", - "name": "2-methylindole", - "iupac_name": "2-methyl-1h-indole", - "smiles": "Cc1cc2ccccc2[nH]1", - "inchi": "InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3" - }, - "molarweight": 131.073, - "m": 4.50742, - "sigma": 3.39584, - "epsilon_k": 318.98236, - "mu": 2.49 - }, - { - "identifier": { - "cas": "149-57-5", - "name": "2-ethyl hexanoic acid", - "iupac_name": "2-ethylhexanoic acid", - "smiles": "CCCCC(CC)C(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" - }, - "molarweight": 144.115, - "m": 3.39219, - "sigma": 4.06553, - "epsilon_k": 274.86869, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00982, - "epsilon_k_ab": 3471.59121 - } - ] - }, - { - "identifier": { - "cas": "79-92-5", - "name": "2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane", - "iupac_name": "2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane", - "smiles": "C=C1C2CCC(C2)C1(C)C", - "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "molarweight": 136.125, - "m": 3.13504, - "sigma": 4.083, - "epsilon_k": 295.51029 - }, - { - "identifier": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "molarweight": 165.891, - "m": 3.24445, - "sigma": 3.53114, - "epsilon_k": 290.76515, - "mu": 1.32 - }, - { - "identifier": { - "cas": "420-12-2", - "name": "ethylene sulfide [thiirane]", - "iupac_name": "thiirane", - "smiles": "C1CS1", - "inchi": "InChI=1S/C2H4S/c1-2-3-1/h1-2H2" - }, - "molarweight": 60.003, - "m": 1.96264, - "sigma": 3.4327, - "epsilon_k": 305.58153, - "mu": 1.85, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "molarweight": 214.193, - "m": 6.62736, - "sigma": 3.72213, - "epsilon_k": 248.81581, - "mu": 1.7, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "590-35-2", - "name": "2,2-dimethylpentane", - "iupac_name": "2,2-dimethylpentane", - "smiles": "CCCC(C)(C)C", - "inchi": "InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3" - }, - "molarweight": 100.125, - "m": 2.98758, - "sigma": 3.98975, - "epsilon_k": 244.73503 - }, - { - "identifier": { - "cas": "1126-79-0", - "name": "butoxybenzene", - "iupac_name": "butoxybenzene", - "smiles": "CCCCOc1ccccc1", - "inchi": "InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3" - }, - "molarweight": 150.104, - "m": 3.91765, - "sigma": 3.85567, - "epsilon_k": 294.61229, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "99-91-2", - "name": "1-(4-chlorophenyl)ethanone", - "iupac_name": "1-(4-chlorophenyl)ethanone", - "smiles": "CC(=O)c1ccc(Cl)cc1", - "inchi": "InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3" - }, - "molarweight": 154.019, - "m": 3.84416, - "sigma": 3.63325, - "epsilon_k": 321.73844, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "89-83-8", - "name": "thymol", - "iupac_name": "5-methyl-2-propan-2-ylphenol", - "smiles": "Cc1ccc(C(C)C)c(O)c1", - "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" - }, - "molarweight": 150.104, - "m": 2.85441, - "sigma": 4.32507, - "epsilon_k": 360.79953, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3840.06338 - } - ] - }, - { - "identifier": { - "cas": "1757-42-2", - "name": "3-methylcyclopentanone", - "iupac_name": "3-methylcyclopentan-1-one", - "smiles": "CC1CCC(=O)C1", - "inchi": "InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3" - }, - "molarweight": 98.073, - "m": 3.16271, - "sigma": 3.6008, - "epsilon_k": 282.17998, - "mu": 3.14, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "622-85-5", - "name": "phenyl propyl ether", - "iupac_name": "propoxybenzene", - "smiles": "CCCOc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3" - }, - "molarweight": 136.089, - "m": 3.56248, - "sigma": 3.82761, - "epsilon_k": 298.90725, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "111-77-3", - "name": "diethylene glycol monomethyl ether", - "iupac_name": "2-(2-methoxyethoxy)ethanol", - "smiles": "COCCOCCO", - "inchi": "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" - }, - "molarweight": 120.079, - "m": 2.18534, - "sigma": 4.30808, - "epsilon_k": 342.56292, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.00671, - "epsilon_k_ab": 2291.89925 - } - ] - }, - { - "identifier": { - "cas": "102-71-6", - "name": "triethanolamine (tea)", - "iupac_name": "2-[bis(2-hydroxyethyl)amino]ethanol", - "smiles": "OCCN(CCO)CCO", - "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" - }, - "molarweight": 149.105, - "m": 7.2131, - "sigma": 2.96742, - "epsilon_k": 189.5816, - "association_sites": [ - { - "na": 3.0, - "nb": 4.0, - "kappa_ab": 0.27436, - "epsilon_k_ab": 1719.88938 - } - ] - }, - { - "identifier": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 130.136, - "m": 3.93947, - "sigma": 3.8296, - "epsilon_k": 267.50639, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00207, - "epsilon_k_ab": 2761.61241 - } - ] - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "molarweight": 43.99, - "m": 2.53096, - "sigma": 2.57855, - "epsilon_k": 153.31864 - }, - { - "identifier": { - "cas": "590-36-3", - "name": "2-methyl-2-pentanol", - "iupac_name": "2-methylpentan-2-ol", - "smiles": "CCCC(C)(C)O", - "inchi": "InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3" - }, - "molarweight": 102.104, - "m": 2.14031, - "sigma": 4.36424, - "epsilon_k": 296.86234, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00201, - "epsilon_k_ab": 2806.99352 - } - ] - }, - { - "identifier": { - "cas": "513-08-6", - "name": "tripropyl phosphate", - "iupac_name": "tripropyl phosphate", - "smiles": "CCCOP(=O)(OCCC)OCCC", - "inchi": "InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3" - }, - "molarweight": 224.118, - "m": 6.7403, - "sigma": 3.55766, - "epsilon_k": 242.776, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "4923-91-5", - "name": "2,3-dimethylbenzo[b]thiophene", - "iupac_name": "2,3-dimethyl-1-benzothiophene", - "smiles": "Cc1sc2ccccc2c1C", - "inchi": "InChI=1S/C10H10S/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3" - }, - "molarweight": 162.05, - "m": 22.87606, - "sigma": 1.98599, - "epsilon_k": 146.42599, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "110-97-4", - "name": "diisopropanolamine (dipa)", - "iupac_name": "1-(2-hydroxypropylamino)propan-2-ol", - "smiles": "CC(O)CNCC(C)O", - "inchi": "InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3" - }, - "molarweight": 133.11, - "m": 5.52834, - "sigma": 3.2892, - "epsilon_k": 270.62013, - "association_sites": [ - { - "na": 3.0, - "nb": 3.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3117.26339 - } - ] - }, - { - "identifier": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "molarweight": 86.037, - "m": 2.8454, - "sigma": 3.38215, - "epsilon_k": 328.5109, - "mu": 4.11, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "111-29-5", - "name": "1,5-pentanediol", - "iupac_name": "pentane-1,5-diol", - "smiles": "OCCCCCO", - "inchi": "InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "molarweight": 104.084, - "m": 2.02917, - "sigma": 4.1024, - "epsilon_k": 94.05423, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.01576, - "epsilon_k_ab": 3816.80105 - } - ] - }, - { - "identifier": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "molarweight": 140.157, - "m": 4.42919, - "sigma": 3.86559, - "epsilon_k": 248.89256 - }, - { - "identifier": { - "cas": "781-17-9", - "name": "4,5,9,10-tetrahydropyrene", - "iupac_name": "4,5,9,10-tetrahydropyrene", - "smiles": "c1cc2c3c(c1)CCc1cccc(c1-3)CC2", - "inchi": "InChI=1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10H2" - }, - "molarweight": 206.11, - "m": 4.09051, - "sigma": 4.04108, - "epsilon_k": 378.12121 - }, - { - "identifier": { - "cas": "767-59-9", - "name": "1-methylindene", - "iupac_name": "1-methyl-1h-indene", - "smiles": "CC1C=Cc2ccccc21", - "inchi": "InChI=1S/C10H10/c1-8-6-7-9-4-2-3-5-10(8)9/h2-8H,1H3" - }, - "molarweight": 130.078, - "m": 4.74445, - "sigma": 3.3795, - "epsilon_k": 258.82554 - }, - { - "identifier": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "molarweight": 148.11, - "m": 4.77164, - "sigma": 3.57337, - "epsilon_k": 229.34675, - "mu": 1.7, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "molarweight": 108.058, - "m": 3.77576, - "sigma": 3.38936, - "epsilon_k": 294.84218, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00958, - "epsilon_k_ab": 1593.76577 - } - ] - }, - { - "identifier": { - "cas": "2437-56-1", - "name": "1-tridecene", - "iupac_name": "tridec-1-ene", - "smiles": "C=CCCCCCCCCCCC", - "inchi": "InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3" - }, - "molarweight": 182.203, - "m": 5.43015, - "sigma": 3.91593, - "epsilon_k": 254.54713 - }, - { - "identifier": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "molarweight": 100.052, - "m": 3.69342, - "sigma": 3.37024, - "epsilon_k": 242.14638, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "594-91-2", - "name": "perfluoro-2-methyl-butane", - "iupac_name": "1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)butane", - "smiles": "FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C5F12/c6-1(3(9,10)11,4(12,13)14)2(7,8)5(15,16)17" - }, - "molarweight": 287.981, - "m": 4.38356, - "sigma": 3.56051, - "epsilon_k": 168.85714 - }, - { - "identifier": { - "cas": "678-26-2", - "name": "perfluoropentane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17" - }, - "molarweight": 287.981, - "m": 4.29377, - "sigma": 3.62194, - "epsilon_k": 169.55361 - }, - { - "identifier": { - "cas": "99-86-5", - "name": ".alpha.-terpinene", - "iupac_name": "1-methyl-4-propan-2-ylcyclohexa-1,3-diene", - "smiles": "CC1=CC=C(C(C)C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3" - }, - "molarweight": 136.125, - "m": 3.39792, - "sigma": 4.0343, - "epsilon_k": 292.90539 - }, - { - "identifier": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "molarweight": 100.052, - "m": 2.14449, - "sigma": 4.07412, - "epsilon_k": 348.86452, - "mu": 3.0, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "123-73-9", - "name": "trans-crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "C/C=C/C=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" - }, - "molarweight": 70.042, - "m": 2.60416, - "sigma": 3.50343, - "epsilon_k": 261.91295, - "mu": 3.67, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "925-15-5", - "name": "dipropyl succinate", - "iupac_name": "dipropyl butanedioate", - "smiles": "CCCOC(=O)CCC(=O)OCCC", - "inchi": "InChI=1S/C10H18O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-8H2,1-2H3" - }, - "molarweight": 202.121, - "m": 6.07603, - "sigma": 3.57696, - "epsilon_k": 253.63156, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "112-52-7", - "name": "1-chlorododecane", - "iupac_name": "1-chlorododecane", - "smiles": "CCCCCCCCCCCCCl", - "inchi": "InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3" - }, - "molarweight": 204.164, - "m": 5.54101, - "sigma": 3.89905, - "epsilon_k": 268.55753 - }, - { - "identifier": { - "cas": "629-06-1", - "name": "1-chloroheptane", - "iupac_name": "1-chloroheptane", - "smiles": "CCCCCCCCl", - "inchi": "InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3" - }, - "molarweight": 134.086, - "m": 3.9387, - "sigma": 3.75201, - "epsilon_k": 262.20358 - }, - { - "identifier": { - "cas": "13463-39-3", - "name": "nickel tetracarbonyl", - "iupac_name": "carbon monoxide; nickel", - "smiles": "[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ni]", - "inchi": "InChI=1S/4CO.Ni/c4*1-2;" - }, - "molarweight": 169.915, - "m": 2.83128, - "sigma": 3.85294, - "epsilon_k": 228.27789 - }, - { - "identifier": { - "cas": "609-08-5", - "name": "diethyl methylmalonate", - "iupac_name": "diethyl 2-methylpropanedioate", - "smiles": "CCOC(=O)C(C)C(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3" - }, - "molarweight": 174.089, - "m": 5.90828, - "sigma": 3.38548, - "epsilon_k": 233.42432, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "20063-97-2", - "name": "trans-2-decene", - "iupac_name": "(e)-dec-2-ene", - "smiles": "C/C=C/CCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3+" - }, - "molarweight": 140.157, - "m": 4.51488, - "sigma": 3.81778, - "epsilon_k": 248.50777 - }, - { - "identifier": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "molarweight": 74.073, - "m": 3.26364, - "sigma": 3.38398, - "epsilon_k": 238.57137, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00677, - "epsilon_k_ab": 2370.71658 - } - ] - }, - { - "identifier": { - "cas": "544-35-4", - "name": "(z,z)-9,12-octadecadienoic acid ethyl ester", - "iupac_name": "ethyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-" - }, - "molarweight": 308.272, - "m": 7.18365, - "sigma": 4.11338, - "epsilon_k": 277.68382, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "molarweight": 136.125, - "m": 4.24638, - "sigma": 3.80054, - "epsilon_k": 256.83703 - }, - { - "identifier": { - "cas": "106-68-3", - "name": "3-octanone", - "iupac_name": "octan-3-one", - "smiles": "CCCCCC(=O)CC", - "inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3" - }, - "molarweight": 128.12, - "m": 4.24072, - "sigma": 3.67612, - "epsilon_k": 255.87651, - "mu": 2.44, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2884-06-2", - "name": "2,3-dimethylnonane", - "iupac_name": "2,3-dimethylnonane", - "smiles": "CCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C11H24/c1-5-6-7-8-9-11(4)10(2)3/h10-11H,5-9H2,1-4H3" - }, - "molarweight": 156.188, - "m": 4.01644, - "sigma": 4.1442, - "epsilon_k": 270.37498 - }, - { - "identifier": { - "cas": "1838-73-9", - "name": "3-methyl-4-heptanol", - "iupac_name": "3-methylheptan-4-ol", - "smiles": "CCCC(O)C(C)CC", - "inchi": "InChI=1S/C8H18O/c1-4-6-8(9)7(3)5-2/h7-9H,4-6H2,1-3H3" - }, - "molarweight": 130.136, - "m": 5.13816, - "sigma": 3.45699, - "epsilon_k": 212.23137, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 847.64403 - } - ] - }, - { - "identifier": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "molarweight": 66.028, - "m": 2.57721, - "sigma": 3.15564, - "epsilon_k": 180.47936, - "mu": 2.27 - }, - { - "identifier": { - "cas": "707-35-7", - "name": "1,3,5-trimethyladamantane", - "iupac_name": "1,3,5-trimethyladamantane", - "smiles": "CC12CC3CC(C)(C1)CC(C)(C3)C2", - "inchi": "InChI=1S/C13H22/c1-11-4-10-5-12(2,7-11)9-13(3,6-10)8-11/h10H,4-9H2,1-3H3" - }, - "molarweight": 178.172, - "m": 3.69849, - "sigma": 4.22674, - "epsilon_k": 296.24774 - }, - { - "identifier": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "molarweight": 98.11, - "m": 2.69647, - "sigma": 3.92413, - "epsilon_k": 296.18688 - }, - { - "identifier": { - "cas": "556-68-3", - "name": "hexadecamethylcyclooctasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadecane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C16H48O8Si8/c1-25(2)17-26(3,4)19-28(7,8)21-30(11,12)23-32(15,16)24-31(13,14)22-29(9,10)20-27(5,6)18-25/h1-16H3" - }, - "molarweight": 592.15, - "m": 11.46853, - "sigma": 4.11904, - "epsilon_k": 197.40106, - "association_sites": [ - { - "nb": 8.0 - } - ] - }, - { - "identifier": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "molarweight": 73.089, - "m": 3.45618, - "sigma": 3.33791, - "epsilon_k": 214.9587, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.81717, - "epsilon_k_ab": 494.86264 - } - ] - }, - { - "identifier": { - "cas": "88-06-2", - "name": "2,4,6-trichlorophenol", - "iupac_name": "2,4,6-trichlorophenol", - "smiles": "Oc1c(Cl)cc(Cl)cc1Cl", - "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" - }, - "molarweight": 195.925, - "m": 4.92858, - "sigma": 3.22041, - "epsilon_k": 190.47134, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 2887.21693 - } - ] - }, - { - "identifier": { - "cas": "540-63-6", - "name": "1,2-ethanedithiol", - "iupac_name": "ethane-1,2-dithiol", - "smiles": "SCCS", - "inchi": "InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2" - }, - "molarweight": 93.991, - "m": 1.37632, - "sigma": 4.5, - "epsilon_k": 466.00921, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0014, - "epsilon_k_ab": 1553.71284 - } - ] - }, - { - "identifier": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "molarweight": 110.037, - "m": 2.39189, - "sigma": 3.88105, - "epsilon_k": 386.93484, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.02401, - "epsilon_k_ab": 2003.18796 - } - ] - }, - { - "identifier": { - "cas": "120-82-1", - "name": "1,2,4-trichlorobenzene", - "iupac_name": "1,2,4-trichlorobenzene", - "smiles": "Clc1ccc(Cl)c(Cl)c1", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H" - }, - "molarweight": 179.93, - "m": 3.2833, - "sigma": 3.77251, - "epsilon_k": 333.7118, - "mu": 1.26 - }, - { - "identifier": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "molarweight": 185.902, - "m": 2.8049, - "sigma": 3.74996, - "epsilon_k": 234.58027 - }, - { - "identifier": { - "cas": "229-87-8", - "name": "phenanthridine", - "iupac_name": "phenanthridine", - "smiles": "c1ccc2c(c1)cnc1ccccc12", - "inchi": "InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H" - }, - "molarweight": 179.073, - "m": 3.81408, - "sigma": 3.90259, - "epsilon_k": 394.6459, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-74-1", - "name": "tetramethyllead", - "iupac_name": "tetramethylplumbane", - "smiles": "[CH3].[CH3].[CH3].[CH3].[Pb]", - "inchi": "InChI=1S/4CH3.Pb/h4*1H3;" - }, - "molarweight": 268.071, - "m": 3.06498, - "sigma": 3.87942, - "epsilon_k": 266.55267 - }, - { - "identifier": { - "cas": "335-36-4", - "name": "perfluoro-2-butyltetrahydrofuran", - "iupac_name": "2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6" - }, - "molarweight": 415.969, - "m": 5.36052, - "sigma": 3.77472, - "epsilon_k": 187.02867, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "29911-28-2", - "name": "dipropylene glycol butyl ether", - "iupac_name": "1-(1-butoxypropan-2-yloxy)propan-2-ol", - "smiles": "CCCCOCC(C)OCC(C)O", - "inchi": "InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3" - }, - "molarweight": 190.157, - "m": 3.46082, - "sigma": 4.41545, - "epsilon_k": 334.55764, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "molarweight": 150.01, - "m": 3.75141, - "sigma": 3.23913, - "epsilon_k": 189.09944, - "mu": 1.63, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "molarweight": 284.272, - "m": 8.55175, - "sigma": 3.77946, - "epsilon_k": 247.8225, - "mu": 1.78, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "molarweight": 107.073, - "m": 3.02158, - "sigma": 3.72713, - "epsilon_k": 339.13581, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00175, - "epsilon_k_ab": 2145.79575 - } - ] - }, - { - "identifier": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 88.089, - "m": 3.82473, - "sigma": 3.34379, - "epsilon_k": 208.16199, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02702, - "epsilon_k_ab": 2323.45962 - } - ] - }, - { - "identifier": { - "cas": "1732-09-8", - "name": "octanedioic acid dimethyl ester", - "iupac_name": "dimethyl octanedioate", - "smiles": "COC(=O)CCCCCCC(=O)OC", - "inchi": "InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3" - }, - "molarweight": 202.121, - "m": 5.83395, - "sigma": 3.61675, - "epsilon_k": 264.63153, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "16499-88-0", - "name": "3-n-butoxypropylamine", - "iupac_name": "3-butoxypropan-1-amine", - "smiles": "CCCCOCCCN", - "inchi": "InChI=1S/C7H17NO/c1-2-3-6-9-7-4-5-8/h2-8H2,1H3" - }, - "molarweight": 131.131, - "m": 2.47862, - "sigma": 4.5, - "epsilon_k": 337.55133, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00408, - "epsilon_k_ab": 1780.63533 - } - ] - }, - { - "identifier": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "smiles": "CCCCCCC(C)=O", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3" - }, - "molarweight": 128.12, - "m": 4.48576, - "sigma": 3.62189, - "epsilon_k": 251.31303, - "mu": 2.58, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "702-79-4", - "name": "1,3-dimethyl adamantane", - "iupac_name": "1,3-dimethyladamantane", - "smiles": "CC12CC3CC(C1)CC(C)(C3)C2", - "inchi": "InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3" - }, - "molarweight": 164.157, - "m": 3.02567, - "sigma": 4.38288, - "epsilon_k": 328.54846 - }, - { - "identifier": { - "cas": "88-73-3", - "name": "2-chloronitrobenzene", - "iupac_name": "1-chloro-2-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1Cl", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" - }, - "molarweight": 156.993, - "m": 3.34597, - "sigma": 3.68362, - "epsilon_k": 331.32289, - "mu": 4.64, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "molarweight": 88.052, - "m": 4.65594, - "sigma": 3.01643, - "epsilon_k": 244.64733, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00307, - "epsilon_k_ab": 2043.58731 - } - ] - }, - { - "identifier": { - "cas": "6881-94-3", - "name": "diethylene glycol monopropyl ether", - "iupac_name": "2-(2-propoxyethoxy)ethanol", - "smiles": "CCCOCCOCCO", - "inchi": "InChI=1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3" - }, - "molarweight": 148.11, - "m": 4.80323, - "sigma": 3.56298, - "epsilon_k": 259.85027, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.06588, - "epsilon_k_ab": 948.33873 - } - ] - }, - { - "identifier": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "molarweight": 57.021, - "m": 2.38707, - "sigma": 3.18418, - "epsilon_k": 231.12726, - "mu": 2.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "512-56-1", - "name": "trimethyl phosphate", - "iupac_name": "trimethyl phosphate", - "smiles": "COP(=O)(OC)OC", - "inchi": "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3" - }, - "molarweight": 140.024, - "m": 3.96389, - "sigma": 3.43838, - "epsilon_k": 285.01204, - "mu": 3.09, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "106-49-0", - "name": "p-methylaniline", - "iupac_name": "4-methylaniline", - "smiles": "Cc1ccc(N)cc1", - "inchi": "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3" - }, - "molarweight": 107.073, - "m": 3.69978, - "sigma": 3.56102, - "epsilon_k": 304.56551, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2913.62634 - } - ] - }, - { - "identifier": { - "cas": "111-36-4", - "name": "isocyanic acid butyl ester", - "iupac_name": "1-isocyanatobutane", - "smiles": "CCCCN=C=O", - "inchi": "InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3" - }, - "molarweight": 99.068, - "m": 4.62351, - "sigma": 3.14392, - "epsilon_k": 219.06805, - "mu": 2.52, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "109-02-4", - "name": "n-methylmorpholine", - "iupac_name": "4-methylmorpholine", - "smiles": "CN1CCOCC1", - "inchi": "InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3" - }, - "molarweight": 101.084, - "m": 3.08358, - "sigma": 3.63158, - "epsilon_k": 274.0252, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "108-59-8", - "name": "dimethyl malonate", - "iupac_name": "dimethyl propanedioate", - "smiles": "COC(=O)CC(=O)OC", - "inchi": "InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3" - }, - "molarweight": 132.042, - "m": 5.25377, - "sigma": 3.09373, - "epsilon_k": 245.34478, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "7785-26-4", - "name": "l-.alpha.-pinene", - "iupac_name": "(1s,5s)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CC[C@H]2C[C@@H]1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1" - }, - "molarweight": 136.125, - "m": 3.23289, - "sigma": 4.07515, - "epsilon_k": 287.47704 - }, - { - "identifier": { - "cas": "104-46-1", - "name": "(cis/trans)-anethole ", - "iupac_name": "1-methoxy-4-[(e)-prop-1-enyl]benzene", - "smiles": "CC=Cc1ccc(OC)cc1", - "inchi": "InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3" - }, - "molarweight": 148.089, - "m": 5.30861, - "sigma": 3.39528, - "epsilon_k": 268.06603, - "mu": 1.5, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "87-85-4", - "name": "hexamethylbenzene", - "iupac_name": "1,2,3,4,5,6-hexamethylbenzene", - "smiles": "Cc1c(C)c(C)c(C)c(C)c1C", - "inchi": "InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3" - }, - "molarweight": 162.141, - "m": 5.23956, - "sigma": 3.58873, - "epsilon_k": 285.16787 - }, - { - "identifier": { - "cas": "3001-72-7", - "name": "1,5-diazabicyclo[4.3.0]non-5-ene", - "iupac_name": "2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine", - "smiles": "C1CN=C2CCCN2C1", - "inchi": "InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2" - }, - "molarweight": 124.1, - "m": 4.76957, - "sigma": 3.27147, - "epsilon_k": 279.48445, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "112-73-2", - "name": "diethylene glycol dibutyl ether", - "iupac_name": "1-[2-(2-butoxyethoxy)ethoxy]butane", - "smiles": "CCCCOCCOCCOCCCC", - "inchi": "InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 218.188, - "m": 4.60277, - "sigma": 4.22311, - "epsilon_k": 288.04347, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "1809-10-5", - "name": "3-bromopentane", - "iupac_name": "3-bromopentane", - "smiles": "CCC(Br)CC", - "inchi": "InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3" - }, - "molarweight": 150.004, - "m": 2.73778, - "sigma": 3.93553, - "epsilon_k": 292.48992 - }, - { - "identifier": { - "cas": "90-02-8", - "name": "salicylaldehyde", - "iupac_name": "2-hydroxybenzaldehyde", - "smiles": "O=Cc1ccccc1O", - "inchi": "InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H" - }, - "molarweight": 122.037, - "m": 3.4103, - "sigma": 3.53668, - "epsilon_k": 294.63034, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 346.23775 - } - ] - }, - { - "identifier": { - "cas": "61868-03-9", - "name": "2,3-dimethylheptadecane", - "iupac_name": "2,3-dimethylheptadecane", - "smiles": "CCCCCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C19H40/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(4)18(2)3/h18-19H,5-17H2,1-4H3" - }, - "molarweight": 268.313, - "m": 6.57061, - "sigma": 4.18054, - "epsilon_k": 271.46348 - }, - { - "identifier": { - "cas": "14986-21-1", - "name": "hexachlorodisiloxane", - "iupac_name": "trichloro(trichlorosilyloxy)silane", - "smiles": "Cl[Si](Cl)(Cl)O[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl6OSi2/c1-8(2,3)7-9(4,5)6" - }, - "molarweight": 281.762, - "m": 4.49898, - "sigma": 3.73967, - "epsilon_k": 227.29342, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "molarweight": 106.078, - "m": 3.09708, - "sigma": 3.76975, - "epsilon_k": 293.05747 - }, - { - "identifier": { - "cas": "75-30-9", - "name": "2-iodopropane", - "iupac_name": "2-iodopropane", - "smiles": "CC(C)I", - "inchi": "InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3" - }, - "molarweight": 169.959, - "m": 2.24416, - "sigma": 3.91132, - "epsilon_k": 304.3131, - "mu": 1.95 - }, - { - "identifier": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "molarweight": 135.905, - "m": 2.2745, - "sigma": 3.68634, - "epsilon_k": 249.68309 - }, - { - "identifier": { - "cas": "350-46-9", - "name": "4-fluoronitrobenzene", - "iupac_name": "1-fluoro-4-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccc(F)cc1", - "inchi": "InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" - }, - "molarweight": 141.023, - "m": 3.28078, - "sigma": 3.59254, - "epsilon_k": 326.55734, - "mu": 2.87, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "6418-46-8", - "name": "3-methyleicosane", - "iupac_name": "3-methylicosane", - "smiles": "CCCCCCCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C21H44/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)5-2/h21H,4-20H2,1-3H3" - }, - "molarweight": 296.344, - "m": 9.64491, - "sigma": 3.77833, - "epsilon_k": 240.81636 - }, - { - "identifier": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "molarweight": 132.02, - "m": 4.89974, - "sigma": 2.86594, - "epsilon_k": 215.41158, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2339.47789 - } - ] - }, - { - "identifier": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "molarweight": 41.027, - "m": 2.32567, - "sigma": 3.16425, - "epsilon_k": 207.70403, - "mu": 3.92, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "363-72-4", - "name": "pentafluorobenzene", - "iupac_name": "1,2,3,4,5-pentafluorobenzene", - "smiles": "Fc1cc(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" - }, - "molarweight": 168.0, - "m": 3.58314, - "sigma": 3.41414, - "epsilon_k": 232.75197 - }, - { - "identifier": { - "cas": "822-50-4", - "name": "trans-1,2-dimethylcyclopentane", - "iupac_name": "(1r,2r)-1,2-dimethylcyclopentane", - "smiles": "C[C@H]1CCC[C@@H]1C", - "inchi": "InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/s2" - }, - "molarweight": 98.11, - "m": 2.84427, - "sigma": 3.91974, - "epsilon_k": 264.31241 - }, - { - "identifier": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "molarweight": 70.078, - "m": 2.47815, - "sigma": 3.80288, - "epsilon_k": 238.16333 - }, - { - "identifier": { - "cas": "76-02-8", - "name": "trichloroacetyl chloride", - "iupac_name": "2,2,2-trichloroacetyl chloride", - "smiles": "O=C(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2Cl4O/c3-1(7)2(4,5)6" - }, - "molarweight": 179.87, - "m": 2.89895, - "sigma": 3.72977, - "epsilon_k": 285.69623, - "mu": 1.2, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "79-43-6", - "name": "dichloroacetic acid", - "iupac_name": "2,2-dichloroacetic acid", - "smiles": "O=C(O)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" - }, - "molarweight": 127.943, - "m": 1.20065, - "sigma": 4.49299, - "epsilon_k": 210.30845, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00829, - "epsilon_k_ab": 4876.97257 - } - ] - }, - { - "identifier": { - "cas": "638-49-3", - "name": "amyl formate", - "iupac_name": "pentyl formate", - "smiles": "CCCCCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3" - }, - "molarweight": 116.084, - "m": 4.24093, - "sigma": 3.44788, - "epsilon_k": 237.7671, - "mu": 1.9, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "13171-18-1", - "name": "2-methoxy-1,1,1,3,3,3-hexafluoropropane [r356mmz]", - "iupac_name": "1,1,1,3,3,3-hexafluoro-2-methoxypropane", - "smiles": "COC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3" - }, - "molarweight": 182.017, - "m": 4.38722, - "sigma": 3.30307, - "epsilon_k": 185.45412, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "molarweight": 118.063, - "m": 1.86406, - "sigma": 4.5, - "epsilon_k": 386.08727, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.00057, - "epsilon_k_ab": 2232.62748 - } - ] - }, - { - "identifier": { - "cas": "7058-01-7", - "name": "sec-butylcyclohexane", - "iupac_name": "butan-2-ylcyclohexane", - "smiles": "CCC(C)C1CCCCC1", - "inchi": "InChI=1S/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3" - }, - "molarweight": 140.157, - "m": 3.56409, - "sigma": 4.0508, - "epsilon_k": 286.46953 - }, - { - "identifier": { - "cas": "565-67-3", - "name": "2-methyl-3-pentanol", - "iupac_name": "2-methylpentan-3-ol", - "smiles": "CCC(O)C(C)C", - "inchi": "InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3" - }, - "molarweight": 102.104, - "m": 3.96657, - "sigma": 3.48877, - "epsilon_k": 237.98826, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00225, - "epsilon_k_ab": 2287.79309 - } - ] - }, - { - "identifier": { - "cas": "140-10-3", - "name": "trans-cinnamic acid", - "iupac_name": "(e)-3-phenylprop-2-enoic acid", - "smiles": "O=C(O)/C=C/c1ccccc1", - "inchi": "InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+" - }, - "molarweight": 148.052, - "m": 2.79469, - "sigma": 4.05506, - "epsilon_k": 277.62777, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01328, - "epsilon_k_ab": 5000.0 - } - ] - }, - { - "identifier": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "molarweight": 119.935, - "m": 2.20725, - "sigma": 3.5654, - "epsilon_k": 206.85391 - }, - { - "identifier": { - "cas": "14940-65-9", - "name": "tritium oxide", - "smiles": "[3H]O[3H]", - "inchi": "InChI=1S/H2O/h1H2/i/hT2" - }, - "molarweight": 18.011, - "m": 2.63111, - "sigma": 1.99608, - "epsilon_k": 344.33359 - }, - { - "identifier": { - "cas": "124-22-1", - "name": "dodecylamine", - "iupac_name": "dodecan-1-amine", - "smiles": "CCCCCCCCCCCCN", - "inchi": "InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3" - }, - "molarweight": 185.214, - "m": 5.10023, - "sigma": 3.96178, - "epsilon_k": 214.70157, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.55636, - "epsilon_k_ab": 2347.72321 - } - ] - }, - { - "identifier": { - "cas": "706-31-0", - "name": "cis,trans,trans-1,5,9-cyclododecatriene", - "iupac_name": "cyclododeca-1,5,9-triene", - "smiles": "C1=C/CC/C=C/CC/C=C/CC/1", - "inchi": "InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7+,10-8+" - }, - "molarweight": 162.141, - "m": 2.87939, - "sigma": 4.5, - "epsilon_k": 365.86498 - }, - { - "identifier": { - "cas": "109-68-2", - "name": "2-pentene", - "iupac_name": "(e)-pent-2-ene", - "smiles": "CC=CCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3" - }, - "molarweight": 70.078, - "m": 2.4197, - "sigma": 3.81623, - "epsilon_k": 247.87781 - }, - { - "identifier": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "molarweight": 138.068, - "m": 4.29945, - "sigma": 3.45674, - "epsilon_k": 284.87164, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "402-67-5", - "name": "3-fluoronitrobenzene", - "iupac_name": "1-fluoro-3-nitrobenzene", - "smiles": "O=[N+]([O-])c1cccc(F)c1", - "inchi": "InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" - }, - "molarweight": 141.023, - "m": 3.28525, - "sigma": 3.57865, - "epsilon_k": 328.43506, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "925-78-0", - "name": "3-nonanone", - "iupac_name": "nonan-3-one", - "smiles": "CCCCCCC(=O)CC", - "inchi": "InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3" - }, - "molarweight": 142.136, - "m": 4.84869, - "sigma": 3.64319, - "epsilon_k": 250.16129, - "mu": 2.48, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "molarweight": 45.058, - "m": 2.79195, - "sigma": 3.08254, - "epsilon_k": 217.92545, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.04498, - "epsilon_k_ab": 622.42578 - } - ] - }, - { - "identifier": { - "cas": "111-88-6", - "name": "octylmercaptan", - "iupac_name": "octane-1-thiol", - "smiles": "CCCCCCCCS", - "inchi": "InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "molarweight": 146.113, - "m": 4.00689, - "sigma": 3.92772, - "epsilon_k": 280.05912, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00605, - "epsilon_k_ab": 1405.88447 - } - ] - }, - { - "identifier": { - "cas": "1002-84-2", - "name": "pentadecanoic acid", - "iupac_name": "pentadecanoic acid", - "smiles": "CCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)" - }, - "molarweight": 242.225, - "m": 6.6234, - "sigma": 3.92723, - "epsilon_k": 272.88887, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00635, - "epsilon_k_ab": 3328.43576 - } - ] - }, - { - "identifier": { - "cas": "13360-61-7", - "name": "1-pentadecene", - "iupac_name": "pentadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3" - }, - "molarweight": 210.235, - "m": 6.14256, - "sigma": 3.93828, - "epsilon_k": 256.27493 - }, - { - "identifier": { - "cas": "20816-12-0", - "name": "osmium tetroxide", - "iupac_name": "tetraoxoosmium", - "smiles": "[O-2].[O-2].[O-2].[O-2].[Os+8]", - "inchi": "InChI=1S/4O.Os/q4*-2;+8" - }, - "molarweight": 255.941, - "m": 2.1234, - "sigma": 3.38476, - "epsilon_k": 378.59057 - }, - { - "identifier": { - "cas": "629-08-3", - "name": "heptanenitrile", - "iupac_name": "heptanenitrile", - "smiles": "CCCCCCC#N", - "inchi": "InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3" - }, - "molarweight": 111.105, - "m": 3.77407, - "sigma": 3.69258, - "epsilon_k": 287.47985, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "26537-19-9", - "name": "methyl 4-tert-butylbenzoate", - "iupac_name": "methyl 4-tert-butylbenzoate", - "smiles": "COC(=O)c1ccc(C(C)(C)C)cc1", - "inchi": "InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3" - }, - "molarweight": 192.115, - "m": 5.70552, - "sigma": 3.60421, - "epsilon_k": 267.86591, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1186-53-4", - "name": "2,2,3,4-tetramethylpentane", - "iupac_name": "2,2,3,4-tetramethylpentane", - "smiles": "CC(C)C(C)C(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3" - }, - "molarweight": 128.157, - "m": 3.24524, - "sigma": 4.14986, - "epsilon_k": 267.96763 - }, - { - "identifier": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "molarweight": 178.121, - "m": 5.34681, - "sigma": 3.58701, - "epsilon_k": 256.86589, - "mu": 2.24, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "122-97-4", - "name": "3-phenyl-1-propanol", - "iupac_name": "3-phenylpropan-1-ol", - "smiles": "OCCCc1ccccc1", - "inchi": "InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2" - }, - "molarweight": 136.089, - "m": 4.50376, - "sigma": 3.52814, - "epsilon_k": 292.94532, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3704.69064 - } - ] - }, - { - "identifier": { - "cas": "3710-30-3", - "name": "1,7-octadiene", - "iupac_name": "octa-1,7-diene", - "smiles": "C=CCCCCC=C", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2" - }, - "molarweight": 110.11, - "m": 3.70129, - "sigma": 3.77256, - "epsilon_k": 242.86889 - }, - { - "identifier": { - "cas": "598-25-4", - "name": "dimethylallene", - "iupac_name": "3-methylbuta-1,2-diene", - "smiles": "C=C=C(C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3" - }, - "molarweight": 68.063, - "m": 2.68657, - "sigma": 3.59051, - "epsilon_k": 239.04875 - }, - { - "identifier": { - "cas": "75-36-5", - "name": "acetyl chloride", - "iupac_name": "acetyl chloride", - "smiles": "CC(=O)Cl", - "inchi": "InChI=1S/C2H3ClO/c1-2(3)4/h1H3" - }, - "molarweight": 77.987, - "m": 2.63246, - "sigma": 3.25647, - "epsilon_k": 236.53078, - "mu": 2.72, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "287-23-0", - "name": "cyclobutane", - "iupac_name": "cyclobutane", - "smiles": "C1CCC1", - "inchi": "InChI=1S/C4H8/c1-2-4-3-1/h1-4H2" - }, - "molarweight": 56.063, - "m": 2.03005, - "sigma": 3.66942, - "epsilon_k": 259.5457 - }, - { - "identifier": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "molarweight": 226.266, - "m": 6.90909, - "sigma": 3.87837, - "epsilon_k": 250.17195 - }, - { - "identifier": { - "cas": "156-87-6", - "name": "3-amino-1-propanol", - "iupac_name": "3-aminopropan-1-ol", - "smiles": "NCCCO", - "inchi": "InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2" - }, - "molarweight": 75.068, - "m": 2.75491, - "sigma": 3.21909, - "epsilon_k": 79.86866, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.03196, - "epsilon_k_ab": 3323.78041 - } - ] - }, - { - "identifier": { - "cas": "623-17-6", - "name": "acetic acid, furfuryl ester", - "iupac_name": "furan-2-ylmethyl acetate", - "smiles": "CC(=O)OCc1ccco1", - "inchi": "InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3" - }, - "molarweight": 140.047, - "m": 4.5227, - "sigma": 3.35553, - "epsilon_k": 262.35672, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "105-75-9", - "name": "dibutyl ester (e)-2-butenedioic acid", - "iupac_name": "dibutyl (e)-but-2-enedioate", - "smiles": "CCCCOC(=O)/C=C/C(=O)OCCCC", - "inchi": "InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+" - }, - "molarweight": 228.136, - "m": 6.19943, - "sigma": 3.74038, - "epsilon_k": 266.37276, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "molarweight": 136.125, - "m": 3.14563, - "sigma": 4.06407, - "epsilon_k": 314.30869 - }, - { - "identifier": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "molarweight": 136.125, - "m": 3.18936, - "sigma": 4.07828, - "epsilon_k": 296.99679 - }, - { - "identifier": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "molarweight": 90.068, - "m": 3.92348, - "sigma": 3.21912, - "epsilon_k": 257.75363, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.04893, - "epsilon_k_ab": 1568.382 - } - ] - }, - { - "identifier": { - "cas": "460-00-4", - "name": "p-fluorobromobenzene", - "iupac_name": "1-bromo-4-fluorobenzene", - "smiles": "Fc1ccc(Br)cc1", - "inchi": "InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H" - }, - "molarweight": 173.948, - "m": 2.89793, - "sigma": 3.7332, - "epsilon_k": 314.58899 - }, - { - "identifier": { - "cas": "104-85-8", - "name": "p-toluonitrile ", - "iupac_name": "4-methylbenzonitrile", - "smiles": "Cc1ccc(C#N)cc1", - "inchi": "InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3" - }, - "molarweight": 117.058, - "m": 3.48898, - "sigma": 3.64718, - "epsilon_k": 308.33025, - "mu": 4.4, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2051-30-1", - "name": "2,6-dimethyloctane", - "iupac_name": "2,6-dimethyloctane", - "smiles": "CCC(C)CCCC(C)C", - "inchi": "InChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3" - }, - "molarweight": 142.172, - "m": 4.25771, - "sigma": 3.93753, - "epsilon_k": 246.48391 - }, - { - "identifier": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "molarweight": 116.084, - "m": 4.16414, - "sigma": 3.46392, - "epsilon_k": 226.81852, - "mu": 1.86, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "629-40-3", - "name": "1,6-dicyanohexane", - "iupac_name": "octanedinitrile", - "smiles": "N#CCCCCCCC#N", - "inchi": "InChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2" - }, - "molarweight": 136.1, - "m": 4.11628, - "sigma": 3.74336, - "epsilon_k": 363.53128, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "3779-29-1", - "name": "diethyl ester 1,1-cyclobutanedicarboxylic acid", - "iupac_name": "diethyl cyclobutane-1,1-dicarboxylate", - "smiles": "CCOC(=O)C1(C(=O)OCC)CCC1", - "inchi": "InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3" - }, - "molarweight": 200.105, - "m": 5.93279, - "sigma": 3.5315, - "epsilon_k": 245.22991, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "106-38-7", - "name": "4-bromotoluene", - "iupac_name": "1-bromo-4-methylbenzene", - "smiles": "Cc1ccc(Br)cc1", - "inchi": "InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "molarweight": 169.973, - "m": 3.50937, - "sigma": 3.63632, - "epsilon_k": 300.53113, - "mu": 1.9 - }, - { - "identifier": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "molarweight": 117.115, - "m": 2.13996, - "sigma": 4.5, - "epsilon_k": 351.45698, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00317, - "epsilon_k_ab": 1954.28866 - } - ] - }, - { - "identifier": { - "cas": "463-49-0", - "name": "propadiene", - "iupac_name": "propa-1,2-diene", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "molarweight": 40.031, - "m": 1.97921, - "sigma": 3.36589, - "epsilon_k": 222.99172 - }, - { - "identifier": { - "cas": "150-76-5", - "name": "p-methoxyphenol", - "iupac_name": "4-methoxyphenol", - "smiles": "COc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3" - }, - "molarweight": 124.052, - "m": 1.88128, - "sigma": 4.5, - "epsilon_k": 436.7521, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00212, - "epsilon_k_ab": 3046.93194 - } - ] - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "molarweight": 74.073, - "m": 2.97883, - "sigma": 3.50108, - "epsilon_k": 219.43339, - "mu": 1.15, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "92-06-8", - "name": "m-terphenyl", - "iupac_name": "1,3-diphenylbenzene", - "smiles": "c1ccc(-c2cccc(-c3ccccc3)c2)cc1", - "inchi": "InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H" - }, - "molarweight": 230.11, - "m": 5.51325, - "sigma": 3.82612, - "epsilon_k": 333.12204 - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "molarweight": 116.12, - "m": 3.1954, - "sigma": 3.9887, - "epsilon_k": 282.2732, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00298, - "epsilon_k_ab": 2944.42231 - } - ] - }, - { - "identifier": { - "cas": "112-37-8", - "name": "undecanoic acid", - "iupac_name": "undecanoic acid", - "smiles": "CCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)" - }, - "molarweight": 186.162, - "m": 5.67792, - "sigma": 3.74657, - "epsilon_k": 261.49708, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01926, - "epsilon_k_ab": 2931.36764 - } - ] - }, - { - "identifier": { - "cas": "3852-09-3", - "name": "propionic acid,beta-methoxy,methyl ester", - "iupac_name": "methyl 3-methoxypropanoate", - "smiles": "COCCC(=O)OC", - "inchi": "InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3" - }, - "molarweight": 118.063, - "m": 4.53217, - "sigma": 3.25371, - "epsilon_k": 240.14143, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" - }, - "molarweight": 240.282, - "m": 7.42946, - "sigma": 3.87719, - "epsilon_k": 248.12528 - }, - { - "identifier": { - "cas": "122-62-3", - "name": "bis-(2-ethylhexyl)-sebacate", - "iupac_name": "bis(2-ethylhexyl) decanedioate", - "smiles": "CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC", - "inchi": "InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3" - }, - "molarweight": 426.371, - "m": 11.85073, - "sigma": 3.81642, - "epsilon_k": 245.22057, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "molarweight": 437.971, - "m": 5.67921, - "sigma": 3.76137, - "epsilon_k": 183.04033 - }, - { - "identifier": { - "cas": "380-43-8", - "name": "2-chloro-1,1,2-trifluoroethylpropyl ether", - "smiles": "CCCOC(F)(F)C(F)Cl", - "inchi": "InChI=1S/C5H8ClF3O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3" - }, - "molarweight": 176.022, - "m": 4.26222, - "sigma": 3.5261, - "epsilon_k": 222.45664, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "7443-55-2", - "name": "trans-3-methylcyclohexanol", - "iupac_name": "(1s,3s)-3-methylcyclohexan-1-ol", - "smiles": "C[C@H]1CCC[C@H](O)C1", - "inchi": "InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7-/m0/s1" - }, - "molarweight": 114.104, - "m": 2.02541, - "sigma": 4.5, - "epsilon_k": 382.535, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3697.22317 - } - ] - }, - { - "identifier": { - "cas": "106-47-8", - "name": "p-chloroaniline", - "iupac_name": "4-chloroaniline", - "smiles": "Nc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" - }, - "molarweight": 127.019, - "m": 2.25126, - "sigma": 4.09606, - "epsilon_k": 339.06486, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.10401, - "epsilon_k_ab": 2380.88581 - } - ] - }, - { - "identifier": { - "cas": "110-95-2", - "name": "n,n,n',n'-tetramethyl-1,3-diamino propane", - "iupac_name": "n,n,n',n'-tetramethylpropane-1,3-diamine", - "smiles": "CN(C)CCCN(C)C", - "inchi": "InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3" - }, - "molarweight": 130.147, - "m": 4.02618, - "sigma": 3.79989, - "epsilon_k": 247.5631, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "928-45-0", - "name": "n-butylnitrate", - "iupac_name": "butyl nitrate", - "smiles": "CCCCO[N+](=O)[O-]", - "inchi": "InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3" - }, - "molarweight": 119.058, - "m": 3.48351, - "sigma": 3.55917, - "epsilon_k": 269.72221, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "smiles": "c1ccc2[nH]ccc2c1", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "molarweight": 117.058, - "m": 3.7028, - "sigma": 3.46446, - "epsilon_k": 345.06845, - "mu": 2.08 - }, - { - "identifier": { - "cas": "106-31-0", - "name": "butyric anhydride", - "iupac_name": "butanoyl butanoate", - "smiles": "CCCC(=O)OC(=O)CCC", - "inchi": "InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 158.094, - "m": 5.13276, - "sigma": 3.51616, - "epsilon_k": 250.71016, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "molarweight": 84.094, - "m": 2.64252, - "sigma": 3.80097, - "epsilon_k": 263.53959 - }, - { - "identifier": { - "cas": "112-62-9", - "name": "methyl oleate", - "iupac_name": "methyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-" - }, - "molarweight": 296.272, - "m": 8.82621, - "sigma": 3.78155, - "epsilon_k": 249.5465, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2213-32-3", - "name": "2,4-dimethyl-1-pentene", - "iupac_name": "2,4-dimethylpent-1-ene", - "smiles": "C=C(C)CC(C)C", - "inchi": "InChI=1S/C7H14/c1-6(2)5-7(3)4/h7H,1,5H2,2-4H3" - }, - "molarweight": 98.11, - "m": 3.07038, - "sigma": 3.89844, - "epsilon_k": 243.85321 - }, - { - "identifier": { - "cas": "502-49-8", - "name": "cyclooctanone", - "iupac_name": "cyclooctanone", - "smiles": "O=C1CCCCCCC1", - "inchi": "InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2" - }, - "molarweight": 126.104, - "m": 2.90475, - "sigma": 4.02348, - "epsilon_k": 345.98015, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "4437-85-8", - "name": "1,2-butylenecarbonate", - "iupac_name": "4-ethyl-1,3-dioxolan-2-one", - "smiles": "CCC1COC(=O)O1", - "inchi": "InChI=1S/C5H8O3/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3" - }, - "molarweight": 116.047, - "m": 3.33303, - "sigma": 3.53941, - "epsilon_k": 365.23054, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "421-14-7", - "name": "trifluoromethoxymethane", - "iupac_name": "trifluoro(methoxy)methane", - "smiles": "COC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3" - }, - "molarweight": 100.014, - "m": 2.32026, - "sigma": 3.51614, - "epsilon_k": 203.20693, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" - }, - "molarweight": 242.261, - "m": 6.46632, - "sigma": 4.01514, - "epsilon_k": 274.31616, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00116, - "epsilon_k_ab": 3285.90929 - } - ] - }, - { - "identifier": { - "cas": "100-71-0", - "name": "2-ethylpyridine", - "iupac_name": "2-ethylpyridine", - "smiles": "CCc1ccccn1", - "inchi": "InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3" - }, - "molarweight": 107.073, - "m": 3.44995, - "sigma": 3.56645, - "epsilon_k": 280.89108, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "616-42-2", - "name": "dimethylester sulfurous acid", - "iupac_name": "dimethyl sulfite", - "smiles": "COS(=O)OC", - "inchi": "InChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3" - }, - "molarweight": 110.004, - "m": 3.5552, - "sigma": 3.25269, - "epsilon_k": 266.57358, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "96-11-7", - "name": "1,2,3-tribromopropane", - "iupac_name": "1,2,3-tribromopropane", - "smiles": "BrCC(Br)CBr", - "inchi": "InChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2" - }, - "molarweight": 277.794, - "m": 3.76035, - "sigma": 3.51173, - "epsilon_k": 316.86914 - }, - { - "identifier": { - "cas": "2883-02-5", - "name": "n-nonylcyclohexane", - "iupac_name": "nonylcyclohexane", - "smiles": "CCCCCCCCCC1CCCCC1", - "inchi": "InChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3" - }, - "molarweight": 210.235, - "m": 5.78398, - "sigma": 3.96491, - "epsilon_k": 269.56951 - }, - { - "identifier": { - "cas": "115-84-4", - "name": "2-butyl-2-ethyl-1,3-propanediol", - "iupac_name": "2-butyl-2-ethylpropane-1,3-diol", - "smiles": "CCCCC(CC)(CO)CO", - "inchi": "InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3" - }, - "molarweight": 160.146, - "m": 4.04372, - "sigma": 3.82803, - "epsilon_k": 157.96277, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.09207, - "epsilon_k_ab": 2913.72696 - } - ] - }, - { - "identifier": { - "cas": "354-51-8", - "name": "1,2-dibromo-1-chloro-1,2,2-trifluoroethane", - "iupac_name": "1,2-dibromo-1-chloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Br)C(F)(Cl)Br", - "inchi": "InChI=1S/C2Br2ClF3/c3-1(5,6)2(4,7)8" - }, - "molarweight": 273.801, - "m": 2.80746, - "sigma": 3.86073, - "epsilon_k": 268.8613 - }, - { - "identifier": { - "cas": "624-54-4", - "name": "amyl propioanate", - "iupac_name": "pentyl propanoate", - "smiles": "CCCCCOC(=O)CC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3" - }, - "molarweight": 144.115, - "m": 5.0311, - "sigma": 3.53421, - "epsilon_k": 234.61142, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "538-93-2", - "name": "isobutylbenzene", - "iupac_name": "2-methylpropylbenzene", - "smiles": "CC(C)Cc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" - }, - "molarweight": 134.11, - "m": 3.47499, - "sigma": 3.96166, - "epsilon_k": 288.24615 - }, - { - "identifier": { - "cas": "30673-60-0", - "name": "decanoic acid propyl ester", - "iupac_name": "propyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCCC", - "inchi": "InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3" - }, - "molarweight": 214.193, - "m": 6.31978, - "sigma": 3.78505, - "epsilon_k": 250.45298, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "molarweight": 58.042, - "m": 2.78618, - "sigma": 3.24884, - "epsilon_k": 231.11777, - "mu": 2.88, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "10028-15-6", - "name": "ozone", - "iupac_name": "ozone", - "smiles": "O=[O+][O-]", - "inchi": "InChI=1S/O3/c1-3-2" - }, - "molarweight": 47.985, - "m": 1.83787, - "sigma": 2.91244, - "epsilon_k": 159.46303, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "120-83-2", - "name": "2,4-dichlorophenol", - "iupac_name": "2,4-dichlorophenol", - "smiles": "Oc1ccc(Cl)cc1Cl", - "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" - }, - "molarweight": 161.964, - "m": 1.88812, - "sigma": 4.5, - "epsilon_k": 449.15265, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00815, - "epsilon_k_ab": 1784.02856 - } - ] - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine", - "iupac_name": "molecular chlorine", - "smiles": "ClCl", - "inchi": "InChI=1S/Cl2/c1-2" - }, - "molarweight": 69.938, - "m": 1.42512, - "sigma": 3.46815, - "epsilon_k": 278.31499, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00029, - "epsilon_k_ab": 968.73217 - } - ] - }, - { - "identifier": { - "cas": "2712-92-7", - "name": "trifluoromethyl)-phosphonous dibromide", - "iupac_name": "dibromo-(trifluoromethyl)phosphane", - "smiles": "FC(F)(F)P(Br)Br", - "inchi": "InChI=1S/CBr2F3P/c2-7(3)1(4,5)6" - }, - "molarweight": 257.806, - "m": 2.12889, - "sigma": 4.21141, - "epsilon_k": 312.94272 - }, - { - "identifier": { - "cas": "109-83-1", - "name": "n-methylethanolamine", - "iupac_name": "2-(methylamino)ethanol", - "smiles": "CNCCO", - "inchi": "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3" - }, - "molarweight": 75.068, - "m": 3.99492, - "sigma": 3.05032, - "epsilon_k": 235.72352, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.09324, - "epsilon_k_ab": 1204.45109 - } - ] - }, - { - "identifier": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "molarweight": 100.089, - "m": 3.6802, - "sigma": 3.541, - "epsilon_k": 252.67369, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1560-88-9", - "name": "2-methyloctadecane", - "iupac_name": "2-methyloctadecane", - "smiles": "CCCCCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3" - }, - "molarweight": 268.313, - "m": 7.73766, - "sigma": 3.95566, - "epsilon_k": 252.55501 - }, - { - "identifier": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "molarweight": 114.104, - "m": 3.68879, - "sigma": 3.70711, - "epsilon_k": 246.22157, - "mu": 2.73, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "molarweight": 149.99, - "m": 3.40869, - "sigma": 3.22719, - "epsilon_k": 159.26613 - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "molarweight": 78.047, - "m": 2.51627, - "sigma": 3.61064, - "epsilon_k": 284.11055 - }, - { - "identifier": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "molarweight": 102.068, - "m": 3.70164, - "sigma": 3.43596, - "epsilon_k": 240.20651, - "mu": 2.03, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "16219-75-3", - "name": "5-ethylidenebicyclo[2.2.1]hept-2-ene ", - "iupac_name": "5-ethylidenebicyclo[2.2.1]hept-2-ene", - "smiles": "CC=C1CC2C=CC1C2", - "inchi": "InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3" - }, - "molarweight": 120.094, - "m": 3.17637, - "sigma": 3.85927, - "epsilon_k": 288.76235 - }, - { - "identifier": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "molarweight": 132.079, - "m": 5.03484, - "sigma": 3.30378, - "epsilon_k": 231.75439, - "mu": 2.25, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "13952-84-6", - "name": "sec-butylamine", - "iupac_name": "butan-2-amine", - "smiles": "CCC(C)N", - "inchi": "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3" - }, - "molarweight": 73.089, - "m": 3.00348, - "sigma": 3.51309, - "epsilon_k": 239.36265, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00022, - "epsilon_k_ab": 1896.39111 - } - ] - }, - { - "identifier": { - "cas": "96-23-1", - "name": "1,3-dichloro-2-propanol", - "iupac_name": "1,3-dichloropropan-2-ol", - "smiles": "OC(CCl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2" - }, - "molarweight": 127.98, - "m": 1.56471, - "sigma": 4.5, - "epsilon_k": 445.81904, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00274, - "epsilon_k_ab": 2458.75846 - } - ] - }, - { - "identifier": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "molarweight": 40.031, - "m": 2.39289, - "sigma": 3.15096, - "epsilon_k": 208.71275, - "mu": 0.781 - }, - { - "identifier": { - "cas": "7791-25-5", - "name": "sulfuryl chloride", - "iupac_name": "sulfuryl dichloride", - "smiles": "O=S(=O)(Cl)Cl", - "inchi": "InChI=1S/Cl2O2S/c1-5(2,3)4" - }, - "molarweight": 133.9, - "m": 2.68666, - "sigma": 3.39456, - "epsilon_k": 263.61122, - "mu": 1.81, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "22331-09-5", - "name": "5-methyltricosane", - "iupac_name": "5-methyltricosane", - "smiles": "CCCCCCCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C24H50/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-7-5-2/h24H,4-23H2,1-3H3" - }, - "molarweight": 338.391, - "m": 10.04695, - "sigma": 3.89711, - "epsilon_k": 248.19868 - }, - { - "identifier": { - "cas": "89-78-1", - "name": "dl-(1r,2s,5r)-rel-5-methyl-2-(1-methylethyl)cyclohexanol", - "iupac_name": "5-methyl-2-propan-2-ylcyclohexan-1-ol", - "smiles": "CC(C)[C@H]1CC[C@H](C)C[C@@H]1O", - "inchi": "InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/s2" - }, - "molarweight": 156.151, - "m": 4.67462, - "sigma": 3.74069, - "epsilon_k": 272.65817, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3100.2174 - } - ] - }, - { - "identifier": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "molarweight": 165.985, - "m": 3.58411, - "sigma": 3.26746, - "epsilon_k": 155.0376, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "molarweight": 93.058, - "m": 3.03895, - "sigma": 3.51123, - "epsilon_k": 327.09609, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02373, - "epsilon_k_ab": 1288.02766 - } - ] - }, - { - "identifier": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "molarweight": 97.969, - "m": 2.59888, - "sigma": 3.45838, - "epsilon_k": 254.84244, - "mu": 2.06 - }, - { - "identifier": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "molarweight": 195.89, - "m": 3.07638, - "sigma": 3.48889, - "epsilon_k": 227.52797 - }, - { - "identifier": { - "cas": "3404-61-3", - "name": "3-methyl-1-hexene", - "iupac_name": "3-methylhex-1-ene", - "smiles": "C=CC(C)CCC", - "inchi": "InChI=1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3" - }, - "molarweight": 98.11, - "m": 2.84142, - "sigma": 4.01501, - "epsilon_k": 256.744 - }, - { - "identifier": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "molarweight": 86.073, - "m": 2.5957, - "sigma": 3.6803, - "epsilon_k": 281.77454, - "mu": 1.55, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "76-03-9", - "name": "trichloroacetic acid", - "iupac_name": "2,2,2-trichloroacetic acid", - "smiles": "O=C(O)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "molarweight": 161.904, - "m": 4.85809, - "sigma": 3.04254, - "epsilon_k": 260.56444, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03241, - "epsilon_k_ab": 1591.58225 - } - ] - }, - { - "identifier": { - "cas": "1445-79-0", - "name": "trimethylgallium", - "iupac_name": "trimethylgallane", - "smiles": "[CH3].[CH3].[CH3].[Ga]", - "inchi": "InChI=1S/3CH3.Ga/h3*1H3;" - }, - "molarweight": 113.996, - "m": 3.90204, - "sigma": 3.17662, - "epsilon_k": 204.59089 - }, - { - "identifier": { - "cas": "590-73-8", - "name": "2,2-dimethylhexane", - "iupac_name": "2,2-dimethylhexane", - "smiles": "CCCCC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3" - }, - "molarweight": 114.141, - "m": 3.38678, - "sigma": 3.98505, - "epsilon_k": 245.3169 - }, - { - "identifier": { - "cas": "14686-13-6", - "name": "trans-2-heptene", - "iupac_name": "(e)-hept-2-ene", - "smiles": "C/C=C/CCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+" - }, - "molarweight": 98.11, - "m": 3.28487, - "sigma": 3.81424, - "epsilon_k": 247.06565 - }, - { - "identifier": { - "cas": "688-71-1", - "name": "boric acid tripropyl ester", - "iupac_name": "tripropyl borate", - "smiles": "CCCOB(OCCC)OCCC", - "inchi": "InChI=1S/C9H21BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3" - }, - "molarweight": 188.158, - "m": 6.19312, - "sigma": 3.59695, - "epsilon_k": 214.17539, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "molarweight": 101.084, - "m": 3.50894, - "sigma": 3.542, - "epsilon_k": 299.54989, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "6117-99-3", - "name": "2,4-dimethyldodecane", - "iupac_name": "2,4-dimethyldodecane", - "smiles": "CCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C14H30/c1-5-6-7-8-9-10-11-14(4)12-13(2)3/h13-14H,5-12H2,1-4H3" - }, - "molarweight": 198.235, - "m": 5.68591, - "sigma": 3.9726, - "epsilon_k": 249.75954 - }, - { - "identifier": { - "cas": "106-46-7", - "name": "p-dichlorobenzene", - "iupac_name": "1,4-dichlorobenzene", - "smiles": "Clc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "molarweight": 145.969, - "m": 2.97762, - "sigma": 3.77419, - "epsilon_k": 324.26409 - }, - { - "identifier": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "molarweight": 74.073, - "m": 4.12251, - "sigma": 3.09942, - "epsilon_k": 203.64766, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00548, - "epsilon_k_ab": 2150.4402 - } - ] - }, - { - "identifier": { - "cas": "144-49-0", - "name": "fluoroacetic acid", - "iupac_name": "2-fluoroacetic acid", - "smiles": "O=C(O)CF", - "inchi": "InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "molarweight": 78.012, - "m": 1.0, - "sigma": 4.14954, - "epsilon_k": 172.60704, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01093, - "epsilon_k_ab": 4854.6917 - } - ] - }, - { - "identifier": { - "cas": "586-62-9", - "name": "terpinolene", - "iupac_name": "1-methyl-4-propan-2-ylidenecyclohexene", - "smiles": "CC1=CCC(=C(C)C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3" - }, - "molarweight": 136.125, - "m": 3.71735, - "sigma": 3.88495, - "epsilon_k": 288.83742 - }, - { - "identifier": { - "cas": "589-34-4", - "name": "3-methylhexane", - "iupac_name": "3-methylhexane", - "smiles": "CCCC(C)CC", - "inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3" - }, - "molarweight": 100.125, - "m": 3.23144, - "sigma": 3.87322, - "epsilon_k": 243.83414 - }, - { - "identifier": { - "cas": "112-59-4", - "name": "diethylene glycol n-hexyl ether", - "iupac_name": "2-(2-hexoxyethoxy)ethanol", - "smiles": "CCCCCCOCCOCCO", - "inchi": "InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3" - }, - "molarweight": 190.157, - "m": 2.91146, - "sigma": 4.5, - "epsilon_k": 189.48601, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.00288, - "epsilon_k_ab": 5000.0 - } - ] - }, - { - "identifier": { - "cas": "143-13-5", - "name": "acetic acid nonyl ester", - "iupac_name": "nonyl acetate", - "smiles": "CCCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3" - }, - "molarweight": 186.162, - "m": 6.75835, - "sigma": 3.49172, - "epsilon_k": 228.39092, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "molarweight": 174.089, - "m": 5.73177, - "sigma": 3.42322, - "epsilon_k": 247.11955, - "mu": 2.27842, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "141-10-6", - "name": "6,10-dimethyl-3,5,9-undecatrien-2-one", - "iupac_name": "(3e,5e)-6,10-dimethylundeca-3,5,9-trien-2-one", - "smiles": "CC(=O)C=CC=C(C)CCC=C(C)C", - "inchi": "InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3" - }, - "molarweight": 192.151, - "m": 6.95909, - "sigma": 3.49415, - "epsilon_k": 248.1318, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "100-68-5", - "name": "1-phenyl-1-thiaethane", - "iupac_name": "methylsulfanylbenzene", - "smiles": "CSc1ccccc1", - "inchi": "InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 124.035, - "m": 3.27107, - "sigma": 3.69717, - "epsilon_k": 321.82198, - "mu": 1.29, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "513-81-5", - "name": "1,3-butadiene, 2,3-dimethyl-", - "iupac_name": "2,3-dimethylbuta-1,3-diene", - "smiles": "C=C(C)C(=C)C", - "inchi": "InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3" - }, - "molarweight": 82.078, - "m": 2.66543, - "sigma": 3.79932, - "epsilon_k": 259.73716 - }, - { - "identifier": { - "cas": "502-42-1", - "name": "cycloheptanone", - "iupac_name": "cycloheptanone", - "smiles": "O=C1CCCCCC1", - "inchi": "InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2" - }, - "molarweight": 112.089, - "m": 3.0363, - "sigma": 3.7919, - "epsilon_k": 324.72609, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "molarweight": 74.037, - "m": 4.77223, - "sigma": 2.7633, - "epsilon_k": 241.54716, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.00605 - } - ] - }, - { - "identifier": { - "cas": "1190-76-7", - "name": "cis-crotonitrile", - "iupac_name": "(z)-but-2-enenitrile", - "smiles": "C/C=C\\C#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-" - }, - "molarweight": 67.042, - "m": 2.65978, - "sigma": 3.47419, - "epsilon_k": 248.61056, - "mu": 4.08, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "112-12-9", - "name": "2-undecanone", - "iupac_name": "undecan-2-one", - "smiles": "CCCCCCCCCC(C)=O", - "inchi": "InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3" - }, - "molarweight": 170.167, - "m": 5.46936, - "sigma": 3.73088, - "epsilon_k": 256.85187, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "625-69-4", - "name": "(+-)-2,4-pentanediol", - "iupac_name": "pentane-2,4-diol", - "smiles": "CC(O)CC(C)O", - "inchi": "InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3" - }, - "molarweight": 104.084, - "m": 1.8397, - "sigma": 4.5, - "epsilon_k": 358.83694, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.00357, - "epsilon_k_ab": 2504.70328 - } - ] - }, - { - "identifier": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "molarweight": 122.073, - "m": 2.53911, - "sigma": 4.12402, - "epsilon_k": 358.82328, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00852, - "epsilon_k_ab": 2561.71885 - } - ] - }, - { - "identifier": { - "cas": "5932-68-3", - "name": "trans-isoeugenol", - "iupac_name": "2-methoxy-4-[(e)-prop-1-enyl]phenol", - "smiles": "C/C=C/c1ccc(O)c(OC)c1", - "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+" - }, - "molarweight": 164.084, - "m": 2.50019, - "sigma": 4.5, - "epsilon_k": 380.25863, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00803, - "epsilon_k_ab": 2599.72402 - } - ] - }, - { - "identifier": { - "cas": "646-04-8", - "name": "trans-2-pentene", - "iupac_name": "(e)-pent-2-ene", - "smiles": "C/C=C/CC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+" - }, - "molarweight": 70.078, - "m": 2.68766, - "sigma": 3.6794, - "epsilon_k": 233.37839 - }, - { - "identifier": { - "cas": "688-74-4", - "name": "boric acid,tri-n-butylester", - "iupac_name": "tributyl borate", - "smiles": "CCCCOB(OCCCC)OCCCC", - "inchi": "InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3" - }, - "molarweight": 230.205, - "m": 6.08643, - "sigma": 3.91923, - "epsilon_k": 240.30495, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "molarweight": 102.104, - "m": 3.54969, - "sigma": 3.6858, - "epsilon_k": 216.5288, - "mu": 1.2, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "molarweight": 156.188, - "m": 4.91136, - "sigma": 3.82029, - "epsilon_k": 249.50624 - }, - { - "identifier": { - "cas": "616-47-7", - "name": "n-methylimidazole", - "iupac_name": "1-methylimidazole", - "smiles": "Cn1ccnc1", - "inchi": "InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3" - }, - "molarweight": 82.053, - "m": 2.89794, - "sigma": 3.40116, - "epsilon_k": 363.10222, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "6117-80-2", - "name": "cis-2-butene-1,4-diol", - "iupac_name": "(z)-but-2-ene-1,4-diol", - "smiles": "OC/C=C\\CO", - "inchi": "InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-" - }, - "molarweight": 88.052, - "m": 9.22413, - "sigma": 2.04262, - "epsilon_k": 76.2363, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.4871, - "epsilon_k_ab": 3298.97865 - } - ] - }, - { - "identifier": { - "cas": "102-67-0", - "name": "tripropylaluminum", - "iupac_name": "tripropylalumane", - "smiles": "[Al].[CH2]CC.[CH2]CC.[CH2]CC", - "inchi": "InChI=1S/3C3H7.Al/c3*1-3-2;/h3*1,3H2,2H3;" - }, - "molarweight": 156.146, - "m": 11.42858, - "sigma": 2.7397, - "epsilon_k": 177.41522 - }, - { - "identifier": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "molarweight": 62.037, - "m": 1.71084, - "sigma": 3.73481, - "epsilon_k": 354.18312, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.01627, - "epsilon_k_ab": 2120.07538 - } - ] - }, - { - "identifier": { - "cas": "112-36-7", - "name": "diethylene glycol diethyl ether", - "iupac_name": "1-ethoxy-2-(2-ethoxyethoxy)ethane", - "smiles": "CCOCCOCCOCC", - "inchi": "InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3" - }, - "molarweight": 162.126, - "m": 5.08219, - "sigma": 3.62404, - "epsilon_k": 244.66882, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "98-09-9", - "name": "benzenesulfonyl chloride", - "iupac_name": "benzenesulfonyl chloride", - "smiles": "O=S(=O)(Cl)c1ccccc1", - "inchi": "InChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 175.97, - "m": 4.12554, - "sigma": 3.54246, - "epsilon_k": 303.50079, - "mu": 4.53, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "molarweight": 44.026, - "m": 2.1985, - "sigma": 3.06558, - "epsilon_k": 241.37299, - "mu": 1.89, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "molarweight": 146.131, - "m": 2.7284, - "sigma": 4.5, - "epsilon_k": 277.64522, - "mu": 0.92, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "3021-89-4", - "name": "2-pentyl-2-nonenal", - "iupac_name": "2-pentylnon-2-enal", - "smiles": "CCCCCCC=C(C=O)CCCCC", - "inchi": "InChI=1S/C14H26O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12-13H,3-11H2,1-2H3" - }, - "molarweight": 210.198, - "m": 6.10799, - "sigma": 3.84204, - "epsilon_k": 264.85777, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2052-15-5", - "name": "levulinic acid n-butyl ester", - "iupac_name": "butyl 4-oxopentanoate", - "smiles": "CCCCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3" - }, - "molarweight": 172.11, - "m": 6.2412, - "sigma": 3.38379, - "epsilon_k": 244.56369, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "smiles": "CC(=N)O", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "molarweight": 59.037, - "m": 2.82648, - "sigma": 3.12045, - "epsilon_k": 377.67175, - "association_sites": [ - { - "na": 2.0, - "nb": 1.0, - "kappa_ab": 0.01458, - "epsilon_k_ab": 1624.88542 - } - ] - }, - { - "identifier": { - "cas": "1077-16-3", - "name": "hexylbenzene", - "iupac_name": "hexylbenzene", - "smiles": "CCCCCCc1ccccc1", - "inchi": "InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3" - }, - "molarweight": 162.141, - "m": 4.43662, - "sigma": 3.90101, - "epsilon_k": 282.00561 - }, - { - "identifier": { - "cas": "260-94-6", - "name": "acridine", - "iupac_name": "acridine", - "smiles": "c1ccc2nc3ccccc3cc2c1", - "inchi": "InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H" - }, - "molarweight": 179.073, - "m": 3.71205, - "sigma": 3.96411, - "epsilon_k": 395.67771, - "mu": 2.09, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1679-06-7", - "name": "2-hexyl mercaptan", - "iupac_name": "hexane-2-thiol", - "smiles": "CCCCC(C)S", - "inchi": "InChI=1S/C6H14S/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 118.082, - "m": 2.81312, - "sigma": 4.12304, - "epsilon_k": 293.20744, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01942, - "epsilon_k_ab": 1147.58996 - } - ] - }, - { - "identifier": { - "cas": "7789-60-8", - "name": "phosphorus tribromide", - "iupac_name": "tribromophosphane", - "smiles": "BrP(Br)Br", - "inchi": "InChI=1S/Br3P/c1-4(2)3" - }, - "molarweight": 267.729, - "m": 1.60557, - "sigma": 4.38212, - "epsilon_k": 475.67749 - }, - { - "identifier": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "molarweight": 162.09, - "m": 4.18557, - "sigma": 4.01414, - "epsilon_k": 210.72432, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-75-2", - "name": "methanesulfonic acid", - "iupac_name": "methanesulfonic acid", - "smiles": "CS(=O)(=O)O", - "inchi": "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)" - }, - "molarweight": 95.988, - "m": 1.93225, - "sigma": 3.76364, - "epsilon_k": 550.0, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00359, - "epsilon_k_ab": 2465.9137 - } - ] - }, - { - "identifier": { - "cas": "75-11-6", - "name": "diiodomethane", - "iupac_name": "diiodomethane", - "smiles": "ICI", - "inchi": "InChI=1S/CH2I2/c2-1-3/h1H2" - }, - "molarweight": 267.825, - "m": 2.45007, - "sigma": 3.6152, - "epsilon_k": 381.05637, - "mu": 1.22 - }, - { - "identifier": { - "cas": "560-21-4", - "name": "2,3,3-trimethylpentane", - "iupac_name": "2,3,3-trimethylpentane", - "smiles": "CCC(C)(C)C(C)C", - "inchi": "InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3" - }, - "molarweight": 114.141, - "m": 3.01529, - "sigma": 4.10282, - "epsilon_k": 267.9794 - }, - { - "identifier": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 118.099, - "m": 3.91607, - "sigma": 3.61252, - "epsilon_k": 252.7632, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.01399, - "epsilon_k_ab": 1321.38124 - } - ] - }, - { - "identifier": { - "cas": "17312-57-1", - "name": "3-methyldodecane", - "iupac_name": "3-methyldodecane", - "smiles": "CCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C13H28/c1-4-6-7-8-9-10-11-12-13(3)5-2/h13H,4-12H2,1-3H3" - }, - "molarweight": 184.219, - "m": 5.09082, - "sigma": 4.03664, - "epsilon_k": 261.16021 - }, - { - "identifier": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "molarweight": 82.078, - "m": 3.39085, - "sigma": 3.49637, - "epsilon_k": 238.34781 - }, - { - "identifier": { - "cas": "123-11-5", - "name": "p-anisaldehyde", - "iupac_name": "4-methoxybenzaldehyde", - "smiles": "COc1ccc(C=O)cc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3" - }, - "molarweight": 136.052, - "m": 4.06533, - "sigma": 3.49039, - "epsilon_k": 321.95773, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "molarweight": 56.063, - "m": 2.32053, - "sigma": 3.62326, - "epsilon_k": 226.55317 - }, - { - "identifier": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "molarweight": 111.985, - "m": 2.73596, - "sigma": 3.61252, - "epsilon_k": 298.81339, - "mu": 2.08 - }, - { - "identifier": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "molarweight": 104.084, - "m": 3.38498, - "sigma": 3.63042, - "epsilon_k": 238.28813, - "mu": 1.22016, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "molarweight": 256.24, - "m": 5.64924, - "sigma": 4.24137, - "epsilon_k": 295.39763, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00241, - "epsilon_k_ab": 3983.98057 - } - ] - }, - { - "identifier": { - "cas": "7564-63-8", - "name": "ortho-ethyl-styrene", - "iupac_name": "1-ethenyl-2-ethylbenzene", - "smiles": "C=Cc1ccccc1CC", - "inchi": "InChI=1S/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3" - }, - "molarweight": 132.094, - "m": 2.99003, - "sigma": 4.09472, - "epsilon_k": 329.13116 - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 170.203, - "m": 5.49496, - "sigma": 3.83291, - "epsilon_k": 244.83939 - }, - { - "identifier": { - "cas": "10049-04-4", - "name": "chlorine dioxide", - "smiles": "[O][Cl+][O-]", - "inchi": "InChI=1S/ClO2/c2-1-3" - }, - "molarweight": 66.959, - "m": 3.03738, - "sigma": 2.56467, - "epsilon_k": 205.01074, - "mu": 1.78, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "121-73-3", - "name": "3-chloronitrobenzene", - "iupac_name": "1-chloro-3-nitrobenzene", - "smiles": "O=[N+]([O-])c1cccc(Cl)c1", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" - }, - "molarweight": 156.993, - "m": 3.34881, - "sigma": 3.67014, - "epsilon_k": 337.47744, - "mu": 3.73, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "4259-00-1", - "name": "1,1,2-trimethylcyclopentane", - "iupac_name": "1,1,2-trimethylcyclopentane", - "smiles": "CC1CCCC1(C)C", - "inchi": "InChI=1S/C8H16/c1-7-5-4-6-8(7,2)3/h7H,4-6H2,1-3H3" - }, - "molarweight": 112.125, - "m": 2.87026, - "sigma": 4.07073, - "epsilon_k": 276.98549 - }, - { - "identifier": { - "cas": "770-69-4", - "name": "1-ethyltricyclo(3.3.1.1(3,7))decane", - "iupac_name": "1-ethyladamantane", - "smiles": "CCC12CC3CC(CC(C3)C1)C2", - "inchi": "InChI=1S/C12H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3" - }, - "molarweight": 164.157, - "m": 3.53707, - "sigma": 4.11573, - "epsilon_k": 314.71987 - }, - { - "identifier": { - "cas": "75-98-9", - "name": "pivalic acid", - "iupac_name": "2,2-dimethylpropanoic acid", - "smiles": "CC(C)(C)C(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)" - }, - "molarweight": 102.068, - "m": 5.93129, - "sigma": 2.92747, - "epsilon_k": 222.2911, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3165.41239 - } - ] - }, - { - "identifier": { - "cas": "123-96-6", - "name": "2-octanol", - "iupac_name": "octan-2-ol", - "smiles": "CCCCCCC(C)O", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 130.136, - "m": 3.52503, - "sigma": 4.002, - "epsilon_k": 277.11137, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00198, - "epsilon_k_ab": 2823.06834 - } - ] - }, - { - "identifier": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "molarweight": 48.003, - "m": 1.84943, - "sigma": 3.35444, - "epsilon_k": 275.59785, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00079, - "epsilon_k_ab": 1216.66528 - } - ] - }, - { - "identifier": { - "cas": "13352-75-5", - "name": "tetramethylene glycoldimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxymethoxy)methane", - "smiles": "COCOCOCOCOC", - "inchi": "InChI=1S/C6H14O5/c1-7-3-9-5-11-6-10-4-8-2/h3-6H2,1-2H3" - }, - "molarweight": 166.084, - "m": 5.66809, - "sigma": 3.32935, - "epsilon_k": 239.25585, - "association_sites": [ - { - "nb": 5.0 - } - ] - }, - { - "identifier": { - "cas": "101791-53-1", - "name": "2,4,6-trimethyltetradecane", - "smiles": "CCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C17H36/c1-6-7-8-9-10-11-12-16(4)14-17(5)13-15(2)3/h15-17H,6-14H2,1-5H3" - }, - "molarweight": 240.282, - "m": 9.2682, - "sigma": 3.54405, - "epsilon_k": 211.93319 - }, - { - "identifier": { - "cas": "7446-11-9", - "name": "sulfur trioxide", - "iupac_name": "sulfur trioxide", - "smiles": "O=S(=O)=O", - "inchi": "InChI=1S/O3S/c1-4(2)3" - }, - "molarweight": 79.957, - "m": 5.5115, - "sigma": 2.11391, - "epsilon_k": 178.96561, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "smiles": "CCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "molarweight": 190.172, - "m": 5.04295, - "sigma": 3.96072, - "epsilon_k": 283.01384 - }, - { - "identifier": { - "cas": "646-30-0", - "name": "nonadecanoic acid", - "iupac_name": "nonadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)" - }, - "molarweight": 298.287, - "m": 8.37817, - "sigma": 3.89032, - "epsilon_k": 266.3301, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00749, - "epsilon_k_ab": 3264.01125 - } - ] - }, - { - "identifier": { - "cas": "103-83-3", - "name": "benzyl dimethylamine", - "iupac_name": "n,n-dimethyl-1-phenylmethanamine", - "smiles": "CN(C)Cc1ccccc1", - "inchi": "InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3" - }, - "molarweight": 135.105, - "m": 3.57012, - "sigma": 3.87556, - "epsilon_k": 289.92742, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "molarweight": 61.053, - "m": 1.07233, - "sigma": 4.5, - "epsilon_k": 435.74158, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.00536, - "epsilon_k_ab": 2132.32983 - } - ] - }, - { - "identifier": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "molarweight": 102.032, - "m": 3.22641, - "sigma": 3.39386, - "epsilon_k": 317.49694, - "mu": 4.98, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "557-98-2", - "name": "2-chloropropylene", - "iupac_name": "2-chloroprop-1-ene", - "smiles": "C=C(C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "molarweight": 76.008, - "m": 1.9126, - "sigma": 3.82014, - "epsilon_k": 273.17104, - "mu": 1.66 - }, - { - "identifier": { - "cas": "507-19-7", - "name": "tert-butyl bromide", - "iupac_name": "2-bromo-2-methylpropane", - "smiles": "CC(C)(C)Br", - "inchi": "InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3" - }, - "molarweight": 135.989, - "m": 2.55378, - "sigma": 3.84461, - "epsilon_k": 269.49387 - }, - { - "identifier": { - "cas": "2396-61-4", - "name": "1,3-dipropylene glycol", - "iupac_name": "3-(3-hydroxypropoxy)propan-1-ol", - "smiles": "OCCCOCCCO", - "inchi": "InChI=1S/C6H14O3/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2" - }, - "molarweight": 134.094, - "m": 2.48459, - "sigma": 4.31319, - "epsilon_k": 266.22375, - "association_sites": [ - { - "na": 2.0, - "nb": 3.0, - "kappa_ab": 0.03104, - "epsilon_k_ab": 2026.75029 - } - ] - }, - { - "identifier": { - "cas": "117-81-7", - "name": "bis(2-ethylhexyl) phthalate", - "iupac_name": "bis(2-ethylhexyl) benzene-1,2-dicarboxylate", - "smiles": "CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC", - "inchi": "InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3" - }, - "molarweight": 390.277, - "m": 11.40213, - "sigma": 3.6536, - "epsilon_k": 240.8758, - "mu": 2.84, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "25117-26-4", - "name": "4-methylhexadecane", - "iupac_name": "4-methylhexadecane", - "smiles": "CCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h17H,4-16H2,1-3H3" - }, - "molarweight": 240.282, - "m": 5.41139, - "sigma": 4.31962, - "epsilon_k": 282.2964 - }, - { - "identifier": { - "cas": "124-09-4", - "name": "1,6-hexanediamine", - "iupac_name": "hexane-1,6-diamine", - "smiles": "NCCCCCCN", - "inchi": "InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2" - }, - "molarweight": 116.131, - "m": 5.09154, - "sigma": 3.32619, - "epsilon_k": 253.18039, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.00942, - "epsilon_k_ab": 1099.27912 - } - ] - }, - { - "identifier": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 230.152, - "m": 6.74906, - "sigma": 3.64757, - "epsilon_k": 252.99525, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "1002-69-3", - "name": "1-chlorodecane", - "iupac_name": "1-chlorodecane", - "smiles": "CCCCCCCCCCCl", - "inchi": "InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3" - }, - "molarweight": 176.133, - "m": 5.07958, - "sigma": 3.80325, - "epsilon_k": 261.66558 - }, - { - "identifier": { - "cas": "868-85-9", - "name": "phosphonic acid, dimethyl ester", - "iupac_name": "dimethoxy(oxo)phosphanium", - "smiles": "CO[PH](=O)OC", - "inchi": "InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3" - }, - "molarweight": 110.013, - "m": 3.42999, - "sigma": 3.35188, - "epsilon_k": 303.80162, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "5392-40-5", - "name": "citral ", - "iupac_name": "(2e)-3,7-dimethylocta-2,6-dienal", - "smiles": "CC(C)=CCCC(C)=CC=O", - "inchi": "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3" - }, - "molarweight": 152.12, - "m": 5.65245, - "sigma": 3.47273, - "epsilon_k": 254.08179, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2243-27-8", - "name": "nonanenitrile", - "iupac_name": "nonanenitrile", - "smiles": "CCCCCCCCC#N", - "inchi": "InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3" - }, - "molarweight": 139.136, - "m": 4.4383, - "sigma": 3.77202, - "epsilon_k": 284.63963, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "molarweight": 75.944, - "m": 1.54291, - "sigma": 3.75115, - "epsilon_k": 354.44842, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "molarweight": 121.973, - "m": 2.49276, - "sigma": 3.62552, - "epsilon_k": 272.20973, - "mu": 2.01 - }, - { - "identifier": { - "cas": "814-78-8", - "name": "methyl isopropenyl ketone", - "iupac_name": "3-methylbut-3-en-2-one", - "smiles": "C=C(C)C(C)=O", - "inchi": "InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3" - }, - "molarweight": 84.058, - "m": 2.83846, - "sigma": 3.59377, - "epsilon_k": 267.23508, - "mu": 2.74, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "150-46-9", - "name": "triethyl borate", - "iupac_name": "triethyl borate", - "smiles": "CCOB(OCC)OCC", - "inchi": "InChI=1S/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3" - }, - "molarweight": 146.111, - "m": 4.44593, - "sigma": 3.67289, - "epsilon_k": 221.84511, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "78-94-4", - "name": "methyl vinyl ketone", - "iupac_name": "but-3-en-2-one", - "smiles": "C=CC(C)=O", - "inchi": "InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3" - }, - "molarweight": 70.042, - "m": 2.52756, - "sigma": 3.52403, - "epsilon_k": 260.98831, - "mu": 3.16, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "molarweight": 86.11, - "m": 2.69778, - "sigma": 3.94028, - "epsilon_k": 245.5423 - }, - { - "identifier": { - "cas": "878-13-7", - "name": "cycloundecanone", - "iupac_name": "cycloundecanone", - "smiles": "O=C1CCCCCCCCCC1", - "inchi": "InChI=1S/C11H20O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h1-10H2" - }, - "molarweight": 168.151, - "m": 7.98757, - "sigma": 3.09718, - "epsilon_k": 228.16485, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "29171-20-8", - "name": "3,7-dimethyl-6-octen-1-yn-3-ol", - "iupac_name": "3,7-dimethyloct-6-en-1-yn-3-ol", - "smiles": "C#CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3" - }, - "molarweight": 152.12, - "m": 3.95392, - "sigma": 3.96206, - "epsilon_k": 280.93651, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00134, - "epsilon_k_ab": 2384.37607 - } - ] - }, - { - "identifier": { - "cas": "109-70-6", - "name": "1-bromo-3-chloropropane", - "iupac_name": "1-bromo-3-chloropropane", - "smiles": "ClCCCBr", - "inchi": "InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2" - }, - "molarweight": 155.934, - "m": 3.09228, - "sigma": 3.51255, - "epsilon_k": 296.50315 - }, - { - "identifier": { - "cas": "430-66-0", - "name": "1,1,2-trifluoroethane [r143]", - "iupac_name": "1,1,2-trifluoroethane", - "smiles": "FCC(F)F", - "inchi": "InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2" - }, - "molarweight": 84.019, - "m": 3.27978, - "sigma": 2.9028, - "epsilon_k": 191.06376, - "mu": 1.58 - }, - { - "identifier": { - "cas": "3922-36-9", - "name": "1,1,1,7-tetrachloroheptane", - "iupac_name": "1,1,1,7-tetrachloroheptane", - "smiles": "ClCCCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C7H12Cl4/c8-6-4-2-1-3-5-7(9,10)11/h1-6H2" - }, - "molarweight": 235.969, - "m": 7.81621, - "sigma": 3.18089, - "epsilon_k": 227.01493 - }, - { - "identifier": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "molarweight": 108.058, - "m": 4.22842, - "sigma": 3.27308, - "epsilon_k": 288.00987, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00017, - "epsilon_k_ab": 2918.11841 - } - ] - }, - { - "identifier": { - "cas": "13536-94-2", - "name": "deuterium sulfide", - "iupac_name": "(2h2)sulfane", - "smiles": "[2H]S[2H]", - "inchi": "InChI=1S/H2S/h1H2/i/hD2" - }, - "molarweight": 33.988, - "m": 1.68256, - "sigma": 2.96818, - "epsilon_k": 229.22053 - }, - { - "identifier": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" - }, - "molarweight": 254.297, - "m": 7.77756, - "sigma": 3.88349, - "epsilon_k": 248.90088 - }, - { - "identifier": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "molarweight": 86.073, - "m": 2.78946, - "sigma": 3.61711, - "epsilon_k": 264.54431, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "97-53-0", - "name": "eugenol", - "iupac_name": "2-methoxy-4-prop-2-enylphenol", - "smiles": "C=CCc1ccc(O)c(OC)c1", - "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" - }, - "molarweight": 164.084, - "m": 2.58307, - "sigma": 4.47169, - "epsilon_k": 354.47428, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.01615, - "epsilon_k_ab": 2327.01906 - } - ] - }, - { - "identifier": { - "cas": "135-02-4", - "name": "2-methoxybenzaldehyde ", - "iupac_name": "2-methoxybenzaldehyde", - "smiles": "COc1ccccc1C=O", - "inchi": "InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3" - }, - "molarweight": 136.052, - "m": 4.28145, - "sigma": 3.41771, - "epsilon_k": 309.50905, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "111-47-7", - "name": "dipropylsulfide", - "iupac_name": "1-propylsulfanylpropane", - "smiles": "CCCSCCC", - "inchi": "InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 118.082, - "m": 4.10318, - "sigma": 3.57885, - "epsilon_k": 247.17224, - "mu": 1.6, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "107-11-9", - "name": "3-amino-1-propene", - "iupac_name": "prop-2-en-1-amine", - "smiles": "C=CCN", - "inchi": "InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2" - }, - "molarweight": 57.058, - "m": 1.16308, - "sigma": 4.5, - "epsilon_k": 409.51867, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2274.27781 - } - ] - }, - { - "identifier": { - "cas": "2768-02-7", - "name": "vinyltrimethoxysilane", - "iupac_name": "ethenyl(trimethoxy)silane", - "smiles": "C=C[Si](OC)(OC)OC", - "inchi": "InChI=1S/C5H12O3Si/c1-5-9(6-2,7-3)8-4/h5H,1H2,2-4H3" - }, - "molarweight": 148.056, - "m": 4.65962, - "sigma": 3.48889, - "epsilon_k": 220.17956, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "molarweight": 102.009, - "m": 3.12135, - "sigma": 3.05561, - "epsilon_k": 165.92164, - "mu": 2.06 - }, - { - "identifier": { - "cas": "78-40-0", - "name": "triethyl phosphate", - "iupac_name": "triethyl phosphate", - "smiles": "CCOP(=O)(OCC)OCC", - "inchi": "InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3" - }, - "molarweight": 182.071, - "m": 5.70786, - "sigma": 3.43785, - "epsilon_k": 243.78147, - "mu": 3.09, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "78-90-0", - "name": "1,2-propanediamine", - "iupac_name": "propane-1,2-diamine", - "smiles": "CC(N)CN", - "inchi": "InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3" - }, - "molarweight": 74.084, - "m": 3.91558, - "sigma": 3.11145, - "epsilon_k": 231.96745, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.27378, - "epsilon_k_ab": 406.14917 - } - ] - }, - { - "identifier": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "molarweight": 168.094, - "m": 4.27215, - "sigma": 3.82054, - "epsilon_k": 314.71829 - }, - { - "identifier": { - "cas": "589-98-0", - "name": "3-octanol", - "iupac_name": "octan-3-ol", - "smiles": "CCCCCC(O)CC", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 130.136, - "m": 4.63658, - "sigma": 3.62516, - "epsilon_k": 244.16818, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00275, - "epsilon_k_ab": 2484.90408 - } - ] - }, - { - "identifier": { - "cas": "99-54-7", - "name": "3,4-dichloronitrobenzene", - "iupac_name": "1,2-dichloro-4-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccc(Cl)c(Cl)c1", - "inchi": "InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H" - }, - "molarweight": 190.954, - "m": 4.23373, - "sigma": 3.49076, - "epsilon_k": 320.0502, - "mu": 2.17, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "molarweight": 79.042, - "m": 2.64908, - "sigma": 3.46646, - "epsilon_k": 301.81333, - "mu": 2.19, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1678-93-9", - "name": "n-butylcyclohexane", - "iupac_name": "butylcyclohexane", - "smiles": "CCCCC1CCCCC1", - "inchi": "InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3" - }, - "molarweight": 140.157, - "m": 3.73574, - "sigma": 4.00758, - "epsilon_k": 279.99563 - }, - { - "identifier": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "molarweight": 98.073, - "m": 2.83191, - "sigma": 3.71161, - "epsilon_k": 309.90592, - "mu": 3.1, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "5989-54-8", - "name": "l-(-)-limonene", - "iupac_name": "(4s)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1" - }, - "molarweight": 136.125, - "m": 3.67898, - "sigma": 3.91874, - "epsilon_k": 282.85975 - }, - { - "identifier": { - "cas": "629-27-6", - "name": "1-iodooctane", - "iupac_name": "1-iodooctane", - "smiles": "CCCCCCCCI", - "inchi": "InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3" - }, - "molarweight": 240.037, - "m": 3.01899, - "sigma": 4.40414, - "epsilon_k": 345.15229 - }, - { - "identifier": { - "cas": "629-14-1", - "name": "1,2-diethoxyethane", - "iupac_name": "1,2-diethoxyethane", - "smiles": "CCOCCOCC", - "inchi": "InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3" - }, - "molarweight": 118.099, - "m": 4.67255, - "sigma": 3.38567, - "epsilon_k": 219.21063, - "mu": 1.07026, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "593-49-7", - "name": "heptacosane", - "iupac_name": "heptacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3" - }, - "molarweight": 380.438, - "m": 11.1418, - "sigma": 3.91534, - "epsilon_k": 250.82568 - }, - { - "identifier": { - "cas": "659-70-1", - "name": "3-methylbutanoic acid 3-methylbutyl ester", - "iupac_name": "3-methylbutyl 3-methylbutanoate", - "smiles": "CC(C)CCOC(=O)CC(C)C", - "inchi": "InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3" - }, - "molarweight": 172.146, - "m": 3.84758, - "sigma": 4.15503, - "epsilon_k": 279.37646, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "359-10-4", - "name": "1-chloro-2,2-difluoroethylene (r1122)", - "iupac_name": "2-chloro-1,1-difluoroethene", - "smiles": "FC(F)=CCl", - "inchi": "InChI=1S/C2HClF2/c3-1-2(4)5/h1H" - }, - "molarweight": 97.973, - "m": 2.54285, - "sigma": 3.27944, - "epsilon_k": 202.77134 - }, - { - "identifier": { - "cas": "106-32-1", - "name": "octanoic acid ethyl ester", - "iupac_name": "ethyl octanoate", - "smiles": "CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3" - }, - "molarweight": 172.146, - "m": 5.48341, - "sigma": 3.66468, - "epsilon_k": 243.41624, - "mu": 1.75, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "molarweight": 87.994, - "m": 2.19671, - "sigma": 3.1292, - "epsilon_k": 122.12982 - }, - { - "identifier": { - "cas": "96-43-5", - "name": "2-chlorothiophene", - "iupac_name": "2-chlorothiophene", - "smiles": "Clc1cccs1", - "inchi": "InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H" - }, - "molarweight": 117.964, - "m": 2.10544, - "sigma": 3.93294, - "epsilon_k": 360.09788, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "molarweight": 278.152, - "m": 7.33185, - "sigma": 3.71951, - "epsilon_k": 272.13483, - "mu": 2.82, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "molarweight": 100.089, - "m": 3.51266, - "sigma": 3.6135, - "epsilon_k": 248.15792, - "mu": 2.8, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "502-69-2", - "name": "6,10,14-trimethyl-2-pentadecanone", - "iupac_name": "6,10,14-trimethylpentadecan-2-one", - "smiles": "CC(=O)CCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3" - }, - "molarweight": 268.277, - "m": 5.0591, - "sigma": 4.5, - "epsilon_k": 306.00675, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "138-22-7", - "name": "n-butyl lactate", - "iupac_name": "butyl 2-hydroxypropanoate", - "smiles": "CCCCOC(=O)C(C)O", - "inchi": "InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3" - }, - "molarweight": 146.094, - "m": 4.72982, - "sigma": 3.51655, - "epsilon_k": 254.63974, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.00154, - "epsilon_k_ab": 1506.24418 - } - ] - }, - { - "identifier": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 123.032, - "m": 3.28514, - "sigma": 3.54981, - "epsilon_k": 313.00086, - "mu": 4.22, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2765-18-6", - "name": "1-propyl naphthalene", - "iupac_name": "1-propylnaphthalene", - "smiles": "CCCc1cccc2ccccc12", - "inchi": "InChI=1S/C13H14/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-5,7-10H,2,6H2,1H3" - }, - "molarweight": 170.11, - "m": 4.20655, - "sigma": 3.88611, - "epsilon_k": 321.42408 - }, - { - "identifier": { - "cas": "504-03-0", - "name": "2,6-dimethylpiperidine", - "iupac_name": "2,6-dimethylpiperidine", - "smiles": "CC1CCCC(C)N1", - "inchi": "InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3" - }, - "molarweight": 113.12, - "m": 2.13846, - "sigma": 4.5, - "epsilon_k": 313.64433, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.05258, - "epsilon_k_ab": 1235.41767 - } - ] - }, - { - "identifier": { - "cas": "78-00-2", - "name": "tetraethylplumbane", - "iupac_name": "tetraethylplumbane", - "smiles": "[CH2]C.[CH2]C.[CH2]C.[CH2]C.[Pb]", - "inchi": "InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;" - }, - "molarweight": 324.133, - "m": 3.48007, - "sigma": 4.30258, - "epsilon_k": 309.62636 - }, - { - "identifier": { - "cas": "1120-28-1", - "name": "eicosanoic acid methyl ester", - "iupac_name": "methyl icosanoate", - "smiles": "CCCCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3" - }, - "molarweight": 326.318, - "m": 11.74916, - "sigma": 3.53438, - "epsilon_k": 225.69967, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "19780-66-6", - "name": "2-methyl-3-ethyl-1-pentene", - "iupac_name": "3-ethyl-2-methylpent-1-ene", - "smiles": "C=C(C)C(CC)CC", - "inchi": "InChI=1S/C8H16/c1-5-8(6-2)7(3)4/h8H,3,5-6H2,1-2,4H3" - }, - "molarweight": 112.125, - "m": 3.26285, - "sigma": 3.96422, - "epsilon_k": 253.39823 - }, - { - "identifier": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "molarweight": 76.052, - "m": 3.10436, - "sigma": 3.29131, - "epsilon_k": 223.54729, - "mu": 1.0, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "591-95-7", - "name": "1,2-pentadiene", - "iupac_name": "penta-1,2-diene", - "smiles": "C=C=CCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3" - }, - "molarweight": 68.063, - "m": 2.69215, - "sigma": 3.58319, - "epsilon_k": 242.20223 - }, - { - "identifier": { - "cas": "115-21-9", - "name": "trichloroethylsilane", - "iupac_name": "trichloro(ethyl)silane", - "smiles": "CC[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3" - }, - "molarweight": 161.923, - "m": 3.07711, - "sigma": 3.86316, - "epsilon_k": 257.40105 - }, - { - "identifier": { - "cas": "120-12-7", - "name": "anthracene", - "iupac_name": "anthracene", - "smiles": "c1ccc2cc3ccccc3cc2c1", - "inchi": "InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H" - }, - "molarweight": 178.078, - "m": 3.21395, - "sigma": 4.21848, - "epsilon_k": 423.5456 - }, - { - "identifier": { - "cas": "1632-70-8", - "name": "5-methylundecane", - "iupac_name": "5-methylundecane", - "smiles": "CCCCCCC(C)CCCC", - "inchi": "InChI=1S/C12H26/c1-4-6-8-9-11-12(3)10-7-5-2/h12H,4-11H2,1-3H3" - }, - "molarweight": 170.203, - "m": 5.23401, - "sigma": 3.89, - "epsilon_k": 246.68655 - }, - { - "identifier": { - "cas": "2244-16-8", - "name": "(s)-(+)-carvone", - "iupac_name": "(5s)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one", - "smiles": "C=C(C)[C@@H]1CC=C(C)C(=O)C1", - "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1" - }, - "molarweight": 150.104, - "m": 4.106, - "sigma": 3.77076, - "epsilon_k": 302.43737, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1522-22-1", - "name": "1,1,1,5,5,5-hexafluoro-2,4-pentanedione", - "iupac_name": "1,1,1,5,5,5-hexafluoropentane-2,4-dione", - "smiles": "O=C(CC(=O)C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2" - }, - "molarweight": 207.996, - "m": 4.61646, - "sigma": 3.1243, - "epsilon_k": 195.3255, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "821-55-6", - "name": "2-nonanone", - "iupac_name": "nonan-2-one", - "smiles": "CCCCCCCC(C)=O", - "inchi": "InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3" - }, - "molarweight": 142.136, - "m": 4.71246, - "sigma": 3.69989, - "epsilon_k": 256.06192, - "mu": 2.55, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "105-45-3", - "name": "methyl acetoacetate", - "iupac_name": "methyl 3-oxobutanoate", - "smiles": "COC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3" - }, - "molarweight": 116.047, - "m": 4.01296, - "sigma": 3.33213, - "epsilon_k": 269.61534, - "mu": 3.0, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "2532-58-3", - "name": "cis-1,3-dimethylcyclopentane", - "iupac_name": "(1s,3r)-1,3-dimethylcyclopentane", - "smiles": "C[C@@H]1CC[C@H](C)C1", - "inchi": "InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7+" - }, - "molarweight": 98.11, - "m": 2.84978, - "sigma": 3.92513, - "epsilon_k": 263.71583 - }, - { - "identifier": { - "cas": "20348-51-0", - "name": "cis-2-decene", - "iupac_name": "(z)-dec-2-ene", - "smiles": "C/C=C\\CCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3-" - }, - "molarweight": 140.157, - "m": 4.37143, - "sigma": 3.86282, - "epsilon_k": 253.04598 - }, - { - "identifier": { - "cas": "105-68-0", - "name": "isoamyl propionate", - "iupac_name": "3-methylbutyl propanoate", - "smiles": "CCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3" - }, - "molarweight": 144.115, - "m": 4.28178, - "sigma": 3.75157, - "epsilon_k": 249.91597, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "542-59-6", - "name": "glycol monoacetate", - "iupac_name": "2-hydroxyethyl acetate", - "smiles": "CC(=O)OCCO", - "inchi": "InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3" - }, - "molarweight": 104.047, - "m": 5.84843, - "sigma": 2.79386, - "epsilon_k": 240.78674, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1761.6974 - } - ] - }, - { - "identifier": { - "cas": "1459-93-4", - "name": "1,3-benzenedicarboxylic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,3-dicarboxylate", - "smiles": "COC(=O)c1cccc(C(=O)OC)c1", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3" - }, - "molarweight": 194.058, - "m": 5.29754, - "sigma": 3.51856, - "epsilon_k": 295.20138, - "mu": 2.23, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "molarweight": 184.219, - "m": 5.6357, - "sigma": 3.82246, - "epsilon_k": 252.01401 - }, - { - "identifier": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "molarweight": 134.094, - "m": 5.03781, - "sigma": 3.3504, - "epsilon_k": 234.66738, - "mu": 1.97, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "100-48-1", - "name": "4-cyanopyridine", - "iupac_name": "pyridine-4-carbonitrile", - "smiles": "N#Cc1ccncc1", - "inchi": "InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H" - }, - "molarweight": 104.037, - "m": 3.78185, - "sigma": 3.27969, - "epsilon_k": 303.76325, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "molarweight": 86.073, - "m": 1.92092, - "sigma": 4.10628, - "epsilon_k": 346.84328, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00178, - "epsilon_k_ab": 2887.06558 - } - ] - }, - { - "identifier": { - "cas": "2243-98-3", - "name": "1-undecyne", - "iupac_name": "undec-1-yne", - "smiles": "C#CCCCCCCCCC", - "inchi": "InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3" - }, - "molarweight": 152.157, - "m": 5.22298, - "sigma": 3.70663, - "epsilon_k": 242.80053 - }, - { - "identifier": { - "cas": "1113-31-1", - "name": "1,1-dichloro-n,n-dimethylboranamine", - "iupac_name": "n-dichloroboranyl-n-methylmethanamine", - "smiles": "CN(C)B(Cl)Cl", - "inchi": "InChI=1S/C2H6BCl2N/c1-6(2)3(4)5/h1-2H3" - }, - "molarweight": 124.997, - "m": 2.53162, - "sigma": 3.88987, - "epsilon_k": 306.44194, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "molarweight": 18.011, - "m": 2.36948, - "sigma": 2.15072, - "epsilon_k": 230.71557, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.35319, - "epsilon_k_ab": 2195.10176 - } - ] - }, - { - "identifier": { - "cas": "372-18-9", - "name": "1,3-difluorobenzene", - "iupac_name": "1,3-difluorobenzene", - "smiles": "Fc1cccc(F)c1", - "inchi": "InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "molarweight": 114.028, - "m": 3.08309, - "sigma": 3.47672, - "epsilon_k": 251.55524, - "mu": 1.58 - }, - { - "identifier": { - "cas": "620-14-4", - "name": "1-ethyl-3-methylbenzene", - "iupac_name": "1-ethyl-3-methylbenzene", - "smiles": "CCc1cccc(C)c1", - "inchi": "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3" - }, - "molarweight": 120.094, - "m": 3.34355, - "sigma": 3.85007, - "epsilon_k": 290.05898 - }, - { - "identifier": { - "cas": "98-94-2", - "name": "n,n-dimethylcyclohexylamine", - "iupac_name": "n,n-dimethylcyclohexanamine", - "smiles": "CN(C)C1CCCCC1", - "inchi": "InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3" - }, - "molarweight": 127.136, - "m": 3.28814, - "sigma": 3.96542, - "epsilon_k": 290.78798, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "141-93-5", - "name": "1,3-diethylbenzene", - "iupac_name": "1,3-diethylbenzene", - "smiles": "CCc1cccc(CC)c1", - "inchi": "InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3" - }, - "molarweight": 134.11, - "m": 3.79773, - "sigma": 3.8322, - "epsilon_k": 281.05235 - }, - { - "identifier": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 130.136, - "m": 4.21629, - "sigma": 3.76732, - "epsilon_k": 239.48731, - "mu": 1.2, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "19353-21-0", - "name": "3,4-dimethylpentanal", - "iupac_name": "3,4-dimethylpentanal", - "smiles": "CC(C)C(C)CC=O", - "inchi": "InChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h5-7H,4H2,1-3H3" - }, - "molarweight": 114.104, - "m": 3.51585, - "sigma": 3.75619, - "epsilon_k": 270.25784, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1560-97-0", - "name": "2-methyldodecane", - "iupac_name": "2-methyldodecane", - "smiles": "CCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3" - }, - "molarweight": 184.219, - "m": 5.383, - "sigma": 3.96526, - "epsilon_k": 253.72926 - }, - { - "identifier": { - "cas": "542-69-8", - "name": "1-iodobutane", - "iupac_name": "1-iodobutane", - "smiles": "CCCCI", - "inchi": "InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3" - }, - "molarweight": 183.975, - "m": 2.9755, - "sigma": 3.74363, - "epsilon_k": 287.47016, - "mu": 2.12 - }, - { - "identifier": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "molarweight": 120.094, - "m": 3.25816, - "sigma": 3.88643, - "epsilon_k": 287.70609 - }, - { - "identifier": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "molarweight": 95.953, - "m": 2.0387, - "sigma": 3.67649, - "epsilon_k": 275.86193, - "mu": 1.34 - }, - { - "identifier": { - "cas": "97-95-0", - "name": "2-ethyl-1-butanol", - "iupac_name": "2-ethylbutan-1-ol", - "smiles": "CCC(CC)CO", - "inchi": "InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "m": 1.97846, - "sigma": 4.5, - "epsilon_k": 359.77403, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00014, - "epsilon_k_ab": 3442.68364 - } - ] - }, - { - "identifier": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "molarweight": 102.009, - "m": 3.01931, - "sigma": 3.05779, - "epsilon_k": 178.66968, - "mu": 1.7 - }, - { - "identifier": { - "cas": "111-92-2", - "name": "dibutylamine", - "iupac_name": "n-butylbutan-1-amine", - "smiles": "CCCCNCCCC", - "inchi": "InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3" - }, - "molarweight": 129.152, - "m": 2.87347, - "sigma": 4.3743, - "epsilon_k": 304.20185, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2686.96987 - } - ] - }, - { - "identifier": { - "cas": "57-11-4", - "name": "stearic acid", - "iupac_name": "octadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" - }, - "molarweight": 284.272, - "m": 6.37168, - "sigma": 4.2222, - "epsilon_k": 291.22148, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00238, - "epsilon_k_ab": 4030.38606 - } - ] - }, - { - "identifier": { - "cas": "100-80-1", - "name": "3-methylstyrene <3-vinyltoluene>", - "iupac_name": "1-ethenyl-3-methylbenzene", - "smiles": "C=Cc1cccc(C)c1", - "inchi": "InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3" - }, - "molarweight": 118.078, - "m": 3.54515, - "sigma": 3.69698, - "epsilon_k": 288.84016 - }, - { - "identifier": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "molarweight": 171.852, - "m": 2.37875, - "sigma": 3.40645, - "epsilon_k": 313.97633, - "mu": 1.43 - }, - { - "identifier": { - "cas": "616-23-9", - "name": "2,3-dichloro-1-propanol", - "iupac_name": "2,3-dichloropropan-1-ol", - "smiles": "OCC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2" - }, - "molarweight": 127.98, - "m": 1.57007, - "sigma": 4.5, - "epsilon_k": 446.70373, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00207, - "epsilon_k_ab": 2724.29424 - } - ] - }, - { - "identifier": { - "cas": "2070-70-4", - "name": "perfluoro-2-methyl-3-pentene", - "iupac_name": "(e)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene", - "smiles": "F/C(=C(/F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18/b2-1+" - }, - "molarweight": 299.981, - "m": 4.85514, - "sigma": 3.53899, - "epsilon_k": 169.2563 - }, - { - "identifier": { - "cas": "4565-32-6", - "name": "2,3-dihydrobenzothiophene <1-thiaindan>", - "iupac_name": "2,3-dihydro-1-benzothiophene", - "smiles": "c1ccc2c(c1)CCS2", - "inchi": "InChI=1S/C8H8S/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2" - }, - "molarweight": 136.035, - "m": 3.1083, - "sigma": 3.81988, - "epsilon_k": 361.88651, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "106-65-0", - "name": "dimethyl succinate", - "iupac_name": "dimethyl butanedioate", - "smiles": "COC(=O)CCC(=O)OC", - "inchi": "InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3" - }, - "molarweight": 146.058, - "m": 5.26317, - "sigma": 3.23551, - "epsilon_k": 250.69308, - "mu": 2.16, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "60435-70-3", - "name": "2-methyl-1-heptanol", - "iupac_name": "2-methylheptan-1-ol", - "smiles": "CCCCCC(C)CO", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-8(2)7-9/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 130.136, - "m": 2.62364, - "sigma": 4.46435, - "epsilon_k": 330.61678, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3402.33868 - } - ] - }, - { - "identifier": { - "cas": "695-06-7", - "name": "gamma-caprolactone", - "iupac_name": "5-ethyloxolan-2-one", - "smiles": "CCC1CCC(=O)O1", - "inchi": "InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3" - }, - "molarweight": 114.068, - "m": 3.06715, - "sigma": 3.74185, - "epsilon_k": 358.45463, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "78-99-9", - "name": "1,1-dichloropropane", - "iupac_name": "1,1-dichloropropane", - "smiles": "CCC(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3" - }, - "molarweight": 111.985, - "m": 2.72542, - "sigma": 3.63709, - "epsilon_k": 271.36938, - "mu": 2.08 - }, - { - "identifier": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "molarweight": 49.992, - "m": 1.874, - "sigma": 3.24642, - "epsilon_k": 225.93053, - "mu": 1.87 - }, - { - "identifier": { - "cas": "5637-96-7", - "name": "9-(2-phenylethyl)heptadecane", - "iupac_name": "3-octylundecylbenzene", - "smiles": "CCCCCCCCC(CCCCCCCC)CCc1ccccc1", - "inchi": "InChI=1S/C25H44/c1-3-5-7-9-11-14-18-24(19-15-12-10-8-6-4-2)22-23-25-20-16-13-17-21-25/h13,16-17,20-21,24H,3-12,14-15,18-19,22-23H2,1-2H3" - }, - "molarweight": 344.344, - "m": 8.85479, - "sigma": 4.02601, - "epsilon_k": 267.74729 - }, - { - "identifier": { - "cas": "97-93-8", - "name": "triethylaluminum", - "iupac_name": "triethylalumane", - "smiles": "[Al].[CH2]C.[CH2]C.[CH2]C", - "inchi": "InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3;" - }, - "molarweight": 114.099, - "m": 11.86856, - "sigma": 2.43218, - "epsilon_k": 175.96161 - }, - { - "identifier": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "molarweight": 106.078, - "m": 3.12139, - "sigma": 3.78548, - "epsilon_k": 286.60798 - }, - { - "identifier": { - "cas": "2550-06-3", - "name": "(3-chloropropyl)trichlorosilane", - "iupac_name": "trichloro(3-chloropropyl)silane", - "smiles": "ClCCC[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl4Si/c4-2-1-3-8(5,6)7/h1-3H2" - }, - "molarweight": 209.899, - "m": 4.1018, - "sigma": 3.72301, - "epsilon_k": 270.88173 - }, - { - "identifier": { - "cas": "107-25-5", - "name": "methyl vinyl ether", - "iupac_name": "methoxyethene", - "smiles": "C=COC", - "inchi": "InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3" - }, - "molarweight": 58.042, - "m": 2.34442, - "sigma": 3.4151, - "epsilon_k": 231.77055, - "mu": 1.11, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "molarweight": 68.063, - "m": 2.13665, - "sigma": 3.88326, - "epsilon_k": 272.07785, - "mu": 0.81 - }, - { - "identifier": { - "cas": "17348-59-3", - "name": "isopropyl tert-butyl ether", - "iupac_name": "2-methyl-2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)(C)C", - "inchi": "InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3" - }, - "molarweight": 116.12, - "m": 3.52018, - "sigma": 3.84456, - "epsilon_k": 228.32192, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "molarweight": 144.151, - "m": 4.05376, - "sigma": 3.93978, - "epsilon_k": 277.88672, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00254, - "epsilon_k_ab": 2917.47097 - } - ] - }, - { - "identifier": { - "cas": "541-73-1", - "name": "m-dichlorobenzene", - "iupac_name": "1,3-dichlorobenzene", - "smiles": "Clc1cccc(Cl)c1", - "inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "molarweight": 145.969, - "m": 2.88742, - "sigma": 3.81761, - "epsilon_k": 328.28758, - "mu": 1.72 - }, - { - "identifier": { - "cas": "625-65-0", - "name": "2,4-dimethyl-2-pentene", - "iupac_name": "2,4-dimethylpent-2-ene", - "smiles": "CC(C)=CC(C)C", - "inchi": "InChI=1S/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H3" - }, - "molarweight": 98.11, - "m": 3.1563, - "sigma": 3.86085, - "epsilon_k": 241.4735 - }, - { - "identifier": { - "cas": "24800-25-7", - "name": "tetrapropylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)COC(C)CO", - "inchi": "InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3" - }, - "molarweight": 250.178, - "m": 4.11093, - "sigma": 4.5, - "epsilon_k": 332.04242, - "association_sites": [ - { - "na": 2.0, - "nb": 5.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3431.41122 - } - ] - }, - { - "identifier": { - "cas": "1759-58-6", - "name": "trans-1,3-dimethylcyclopentane", - "iupac_name": "(1r,3r)-1,3-dimethylcyclopentane", - "smiles": "C[C@H]1CC[C@H](C)C1", - "inchi": "InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/s2" - }, - "molarweight": 98.11, - "m": 2.78995, - "sigma": 3.95348, - "epsilon_k": 266.22832 - }, - { - "identifier": { - "cas": "78-81-9", - "name": "2-methylpropylamine", - "iupac_name": "2-methylpropan-1-amine", - "smiles": "CC(C)CN", - "inchi": "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3" - }, - "molarweight": 73.089, - "m": 3.28521, - "sigma": 3.37756, - "epsilon_k": 232.76833, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1914.5902 - } - ] - }, - { - "identifier": { - "cas": "159939-87-4", - "name": "o-isobutyll-s-2-(n,n-diethylamino)-ethylmethylphosphonothioate", - "iupac_name": "n,n-diethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamine", - "smiles": "CCN(CC)CCSP(C)(=O)OCC(C)C", - "inchi": "InChI=1S/C11H26NO2PS/c1-6-12(7-2)8-9-16-15(5,13)14-10-11(3)4/h11H,6-10H2,1-5H3" - }, - "molarweight": 267.142, - "m": 6.07952, - "sigma": 3.94947, - "epsilon_k": 278.13965, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "molarweight": 270.256, - "m": 8.09875, - "sigma": 3.78262, - "epsilon_k": 250.23475, - "mu": 1.59, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1560-84-5", - "name": "2-methyleicosane", - "iupac_name": "2-methylicosane", - "smiles": "CCCCCCCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C21H44/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h21H,4-20H2,1-3H3" - }, - "molarweight": 296.344, - "m": 8.35167, - "sigma": 3.981, - "epsilon_k": 254.67181 - }, - { - "identifier": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "molarweight": 152.006, - "m": 3.63863, - "sigma": 3.23096, - "epsilon_k": 169.44952, - "mu": 1.98 - }, - { - "identifier": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "molarweight": 100.125, - "m": 3.01421, - "sigma": 3.95476, - "epsilon_k": 252.04445 - }, - { - "identifier": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "molarweight": 82.042, - "m": 2.82417, - "sigma": 3.4514, - "epsilon_k": 253.04412, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1678-92-8", - "name": "n-propyl cyclohexane", - "iupac_name": "propylcyclohexane", - "smiles": "CCCC1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "molarweight": 126.141, - "m": 3.32724, - "sigma": 4.0282, - "epsilon_k": 283.39012 - }, - { - "identifier": { - "cas": "7357-93-9", - "name": "2-ethyl-3-methyl-1-butene", - "iupac_name": "2-methyl-3-methylidenepentane", - "smiles": "C=C(CC)C(C)C", - "inchi": "InChI=1S/C7H14/c1-5-7(4)6(2)3/h6H,4-5H2,1-3H3" - }, - "molarweight": 98.11, - "m": 2.99671, - "sigma": 3.90987, - "epsilon_k": 251.86707 - }, - { - "identifier": { - "cas": "111-31-9", - "name": "hexylmercaptan", - "iupac_name": "hexane-1-thiol", - "smiles": "CCCCCCS", - "inchi": "InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "molarweight": 118.082, - "m": 3.17419, - "sigma": 3.94841, - "epsilon_k": 273.50631, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.32757, - "epsilon_k_ab": 694.52847 - } - ] - }, - { - "identifier": { - "cas": "88-18-6", - "name": "2-tert-butylphenol", - "iupac_name": "2-tert-butylphenol", - "smiles": "CC(C)(C)c1ccccc1O", - "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3" - }, - "molarweight": 150.104, - "m": 4.35704, - "sigma": 3.67828, - "epsilon_k": 287.54796, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00452, - "epsilon_k_ab": 1424.40389 - } - ] - }, - { - "identifier": { - "cas": "684-16-2", - "name": "perfluoro-2-propanone", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-one", - "smiles": "O=C(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9" - }, - "molarweight": 165.985, - "m": 3.75359, - "sigma": 3.21514, - "epsilon_k": 151.93805, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "106-37-6", - "name": "p-dibromobenzene", - "iupac_name": "1,4-dibromobenzene", - "smiles": "Brc1ccc(Br)cc1", - "inchi": "InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "molarweight": 233.868, - "m": 3.13662, - "sigma": 3.80234, - "epsilon_k": 347.91066 - }, - { - "identifier": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "molarweight": 54.047, - "m": 2.73542, - "sigma": 3.3065, - "epsilon_k": 214.25785, - "mu": 0.8 - }, - { - "identifier": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "molarweight": 185.99, - "m": 3.78235, - "sigma": 3.39118, - "epsilon_k": 221.62509 - }, - { - "identifier": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "molarweight": 78.024, - "m": 2.45129, - "sigma": 3.58053, - "epsilon_k": 253.32939, - "mu": 2.05 - }, - { - "identifier": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "molarweight": 73.089, - "m": 2.30326, - "sigma": 3.91087, - "epsilon_k": 241.99467, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.05886, - "epsilon_k_ab": 962.21594 - } - ] - }, - { - "identifier": { - "cas": "502-56-7", - "name": "5-nonanone", - "iupac_name": "nonan-5-one", - "smiles": "CCCCC(=O)CCCC", - "inchi": "InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 142.136, - "m": 4.71781, - "sigma": 3.68017, - "epsilon_k": 252.35146, - "mu": 2.74, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "105-56-6", - "name": "cyanoacetic acid ethyl ester", - "iupac_name": "ethyl 2-cyanoacetate", - "smiles": "CCOC(=O)CC#N", - "inchi": "InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3" - }, - "molarweight": 113.048, - "m": 4.45764, - "sigma": 3.22649, - "epsilon_k": 283.2992, - "mu": 2.17, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "3698-94-0", - "name": "ethyl octyl sulfide", - "iupac_name": "1-ethylsulfanyloctane", - "smiles": "CCCCCCCCSCC", - "inchi": "InChI=1S/C10H22S/c1-3-5-6-7-8-9-10-11-4-2/h3-10H2,1-2H3" - }, - "molarweight": 174.144, - "m": 4.834, - "sigma": 3.9091, - "epsilon_k": 271.75181, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "molarweight": 174.043, - "m": 4.67476, - "sigma": 3.51365, - "epsilon_k": 296.56618, - "mu": 2.52, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "molarweight": 104.084, - "m": 2.76734, - "sigma": 3.87369, - "epsilon_k": 249.87644, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.03898, - "epsilon_k_ab": 2045.07106 - } - ] - }, - { - "identifier": { - "cas": "2356-61-8", - "name": "1,1,2,2-tetrafluoroethyl-trifluoromethylether", - "iupac_name": "1,1,2,2-tetrafluoro-1-(trifluoromethoxy)ethane", - "smiles": "FC(F)C(F)(F)OC(F)(F)F", - "inchi": "InChI=1S/C3HF7O/c4-1(5)2(6,7)11-3(8,9)10/h1H" - }, - "molarweight": 185.992, - "m": 4.24789, - "sigma": 3.19334, - "epsilon_k": 157.60742, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "692-23-9", - "name": "n-butyldichloro arsine", - "iupac_name": "butyl(dichloro)arsane", - "smiles": "CCCC[As](Cl)Cl", - "inchi": "InChI=1S/C4H9AsCl2/c1-2-3-4-5(6)7/h2-4H2,1H3" - }, - "molarweight": 201.93, - "m": 6.35748, - "sigma": 3.89488, - "epsilon_k": 214.49689 - }, - { - "identifier": { - "cas": "124-19-6", - "name": "nonanal", - "iupac_name": "nonanal", - "smiles": "CCCCCCCCC=O", - "inchi": "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3" - }, - "molarweight": 142.136, - "m": 5.19012, - "sigma": 3.55228, - "epsilon_k": 245.15575, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "FC(F)C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "molarweight": 152.006, - "m": 3.64005, - "sigma": 3.21838, - "epsilon_k": 177.56548, - "mu": 1.17 - }, - { - "identifier": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "molarweight": 98.037, - "m": 4.69111, - "sigma": 2.91043, - "epsilon_k": 199.02602, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.19141, - "epsilon_k_ab": 2042.36559 - } - ] - }, - { - "identifier": { - "cas": "151-10-0", - "name": "1,3-dimethoxybenzene ", - "iupac_name": "1,3-dimethoxybenzene", - "smiles": "COc1cccc(OC)c1", - "inchi": "InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3" - }, - "molarweight": 138.068, - "m": 4.53623, - "sigma": 3.41172, - "epsilon_k": 280.83971, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "112-61-8", - "name": "octadecanoic acid methyl ester", - "iupac_name": "methyl octadecanoate", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3" - }, - "molarweight": 298.287, - "m": 9.24031, - "sigma": 3.73727, - "epsilon_k": 246.10629, - "mu": 1.56, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "molarweight": 158.167, - "m": 4.16225, - "sigma": 4.03914, - "epsilon_k": 283.50451, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00194, - "epsilon_k_ab": 3081.68397 - } - ] - }, - { - "identifier": { - "cas": "2162-99-4", - "name": "1,8-dichlorooctane", - "iupac_name": "1,8-dichlorooctane", - "smiles": "ClCCCCCCCCCl", - "inchi": "InChI=1S/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2" - }, - "molarweight": 182.063, - "m": 5.17941, - "sigma": 3.6282, - "epsilon_k": 273.35267 - }, - { - "identifier": { - "cas": "765-03-7", - "name": "1-dodecyne", - "iupac_name": "dodec-1-yne", - "smiles": "C#CCCCCCCCCCC", - "inchi": "InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3" - }, - "molarweight": 166.172, - "m": 9.93192, - "sigma": 3.03014, - "epsilon_k": 191.85905 - }, - { - "identifier": { - "cas": "1455-21-6", - "name": "nonylmercaptan", - "iupac_name": "nonane-1-thiol", - "smiles": "CCCCCCCCCS", - "inchi": "InChI=1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "molarweight": 160.129, - "m": 2.98269, - "sigma": 4.5, - "epsilon_k": 289.28833, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.11315, - "epsilon_k_ab": 2004.38786 - } - ] - }, - { - "identifier": { - "cas": "822-23-1", - "name": "octadecyl acetate", - "iupac_name": "octadecyl acetate", - "smiles": "CCCCCCCCCCCCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3" - }, - "molarweight": 312.303, - "m": 8.19061, - "sigma": 3.97505, - "epsilon_k": 263.03159, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "105-39-5", - "name": "chloroacetic acid ethyl ester", - "iupac_name": "ethyl 2-chloroacetate", - "smiles": "CCOC(=O)CCl", - "inchi": "InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3" - }, - "molarweight": 122.013, - "m": 3.81691, - "sigma": 3.3492, - "epsilon_k": 260.93517, - "mu": 2.64, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "7045-71-8", - "name": "2-methylundecane", - "iupac_name": "2-methylundecane", - "smiles": "CCCCCCCCCC(C)C", - "inchi": "InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3" - }, - "molarweight": 170.203, - "m": 4.81946, - "sigma": 4.01748, - "epsilon_k": 257.96331 - }, - { - "identifier": { - "cas": "542-85-8", - "name": "ethyl isothiocyanate", - "iupac_name": "isothiocyanatoethane", - "smiles": "CCN=C=S", - "inchi": "InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3" - }, - "molarweight": 87.014, - "m": 2.419, - "sigma": 3.69059, - "epsilon_k": 337.94773, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "molarweight": 106.078, - "m": 3.15438, - "sigma": 3.76074, - "epsilon_k": 285.82869 - }, - { - "identifier": { - "cas": "939-27-5", - "name": "2-ethyl naphthalene", - "iupac_name": "2-ethylnaphthalene", - "smiles": "CCc1ccc2ccccc2c1", - "inchi": "InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3" - }, - "molarweight": 156.094, - "m": 3.69338, - "sigma": 3.94125, - "epsilon_k": 336.7933 - }, - { - "identifier": { - "cas": "590-67-0", - "name": "1-methylcyclohexanol", - "iupac_name": "1-methylcyclohexan-1-ol", - "smiles": "CC1(O)CCCCC1", - "inchi": "InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3" - }, - "molarweight": 114.104, - "m": 3.18643, - "sigma": 3.78142, - "epsilon_k": 316.35192, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "4110-50-3", - "name": "ethyl propyl sulfide", - "iupac_name": "1-ethylsulfanylpropane", - "smiles": "CCCSCC", - "inchi": "InChI=1S/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3" - }, - "molarweight": 104.066, - "m": 3.24088, - "sigma": 3.70779, - "epsilon_k": 266.63413, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "95-65-8", - "name": "3,4-dimethylphenol", - "iupac_name": "3,4-dimethylphenol", - "smiles": "Cc1ccc(O)cc1C", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" - }, - "molarweight": 122.073, - "m": 1.93625, - "sigma": 4.5, - "epsilon_k": 346.22103, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01661, - "epsilon_k_ab": 3308.57958 - } - ] - }, - { - "identifier": { - "cas": "7642-15-1", - "name": "cis-4-octene", - "iupac_name": "(z)-oct-4-ene", - "smiles": "CCC/C=C\\CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-" - }, - "molarweight": 112.125, - "m": 3.17631, - "sigma": 4.02573, - "epsilon_k": 266.85123 - }, - { - "identifier": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "molarweight": 120.071, - "m": 3.55153, - "sigma": 3.72398, - "epsilon_k": 262.58452 - }, - { - "identifier": { - "cas": "621-71-6", - "name": "decanoic acid 1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(decanoyloxy)propyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC", - "inchi": "InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3" - }, - "molarweight": 554.455, - "m": 11.27186, - "sigma": 4.2548, - "epsilon_k": 278.04733, - "association_sites": [ - { - "nb": 6.0 - } - ] - }, - { - "identifier": { - "cas": "7784-42-1", - "name": "arsine", - "iupac_name": "arsane", - "smiles": "[AsH3]", - "inchi": "InChI=1S/AsH3/h1H3" - }, - "molarweight": 77.945, - "m": 1.04468, - "sigma": 3.96443, - "epsilon_k": 290.02617 - }, - { - "identifier": { - "cas": "108-16-7", - "name": "1-dimethylamino-2-propanol", - "iupac_name": "1-(dimethylamino)propan-2-ol", - "smiles": "CC(O)CN(C)C", - "inchi": "InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3" - }, - "molarweight": 103.1, - "m": 3.44703, - "sigma": 3.62024, - "epsilon_k": 262.8723, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2013.97126 - } - ] - }, - { - "identifier": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "molarweight": 104.064, - "m": 4.54615, - "sigma": 3.15341, - "epsilon_k": 194.5729, - "mu": 0.81, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "112-92-5", - "name": "1-octadecanol", - "iupac_name": "octadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3" - }, - "molarweight": 270.292, - "m": 7.13973, - "sigma": 4.03896, - "epsilon_k": 273.24096, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00165, - "epsilon_k_ab": 3153.70404 - } - ] - }, - { - "identifier": { - "cas": "2551-62-4", - "name": "sulfur hexafluoride", - "iupac_name": "hexafluoro-lambda6-sulfane", - "smiles": "FS(F)(F)(F)(F)F", - "inchi": "InChI=1S/F6S/c1-7(2,3,4,5)6" - }, - "molarweight": 145.962, - "m": 2.50486, - "sigma": 3.31977, - "epsilon_k": 160.81886 - }, - { - "identifier": { - "cas": "100-60-7", - "name": "n-methylcyclohexylamine", - "iupac_name": "n-methylcyclohexanamine", - "smiles": "CNC1CCCCC1", - "inchi": "InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3" - }, - "molarweight": 113.12, - "m": 2.07071, - "sigma": 4.5, - "epsilon_k": 337.85621, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03507, - "epsilon_k_ab": 1477.42568 - } - ] - }, - { - "identifier": { - "cas": "540-67-0", - "name": "methyl ethyl ether", - "iupac_name": "methoxyethane", - "smiles": "CCOC", - "inchi": "InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3" - }, - "molarweight": 60.058, - "m": 2.70452, - "sigma": 3.35445, - "epsilon_k": 213.00357, - "mu": 1.23, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1074-43-7", - "name": "m-propyltoluene", - "iupac_name": "1-methyl-3-propylbenzene", - "smiles": "CCCc1cccc(C)c1", - "inchi": "InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3" - }, - "molarweight": 134.11, - "m": 3.73005, - "sigma": 3.8616, - "epsilon_k": 284.13799 - }, - { - "identifier": { - "cas": "1604-34-8", - "name": "6,10-dimethyl-2-undecanone", - "iupac_name": "6,10-dimethylundecan-2-one", - "smiles": "CC(=O)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3" - }, - "molarweight": 198.198, - "m": 6.04072, - "sigma": 3.79145, - "epsilon_k": 252.86412, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "135-01-3", - "name": "1,2-diethylbenzene", - "iupac_name": "1,2-diethylbenzene", - "smiles": "CCc1ccccc1CC", - "inchi": "InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3" - }, - "molarweight": 134.11, - "m": 3.76372, - "sigma": 3.82328, - "epsilon_k": 284.31432 - }, - { - "identifier": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3" - }, - "molarweight": 172.183, - "m": 5.33243, - "sigma": 3.79741, - "epsilon_k": 263.14708, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00233, - "epsilon_k_ab": 2834.87537 - } - ] - }, - { - "identifier": { - "cas": "96-34-4", - "name": "methyl chloroacetate", - "iupac_name": "methyl 2-chloroacetate", - "smiles": "COC(=O)CCl", - "inchi": "InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3" - }, - "molarweight": 107.998, - "m": 4.02247, - "sigma": 3.0774, - "epsilon_k": 252.89659, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "molarweight": 88.052, - "m": 3.26636, - "sigma": 3.39012, - "epsilon_k": 241.43453, - "mu": 1.9, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "102-82-9", - "name": "tributylamine", - "iupac_name": "n,n-dibutylbutan-1-amine", - "smiles": "CCCCN(CCCC)CCCC", - "inchi": "InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3" - }, - "molarweight": 185.214, - "m": 5.20053, - "sigma": 3.9714, - "epsilon_k": 247.64819, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "541-02-6", - "name": "decamethylcyclopentasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3" - }, - "molarweight": 370.094, - "m": 6.96787, - "sigma": 4.17068, - "epsilon_k": 207.83461, - "mu": 1.35, - "association_sites": [ - { - "nb": 5.0 - } - ] - }, - { - "identifier": { - "cas": "1462-03-9", - "name": "1-methylcyclopentanol", - "iupac_name": "1-methylcyclopentan-1-ol", - "smiles": "CC1(O)CCCC1", - "inchi": "InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3" - }, - "molarweight": 100.089, - "m": 4.47637, - "sigma": 3.20867, - "epsilon_k": 234.80544, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3251.41079 - } - ] - }, - { - "identifier": { - "cas": "124-68-5", - "name": "2-amino-2-methyl-1-propanol (amp)", - "iupac_name": "2-amino-2-methylpropan-1-ol", - "smiles": "CC(C)(N)CO", - "inchi": "InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3" - }, - "molarweight": 89.084, - "m": 3.15443, - "sigma": 3.52393, - "epsilon_k": 255.14007, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.02336, - "epsilon_k_ab": 1782.26459 - } - ] - }, - { - "identifier": { - "cas": "62108-41-2", - "name": "2-methoxy-2,4,4-trimethylpentane", - "iupac_name": "2-methoxy-2,4,4-trimethylpentane", - "smiles": "COC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C9H20O/c1-8(2,3)7-9(4,5)10-6/h7H2,1-6H3" - }, - "molarweight": 144.151, - "m": 4.44174, - "sigma": 3.76602, - "epsilon_k": 233.62925, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "593-74-8", - "name": "dimethylmercury", - "iupac_name": "dimethylmercury", - "smiles": "[CH3].[CH3].[Hg]", - "inchi": "InChI=1S/2CH3.Hg/h2*1H3;" - }, - "molarweight": 232.018, - "m": 1.90774, - "sigma": 3.78655, - "epsilon_k": 353.19312, - "mu": 0.65 - }, - { - "identifier": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "molarweight": 90.068, - "m": 4.36714, - "sigma": 3.08777, - "epsilon_k": 234.20027, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "102-36-3", - "name": "3,4-dichlorophenylisocyanate", - "iupac_name": "1,2-dichloro-4-isocyanatobenzene", - "smiles": "O=C=Nc1ccc(Cl)c(Cl)c1", - "inchi": "InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H" - }, - "molarweight": 186.959, - "m": 2.12599, - "sigma": 4.5, - "epsilon_k": 453.87334, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "molarweight": 84.094, - "m": 2.50027, - "sigma": 3.85128, - "epsilon_k": 280.36899 - }, - { - "identifier": { - "cas": "90-00-6", - "name": "2-ethylphenol", - "iupac_name": "2-ethylphenol", - "smiles": "CCc1ccccc1O", - "inchi": "InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3" - }, - "molarweight": 122.073, - "m": 4.19724, - "sigma": 3.44623, - "epsilon_k": 286.62724, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3377.96343 - } - ] - }, - { - "identifier": { - "cas": "556-69-4", - "name": "octadecamethyloctasiloxane", - "iupac_name": "[dimethyl(trimethylsilyloxy)silyl]oxy-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C18H54O7Si8/c1-26(2,3)19-28(7,8)21-30(11,12)23-32(15,16)25-33(17,18)24-31(13,14)22-29(9,10)20-27(4,5)6/h1-18H3" - }, - "molarweight": 606.202, - "m": 12.24174, - "sigma": 4.16199, - "epsilon_k": 196.32126, - "association_sites": [ - { - "nb": 7.0 - } - ] - }, - { - "identifier": { - "cas": "93-55-0", - "name": "ethyl phenyl ketone", - "iupac_name": "1-phenylpropan-1-one", - "smiles": "CCC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "molarweight": 134.073, - "m": 4.95574, - "sigma": 3.33848, - "epsilon_k": 269.19831, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "597-49-9", - "name": "3-ethyl-3-pentanol", - "iupac_name": "3-ethylpentan-3-ol", - "smiles": "CCC(O)(CC)CC", - "inchi": "InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3" - }, - "molarweight": 116.12, - "m": 5.01289, - "sigma": 3.33716, - "epsilon_k": 223.02925, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0004, - "epsilon_k_ab": 2448.88819 - } - ] - }, - { - "identifier": { - "cas": "3321-50-4", - "name": "1,2-dicyclohexylethane", - "iupac_name": "2-cyclohexylethylcyclohexane", - "smiles": "C1CCC(CCC2CCCCC2)CC1", - "inchi": "InChI=1S/C14H26/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h13-14H,1-12H2" - }, - "molarweight": 194.203, - "m": 4.77855, - "sigma": 4.03219, - "epsilon_k": 294.0877 - }, - { - "identifier": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "molarweight": 144.115, - "m": 4.9882, - "sigma": 3.54206, - "epsilon_k": 237.57314, - "mu": 1.86, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "4516-69-2", - "name": "1,1,3-trimethylcyclopentane", - "iupac_name": "1,1,3-trimethylcyclopentane", - "smiles": "CC1CCC(C)(C)C1", - "inchi": "InChI=1S/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3" - }, - "molarweight": 112.125, - "m": 3.13282, - "sigma": 3.97581, - "epsilon_k": 256.31603 - }, - { - "identifier": { - "cas": "76-12-0", - "name": "1,1,2,2-tetrachloro-1,2-difluoroethane [r112]", - "iupac_name": "1,1,2,2-tetrachloro-1,2-difluoroethane", - "smiles": "FC(Cl)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8" - }, - "molarweight": 201.872, - "m": 3.21681, - "sigma": 3.66966, - "epsilon_k": 248.97891 - }, - { - "identifier": { - "cas": "114000-79-2", - "name": "2,4,6-trimethyloctadecane", - "smiles": "CCCCCCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C21H44/c1-6-7-8-9-10-11-12-13-14-15-16-20(4)18-21(5)17-19(2)3/h19-21H,6-18H2,1-5H3" - }, - "molarweight": 296.344, - "m": 10.75817, - "sigma": 3.61766, - "epsilon_k": 220.53992 - }, - { - "identifier": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 114.104, - "m": 3.94757, - "sigma": 3.62582, - "epsilon_k": 251.77395, - "mu": 2.5, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "535-77-3", - "name": "3-isopropyltoluene", - "iupac_name": "1-methyl-3-propan-2-ylbenzene", - "smiles": "Cc1cccc(C(C)C)c1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3" - }, - "molarweight": 134.11, - "m": 3.57105, - "sigma": 3.91576, - "epsilon_k": 286.2197 - }, - { - "identifier": { - "cas": "589-53-7", - "name": "4-methylheptane", - "iupac_name": "4-methylheptane", - "smiles": "CCCC(C)CCC", - "inchi": "InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3" - }, - "molarweight": 114.141, - "m": 3.62643, - "sigma": 3.88212, - "epsilon_k": 244.25758 - }, - { - "identifier": { - "cas": "552-30-7", - "name": "1,2,4-benzenetricarboxylic anhydride", - "iupac_name": "1,3-dioxo-2-benzofuran-5-carboxylic acid", - "smiles": "O=C(O)c1ccc2c(c1)C(=O)OC2=O", - "inchi": "InChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)" - }, - "molarweight": 192.006, - "m": 2.16266, - "sigma": 4.5, - "epsilon_k": 379.38625, - "association_sites": [ - { - "na": 1.0, - "nb": 4.0, - "kappa_ab": 0.00328, - "epsilon_k_ab": 5000.0 - } - ] - }, - { - "identifier": { - "cas": "7784-34-1", - "name": "arsenic trichloride", - "iupac_name": "trichloroarsane", - "smiles": "Cl[As](Cl)Cl", - "inchi": "InChI=1S/AsCl3/c2-1(3)4" - }, - "molarweight": 179.828, - "m": 2.91417, - "sigma": 3.40134, - "epsilon_k": 301.02485, - "mu": 1.6 - }, - { - "identifier": { - "cas": "25117-37-7", - "name": "5-methylheneicosane", - "iupac_name": "5-methylhenicosane", - "smiles": "CCCCCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C22H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-22(3)20-7-5-2/h22H,4-21H2,1-3H3" - }, - "molarweight": 310.36, - "m": 8.82608, - "sigma": 3.9618, - "epsilon_k": 253.10523 - }, - { - "identifier": { - "cas": "562-49-2", - "name": "3,3-dimethylpentane", - "iupac_name": "3,3-dimethylpentane", - "smiles": "CCC(C)(C)CC", - "inchi": "InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3" - }, - "molarweight": 100.125, - "m": 2.83955, - "sigma": 4.04878, - "epsilon_k": 257.23007 - }, - { - "identifier": { - "cas": "25117-32-2", - "name": "5-methyltetradecane", - "iupac_name": "5-methyltetradecane", - "smiles": "CCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C15H32/c1-4-6-8-9-10-11-12-14-15(3)13-7-5-2/h15H,4-14H2,1-3H3" - }, - "molarweight": 212.25, - "m": 5.84363, - "sigma": 4.02882, - "epsilon_k": 258.55325 - }, - { - "identifier": { - "cas": "539-82-2", - "name": "ethyl valerate", - "iupac_name": "ethyl pentanoate", - "smiles": "CCCCC(=O)OCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3" - }, - "molarweight": 130.099, - "m": 4.45471, - "sigma": 3.54323, - "epsilon_k": 238.21995, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "355-17-9", - "name": "1,1,1,2,2,3,3-heptafluoropentan-4-one", - "iupac_name": "3,3,4,4,5,5,5-heptafluoropentan-2-one", - "smiles": "CC(=O)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5H3F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h1H3" - }, - "molarweight": 212.007, - "m": 4.49078, - "sigma": 3.41006, - "epsilon_k": 189.55245, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1759-53-1", - "name": "cyclopropanecarboxylic acid", - "iupac_name": "cyclopropanecarboxylic acid", - "smiles": "O=C(O)C1CC1", - "inchi": "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" - }, - "molarweight": 86.037, - "m": 5.2811, - "sigma": 2.74919, - "epsilon_k": 251.09198, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00172, - "epsilon_k_ab": 2132.13444 - } - ] - }, - { - "identifier": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "molarweight": 141.928, - "m": 1.8307, - "sigma": 3.55359, - "epsilon_k": 307.85266, - "mu": 1.62 - }, - { - "identifier": { - "cas": "14850-22-7", - "name": "cis-3-octene", - "iupac_name": "(z)-oct-3-ene", - "smiles": "CC/C=C\\CCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5-" - }, - "molarweight": 112.125, - "m": 3.25207, - "sigma": 3.99479, - "epsilon_k": 263.47258 - }, - { - "identifier": { - "cas": "488-23-3", - "name": "1,2,3,4-tetramethylbenzene", - "iupac_name": "1,2,3,4-tetramethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1C", - "inchi": "InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3" - }, - "molarweight": 134.11, - "m": 3.67876, - "sigma": 3.83744, - "epsilon_k": 302.84898 - }, - { - "identifier": { - "cas": "3875-51-2", - "name": "isopropylcyclopentane", - "iupac_name": "propan-2-ylcyclopentane", - "smiles": "CC(C)C1CCCC1", - "inchi": "InChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 112.125, - "m": 2.92875, - "sigma": 4.04986, - "epsilon_k": 283.74552 - }, - { - "identifier": { - "cas": "18720-66-6", - "name": "6-methyl-3-heptanol", - "iupac_name": "6-methylheptan-3-ol", - "smiles": "CCC(O)CCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-4-8(9)6-5-7(2)3/h7-9H,4-6H2,1-3H3" - }, - "molarweight": 130.136, - "m": 2.51349, - "sigma": 4.5, - "epsilon_k": 334.2126, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2713.91691 - } - ] - }, - { - "identifier": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "molarweight": 102.104, - "m": 3.44898, - "sigma": 3.70437, - "epsilon_k": 223.19069, - "mu": 1.22, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "92-51-3", - "name": "bicyclohexyl", - "iupac_name": "cyclohexylcyclohexane", - "smiles": "C1CCC(C2CCCCC2)CC1", - "inchi": "InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2" - }, - "molarweight": 166.172, - "m": 3.77434, - "sigma": 4.13231, - "epsilon_k": 313.68814 - }, - { - "identifier": { - "cas": "61868-08-4", - "name": "2,4-dimethylhexadecane", - "smiles": "CCCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C18H38/c1-5-6-7-8-9-10-11-12-13-14-15-18(4)16-17(2)3/h17-18H,5-16H2,1-4H3" - }, - "molarweight": 254.297, - "m": 9.85593, - "sigma": 3.5461, - "epsilon_k": 217.7381 - }, - { - "identifier": { - "cas": "112-15-2", - "name": "diethylene glycol monoethyl ether acetate", - "iupac_name": "2-(2-ethoxyethoxy)ethyl acetate", - "smiles": "CCOCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3" - }, - "molarweight": 176.105, - "m": 5.07778, - "sigma": 3.61687, - "epsilon_k": 259.75485, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "55000-53-8", - "name": "1,4-dimethyl-5-octylnaphthalene", - "iupac_name": "1,4-dimethyl-5-octylnaphthalene", - "smiles": "CCCCCCCCc1cccc2c(C)ccc(C)c12", - "inchi": "InChI=1S/C20H28/c1-4-5-6-7-8-9-11-18-12-10-13-19-16(2)14-15-17(3)20(18)19/h10,12-15H,4-9,11H2,1-3H3" - }, - "molarweight": 268.219, - "m": 6.74693, - "sigma": 3.93047, - "epsilon_k": 300.50964 - }, - { - "identifier": { - "cas": "638-02-8", - "name": "2,5-dimethyl thiophene", - "iupac_name": "2,5-dimethylthiophene", - "smiles": "Cc1ccc(C)s1", - "inchi": "InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "molarweight": 112.035, - "m": 3.0963, - "sigma": 3.68992, - "epsilon_k": 289.08392, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "678-18-2", - "name": "1,1,1,2,2,3,3,4,4-nonafluorohexan-5-one", - "iupac_name": "3,3,4,4,5,5,6,6,6-nonafluorohexan-2-one", - "smiles": "CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6H3F9O/c1-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3" - }, - "molarweight": 262.004, - "m": 4.65057, - "sigma": 3.57439, - "epsilon_k": 196.04455, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "molarweight": 102.068, - "m": 1.83264, - "sigma": 4.30863, - "epsilon_k": 425.29843, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00034, - "epsilon_k_ab": 2622.56993 - } - ] - }, - { - "identifier": { - "cas": "1708-29-8", - "name": "2,5-dihydrofuran", - "iupac_name": "2,5-dihydrofuran", - "smiles": "C1=CCOC1", - "inchi": "InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2" - }, - "molarweight": 70.042, - "m": 2.86634, - "sigma": 3.23145, - "epsilon_k": 254.1119, - "mu": 1.54, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "6004-38-2", - "name": "tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "tricyclo[5.2.1.02,6]decane", - "smiles": "C1CC2C3CCC(C3)C2C1", - "inchi": "InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2" - }, - "molarweight": 136.125, - "m": 3.72024, - "sigma": 3.78104, - "epsilon_k": 287.94753 - }, - { - "identifier": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "molarweight": 85.053, - "m": 3.84421, - "sigma": 3.07804, - "epsilon_k": 310.44804, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 1037.8027 - } - ] - }, - { - "identifier": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "molarweight": 116.12, - "m": 3.45444, - "sigma": 3.85157, - "epsilon_k": 240.98121, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "605-02-7", - "name": "1-phenylnaphthalene", - "iupac_name": "1-phenylnaphthalene", - "smiles": "c1ccc(-c2cccc3ccccc23)cc1", - "inchi": "InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H" - }, - "molarweight": 204.094, - "m": 4.67811, - "sigma": 3.87973, - "epsilon_k": 341.50457 - }, - { - "identifier": { - "cas": "53716-82-8", - "name": "(1s,5r)-6,8-dioxabicyclo(3.2.1)octan-4-one", - "iupac_name": "(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one", - "smiles": "O=C1CC[C@H]2CO[C@@H]1O2", - "inchi": "InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1" - }, - "molarweight": 128.047, - "m": 3.66204, - "sigma": 3.42079, - "epsilon_k": 329.22522, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "1560-96-9", - "name": "2-methyltridecane", - "iupac_name": "2-methyltridecane", - "smiles": "CCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C14H30/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h14H,4-13H2,1-3H3" - }, - "molarweight": 198.235, - "m": 5.74411, - "sigma": 3.97091, - "epsilon_k": 254.45835 - }, - { - "identifier": { - "cas": "25117-35-5", - "name": "5-methyloctadecane", - "iupac_name": "5-methyloctadecane", - "smiles": "CCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C19H40/c1-4-6-8-9-10-11-12-13-14-15-16-18-19(3)17-7-5-2/h19H,4-18H2,1-3H3" - }, - "molarweight": 268.313, - "m": 6.36898, - "sigma": 4.23289, - "epsilon_k": 274.12516 - }, - { - "identifier": { - "cas": "100-49-2", - "name": "cyclohexylmethanol", - "iupac_name": "cyclohexylmethanol", - "smiles": "OCC1CCCCC1", - "inchi": "InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2" - }, - "molarweight": 114.104, - "m": 1.99225, - "sigma": 4.5, - "epsilon_k": 360.64164, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0019, - "epsilon_k_ab": 3230.87905 - } - ] - }, - { - "identifier": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "molarweight": 199.852, - "m": 2.70087, - "sigma": 3.94651, - "epsilon_k": 329.71162, - "mu": 0.92 - }, - { - "identifier": { - "cas": "929-06-6", - "name": "diglycolamine (dga)", - "iupac_name": "2-(2-aminoethoxy)ethanol", - "smiles": "NCCOCCO", - "inchi": "InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2" - }, - "molarweight": 105.079, - "m": 4.85542, - "sigma": 3.0962, - "epsilon_k": 270.97591, - "association_sites": [ - { - "na": 2.0, - "nb": 3.0, - "kappa_ab": 0.03137, - "epsilon_k_ab": 1052.47173 - } - ] - }, - { - "identifier": { - "cas": "698-87-3", - "name": "1-phenyl-2-propanol", - "iupac_name": "1-phenylpropan-2-ol", - "smiles": "CC(O)Cc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3" - }, - "molarweight": 136.089, - "m": 4.22894, - "sigma": 3.59632, - "epsilon_k": 290.903, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2957.40741 - } - ] - }, - { - "identifier": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "molarweight": 69.058, - "m": 2.88184, - "sigma": 3.46741, - "epsilon_k": 252.19399, - "mu": 4.07, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "100-46-9", - "name": "alpha-aminotoluene", - "iupac_name": "phenylmethanamine", - "smiles": "NCc1ccccc1", - "inchi": "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2" - }, - "molarweight": 107.073, - "m": 1.79989, - "sigma": 4.5, - "epsilon_k": 418.10833, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00625, - "epsilon_k_ab": 2088.27465 - } - ] - }, - { - "identifier": { - "cas": "1116-76-3", - "name": "trioctylamine", - "iupac_name": "n,n-dioctyloctan-1-amine", - "smiles": "CCCCCCCCN(CCCCCCCC)CCCCCCCC", - "inchi": "InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3" - }, - "molarweight": 353.402, - "m": 9.70525, - "sigma": 3.98243, - "epsilon_k": 247.57669, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2016-42-4", - "name": "tetradecylamine", - "iupac_name": "tetradecan-1-amine", - "smiles": "CCCCCCCCCCCCCCN", - "inchi": "InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3" - }, - "molarweight": 213.246, - "m": 6.21996, - "sigma": 3.91016, - "epsilon_k": 266.61283, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3188.34288 - } - ] - }, - { - "identifier": { - "cas": "75-44-5", - "name": "phosgene", - "iupac_name": "carbonyl dichloride", - "smiles": "O=C(Cl)Cl", - "inchi": "InChI=1S/CCl2O/c2-1(3)4" - }, - "molarweight": 97.933, - "m": 2.34255, - "sigma": 3.33572, - "epsilon_k": 235.74718, - "mu": 1.17, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "616-12-6", - "name": "trans-3-methyl-2-pentene", - "iupac_name": "(e)-3-methylpent-2-ene", - "smiles": "C/C=C(\\C)CC", - "inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+" - }, - "molarweight": 84.094, - "m": 3.14153, - "sigma": 3.65787, - "epsilon_k": 235.53289 - }, - { - "identifier": { - "cas": "628-92-2", - "name": "cycloheptene", - "iupac_name": "cycloheptene", - "smiles": "C1=CCCCCC1", - "inchi": "InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2" - }, - "molarweight": 96.094, - "m": 2.67566, - "sigma": 3.88601, - "epsilon_k": 295.17757 - }, - { - "identifier": { - "cas": "2207-01-4", - "name": "cis-1,2-dimethylcyclohexane", - "iupac_name": "(1s,2r)-1,2-dimethylcyclohexane", - "smiles": "C[C@@H]1CCCC[C@@H]1C", - "inchi": "InChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+" - }, - "molarweight": 112.125, - "m": 2.70932, - "sigma": 4.12773, - "epsilon_k": 299.99157 - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "molarweight": 86.11, - "m": 2.65457, - "sigma": 3.9786, - "epsilon_k": 240.54294 - }, - { - "identifier": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "molarweight": 76.052, - "m": 3.96671, - "sigma": 2.98708, - "epsilon_k": 241.41087, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.103, - "epsilon_k_ab": 1467.04116 - } - ] - }, - { - "identifier": { - "cas": "1076-43-3", - "name": "perdeuterobenzene", - "iupac_name": "1,2,3,4,5,6-hexadeuteriobenzene", - "smiles": "[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D" - }, - "molarweight": 78.047, - "m": 2.44213, - "sigma": 3.55753, - "epsilon_k": 290.5826 - }, - { - "identifier": { - "cas": "7364-19-4", - "name": "p-tert-butyl ethylbenzene", - "iupac_name": "1-tert-butyl-4-ethylbenzene", - "smiles": "CCc1ccc(C(C)(C)C)cc1", - "inchi": "InChI=1S/C12H18/c1-5-10-6-8-11(9-7-10)12(2,3)4/h6-9H,5H2,1-4H3" - }, - "molarweight": 162.141, - "m": 4.04781, - "sigma": 4.01048, - "epsilon_k": 286.77295 - }, - { - "identifier": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "molarweight": 118.055, - "m": 2.74132, - "sigma": 3.91077, - "epsilon_k": 309.79483, - "mu": 2.24 - }, - { - "identifier": { - "cas": "106-73-0", - "name": "methyl heptanoate", - "iupac_name": "methyl heptanoate", - "smiles": "CCCCCCC(=O)OC", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3" - }, - "molarweight": 144.115, - "m": 4.91979, - "sigma": 3.54784, - "epsilon_k": 239.95355, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "628-96-6", - "name": "1,2-ethanediol dinitrate", - "iupac_name": "2-nitrooxyethyl nitrate", - "smiles": "O=[N+]([O-])OCCO[N+](=O)[O-]", - "inchi": "InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2" - }, - "molarweight": 152.007, - "m": 5.48695, - "sigma": 2.95302, - "epsilon_k": 250.09099, - "mu": 3.57, - "association_sites": [ - { - "nb": 6.0 - } - ] - }, - { - "identifier": { - "cas": "629-19-6", - "name": "di-n-propyl disulfide", - "iupac_name": "1-(propyldisulfanyl)propane", - "smiles": "CCCSSCCC", - "inchi": "InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 150.054, - "m": 3.54984, - "sigma": 3.94756, - "epsilon_k": 300.73476, - "mu": 1.98, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 136.052, - "m": 3.91645, - "sigma": 3.54898, - "epsilon_k": 292.90915, - "mu": 1.9, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "6117-97-1", - "name": "4-methyldodecane", - "iupac_name": "4-methyldodecane", - "smiles": "CCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3" - }, - "molarweight": 184.219, - "m": 5.37898, - "sigma": 3.95711, - "epsilon_k": 253.2865 - }, - { - "identifier": { - "cas": "353-59-3", - "name": "bromochlorodifluoromethane [r12b1]", - "iupac_name": "bromo-chloro-difluoromethane", - "smiles": "FC(F)(Cl)Br", - "inchi": "InChI=1S/CBrClF2/c2-1(3,4)5" - }, - "molarweight": 163.884, - "m": 2.20487, - "sigma": 3.63702, - "epsilon_k": 229.87484 - }, - { - "identifier": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "molarweight": 74.073, - "m": 3.42397, - "sigma": 3.31208, - "epsilon_k": 230.31248, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00622, - "epsilon_k_ab": 2290.34273 - } - ] - }, - { - "identifier": { - "cas": "112-32-3", - "name": "formic acid octyl ester", - "iupac_name": "octyl formate", - "smiles": "CCCCCCCCOC=O", - "inchi": "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3" - }, - "molarweight": 158.131, - "m": 5.05811, - "sigma": 3.64662, - "epsilon_k": 249.70825, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1192-18-3", - "name": "cis-1,2-dimethylcyclopentane", - "iupac_name": "(1s,2r)-1,2-dimethylcyclopentane", - "smiles": "C[C@@H]1CCC[C@@H]1C", - "inchi": "InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+" - }, - "molarweight": 98.11, - "m": 2.835, - "sigma": 3.89896, - "epsilon_k": 271.39519 - }, - { - "identifier": { - "cas": "128-37-0", - "name": "2,6-di-tert.butyl-4-methylphenol", - "iupac_name": "2,6-ditert-butyl-4-methylphenol", - "smiles": "Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", - "inchi": "InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3" - }, - "molarweight": 220.183, - "m": 3.76611, - "sigma": 4.5, - "epsilon_k": 316.13126, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00864, - "epsilon_k_ab": 2360.55561 - } - ] - }, - { - "identifier": { - "cas": "112-31-2", - "name": "n-decanal", - "iupac_name": "decanal", - "smiles": "CCCCCCCCCC=O", - "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3" - }, - "molarweight": 156.151, - "m": 5.17808, - "sigma": 3.6812, - "epsilon_k": 255.52727, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1789-58-8", - "name": "ethyl-dichloro-silane", - "iupac_name": "dichloro-ethylsilane", - "smiles": "CC[SiH](Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-2-5(3)4/h5H,2H2,1H3" - }, - "molarweight": 127.962, - "m": 2.58638, - "sigma": 3.89478, - "epsilon_k": 268.41885 - }, - { - "identifier": { - "cas": "141-63-9", - "name": "dodecamethylpentasiloxane", - "iupac_name": "bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3" - }, - "molarweight": 384.146, - "m": 6.73076, - "sigma": 4.4374, - "epsilon_k": 218.08777, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "molarweight": 103.964, - "m": 2.17546, - "sigma": 3.3847, - "epsilon_k": 163.02242 - }, - { - "identifier": { - "cas": "1120-48-5", - "name": "dioctylamine", - "iupac_name": "n-octyloctan-1-amine", - "smiles": "CCCCCCCCNCCCCCCCC", - "inchi": "InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3" - }, - "molarweight": 241.277, - "m": 5.59389, - "sigma": 4.25288, - "epsilon_k": 254.23474, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.2617, - "epsilon_k_ab": 2062.82318 - } - ] - }, - { - "identifier": { - "cas": "2459-09-8", - "name": "4-pyridinecarboxylic acid, methyl ester", - "iupac_name": "methyl pyridine-4-carboxylate", - "smiles": "COC(=O)c1ccncc1", - "inchi": "InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3" - }, - "molarweight": 137.048, - "m": 4.16233, - "sigma": 3.41234, - "epsilon_k": 293.20627, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "505-22-6", - "name": "1,3-dioxane", - "iupac_name": "1,3-dioxane", - "smiles": "C1COCOC1", - "inchi": "InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2" - }, - "molarweight": 88.052, - "m": 2.54632, - "sigma": 3.57448, - "epsilon_k": 299.98979, - "mu": 2.06, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "594-70-7", - "name": "2-methyl-2-nitropropane", - "iupac_name": "2-methyl-2-nitropropane", - "smiles": "CC(C)(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3" - }, - "molarweight": 103.063, - "m": 2.77987, - "sigma": 3.75583, - "epsilon_k": 278.53109, - "mu": 3.71, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "623-37-0", - "name": "3-hexanol", - "iupac_name": "hexan-3-ol", - "smiles": "CCCC(O)CC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "m": 3.15455, - "sigma": 3.81224, - "epsilon_k": 262.53841, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00241, - "epsilon_k_ab": 2651.25773 - } - ] - }, - { - "identifier": { - "cas": "628-73-9", - "name": "hexanenitrile", - "iupac_name": "hexanenitrile", - "smiles": "CCCCCC#N", - "inchi": "InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3" - }, - "molarweight": 97.089, - "m": 3.19805, - "sigma": 3.74427, - "epsilon_k": 291.06524, - "mu": 3.5, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "91-10-1", - "name": "2,6-dimethoxyphenol", - "iupac_name": "2,6-dimethoxyphenol", - "smiles": "COc1cccc(OC)c1O", - "inchi": "InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3" - }, - "molarweight": 154.063, - "m": 2.2492, - "sigma": 4.44988, - "epsilon_k": 399.51861, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.00055, - "epsilon_k_ab": 3481.43628 - } - ] - }, - { - "identifier": { - "cas": "110-27-0", - "name": "tetradecanoic acid isopropyl ester", - "iupac_name": "propan-2-yl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC(C)C", - "inchi": "InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3" - }, - "molarweight": 270.256, - "m": 6.38087, - "sigma": 4.13185, - "epsilon_k": 275.85202, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "767-58-8", - "name": "1-methylindan", - "iupac_name": "1-methyl-2,3-dihydro-1h-indene", - "smiles": "CC1CCc2ccccc21", - "inchi": "InChI=1S/C10H12/c1-8-6-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3" - }, - "molarweight": 132.094, - "m": 3.02652, - "sigma": 4.02584, - "epsilon_k": 327.72511 - }, - { - "identifier": { - "cas": "7133-46-2", - "name": "dicyclohexyl sulfide", - "iupac_name": "cyclohexylsulfanylcyclohexane", - "smiles": "C1CCC(SC2CCCCC2)CC1", - "inchi": "InChI=1S/C12H22S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2" - }, - "molarweight": 198.144, - "m": 4.22194, - "sigma": 4.11056, - "epsilon_k": 323.15938, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "6294-31-1", - "name": "dihexyl sulfide", - "iupac_name": "1-hexylsulfanylhexane", - "smiles": "CCCCCCSCCCCCC", - "inchi": "InChI=1S/C12H26S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 202.176, - "m": 5.81289, - "sigma": 3.86146, - "epsilon_k": 263.71683, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "25117-30-0", - "name": "4-methyldocosane", - "iupac_name": "4-methyldocosane", - "smiles": "CCCCCCCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C23H48/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-5-2/h23H,4-22H2,1-3H3" - }, - "molarweight": 324.376, - "m": 9.24895, - "sigma": 3.95643, - "epsilon_k": 252.43422 - }, - { - "identifier": { - "cas": "625-60-5", - "name": "ethyl thioacetate", - "iupac_name": "s-ethyl ethanethioate", - "smiles": "CCSC(C)=O", - "inchi": "InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "molarweight": 104.03, - "m": 2.93082, - "sigma": 3.65805, - "epsilon_k": 283.07672, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "352-32-9", - "name": "4-fluorotoluene", - "iupac_name": "1-fluoro-4-methylbenzene", - "smiles": "Cc1ccc(F)cc1", - "inchi": "InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "molarweight": 110.053, - "m": 2.9496, - "sigma": 3.6922, - "epsilon_k": 279.87774, - "mu": 2.0 - }, - { - "identifier": { - "cas": "90-13-1", - "name": "1-chloronaphthalene", - "iupac_name": "1-chloronaphthalene", - "smiles": "Clc1cccc2ccccc12", - "inchi": "InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "molarweight": 162.024, - "m": 3.45738, - "sigma": 3.85248, - "epsilon_k": 353.49793, - "mu": 1.33 - }, - { - "identifier": { - "cas": "60-34-4", - "name": "methylhydrazine", - "iupac_name": "methylhydrazine", - "smiles": "CNN", - "inchi": "InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3" - }, - "molarweight": 46.053, - "m": 3.78991, - "sigma": 2.62933, - "epsilon_k": 241.97325, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "7154-79-2", - "name": "2,2,3,3-tetramethylpentane", - "iupac_name": "2,2,3,3-tetramethylpentane", - "smiles": "CCC(C)(C)C(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3" - }, - "molarweight": 128.157, - "m": 3.17527, - "sigma": 4.15862, - "epsilon_k": 276.93581 - }, - { - "identifier": { - "cas": "1120-36-1", - "name": "1-tetradecene", - "iupac_name": "tetradec-1-ene", - "smiles": "C=CCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3" - }, - "molarweight": 196.219, - "m": 5.93901, - "sigma": 3.89298, - "epsilon_k": 252.10922 - }, - { - "identifier": { - "cas": "123-29-5", - "name": "nonanoic acid ethyl ester", - "iupac_name": "ethyl nonanoate", - "smiles": "CCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3" - }, - "molarweight": 186.162, - "m": 5.75006, - "sigma": 3.71489, - "epsilon_k": 246.84461, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "593-60-2", - "name": "vinyl bromide", - "iupac_name": "bromoethene", - "smiles": "C=CBr", - "inchi": "InChI=1S/C2H3Br/c1-2-3/h2H,1H2" - }, - "molarweight": 105.942, - "m": 1.55373, - "sigma": 3.86848, - "epsilon_k": 307.67039, - "mu": 1.42 - }, - { - "identifier": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "molarweight": 155.944, - "m": 1.94206, - "sigma": 3.82267, - "epsilon_k": 319.63872, - "mu": 1.91 - }, - { - "identifier": { - "cas": "62781-99-1", - "name": "cyclopentyl formate", - "iupac_name": "cyclopentyl formate", - "smiles": "O=COC1CCCC1", - "inchi": "InChI=1S/C6H10O2/c7-5-8-6-3-1-2-4-6/h5-6H,1-4H2" - }, - "molarweight": 114.068, - "m": 3.50078, - "sigma": 3.52972, - "epsilon_k": 272.40023, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "molarweight": 75.032, - "m": 2.80936, - "sigma": 3.27449, - "epsilon_k": 259.86924, - "mu": 3.65, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1530-05-8", - "name": "1,1-diphenylheptane", - "iupac_name": "1-phenylheptylbenzene", - "smiles": "CCCCCCC(c1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C19H24/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15,19H,2-4,11,16H2,1H3" - }, - "molarweight": 252.188, - "m": 7.41801, - "sigma": 3.69684, - "epsilon_k": 263.6466 - }, - { - "identifier": { - "cas": "6303-88-4", - "name": "2,3,4,9-tetrahydro-9-methyl-1h-carbazole", - "iupac_name": "9-methyl-1,2,3,4-tetrahydrocarbazole", - "smiles": "Cn1c2c(c3ccccc31)CCCC2", - "inchi": "InChI=1S/C13H15N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,6,8H,3,5,7,9H2,1H3" - }, - "molarweight": 185.12, - "m": 4.46014, - "sigma": 3.8373, - "epsilon_k": 350.86129, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1590-87-0", - "name": "disilane", - "smiles": "[SiH3][SiH3]", - "inchi": "InChI=1S/H6Si2/c1-2/h1-2H3" - }, - "molarweight": 62.001, - "m": 1.56359, - "sigma": 3.97081, - "epsilon_k": 273.14834 - }, - { - "identifier": { - "cas": "2909-38-8", - "name": "3-chlorophenylisocyanate", - "iupac_name": "1-chloro-3-isocyanatobenzene", - "smiles": "O=C=Nc1cccc(Cl)c1", - "inchi": "InChI=1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H" - }, - "molarweight": 152.998, - "m": 3.43927, - "sigma": 3.67337, - "epsilon_k": 320.61662, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "104-87-0", - "name": "4-methylbenzaldehyde", - "iupac_name": "4-methylbenzaldehyde", - "smiles": "Cc1ccc(C=O)cc1", - "inchi": "InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3" - }, - "molarweight": 120.058, - "m": 3.44565, - "sigma": 3.66099, - "epsilon_k": 312.90201, - "mu": 3.39, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "molarweight": 128.063, - "m": 2.99317, - "sigma": 3.91168, - "epsilon_k": 354.54358 - }, - { - "identifier": { - "cas": "75-97-8", - "name": "3,3-dimethyl-2-butanone", - "iupac_name": "3,3-dimethylbutan-2-one", - "smiles": "CC(=O)C(C)(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3" - }, - "molarweight": 100.089, - "m": 2.77804, - "sigma": 3.85444, - "epsilon_k": 275.08923, - "mu": 2.75, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "13465-77-5", - "name": "hexachlorodisilane", - "iupac_name": "trichloro(trichlorosilyl)silane", - "smiles": "Cl[Si](Cl)(Cl)[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl6Si2/c1-7(2,3)8(4,5)6" - }, - "molarweight": 265.767, - "m": 3.54771, - "sigma": 4.02088, - "epsilon_k": 266.48721 - }, - { - "identifier": { - "cas": "26730-12-1", - "name": "4-methyltridecane", - "iupac_name": "4-methyltridecane", - "smiles": "CCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3" - }, - "molarweight": 198.235, - "m": 5.53, - "sigma": 4.01651, - "epsilon_k": 258.37183 - }, - { - "identifier": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "molarweight": 96.021, - "m": 3.53014, - "sigma": 3.19693, - "epsilon_k": 278.39147, - "mu": 3.36, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "818-38-2", - "name": "diethyl glutarate", - "iupac_name": "diethyl pentanedioate", - "smiles": "CCOC(=O)CCCC(=O)OCC", - "inchi": "InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3" - }, - "molarweight": 188.105, - "m": 5.94805, - "sigma": 3.49247, - "epsilon_k": 251.72235, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "354-34-7", - "name": "trifluoroacetyl fluoride", - "iupac_name": "2,2,2-trifluoroacetyl fluoride", - "smiles": "O=C(F)C(F)(F)F", - "inchi": "InChI=1S/C2F4O/c3-1(7)2(4,5)6" - }, - "molarweight": 115.989, - "m": 3.76345, - "sigma": 2.87039, - "epsilon_k": 134.60067, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "3938-95-2", - "name": "2,2-dimethylpropanoic acid ethyl ester", - "iupac_name": "ethyl 2,2-dimethylpropanoate", - "smiles": "CCOC(=O)C(C)(C)C", - "inchi": "InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3" - }, - "molarweight": 130.099, - "m": 4.02709, - "sigma": 3.66423, - "epsilon_k": 233.1494, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1066-35-9", - "name": "dimethylchloro silane", - "iupac_name": "chloro-dimethylsilane", - "smiles": "C[SiH](C)Cl", - "inchi": "InChI=1S/C2H7ClSi/c1-4(2)3/h4H,1-2H3" - }, - "molarweight": 94.001, - "m": 2.2686, - "sigma": 3.91545, - "epsilon_k": 254.88857, - "mu": 1.28 - }, - { - "identifier": { - "cas": "156-43-4", - "name": "p-phenetidine", - "iupac_name": "4-ethoxyaniline", - "smiles": "CCOc1ccc(N)cc1", - "inchi": "InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3" - }, - "molarweight": 137.084, - "m": 2.1675, - "sigma": 4.5, - "epsilon_k": 423.60162, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00285, - "epsilon_k_ab": 2506.43577 - } - ] - }, - { - "identifier": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "molarweight": 99.105, - "m": 3.52036, - "sigma": 3.43894, - "epsilon_k": 176.40836, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 1997.12363 - } - ] - }, - { - "identifier": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "smiles": "FC(F)=C(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "molarweight": 99.994, - "m": 2.72021, - "sigma": 3.08073, - "epsilon_k": 148.86756 - }, - { - "identifier": { - "cas": "622-40-2", - "name": "4-(2-hxdroxyethyl)morpholine", - "iupac_name": "2-morpholin-4-ylethanol", - "smiles": "OCCN1CCOCC1", - "inchi": "InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2" - }, - "molarweight": 131.095, - "m": 2.27045, - "sigma": 4.34494, - "epsilon_k": 415.12607, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3059.49288 - } - ] - }, - { - "identifier": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "molarweight": 90.032, - "m": 3.26747, - "sigma": 3.23875, - "epsilon_k": 253.77584, - "mu": 0.9, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "molarweight": 73.089, - "m": 2.98824, - "sigma": 3.5416, - "epsilon_k": 232.35374, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01197, - "epsilon_k_ab": 875.08525 - } - ] - }, - { - "identifier": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "molarweight": 85.053, - "m": 3.19236, - "sigma": 3.41239, - "epsilon_k": 313.12197, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "105-08-8", - "name": "1,4-cyclohexanedimethanol, cis/trans mixture", - "iupac_name": "[4-(hydroxymethyl)cyclohexyl]methanol", - "smiles": "OCC1CCC(CO)CC1", - "inchi": "InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2" - }, - "molarweight": 144.115, - "m": 3.33179, - "sigma": 3.98245, - "epsilon_k": 330.70168, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.01898, - "epsilon_k_ab": 2133.57131 - } - ] - }, - { - "identifier": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 112.008, - "m": 2.65893, - "sigma": 3.74859, - "epsilon_k": 312.77973, - "mu": 1.69 - }, - { - "identifier": { - "cas": "2652-13-3", - "name": "icosamethylnonasiloxane", - "iupac_name": "bis[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy]-dimethylsilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C20H60O8Si9/c1-29(2,3)21-31(7,8)23-33(11,12)25-35(15,16)27-37(19,20)28-36(17,18)26-34(13,14)24-32(9,10)22-30(4,5)6/h1-20H3" - }, - "molarweight": 680.221, - "m": 15.94476, - "sigma": 3.9243, - "epsilon_k": 182.30841, - "association_sites": [ - { - "nb": 8.0 - } - ] - }, - { - "identifier": { - "cas": "352-70-5", - "name": "3-fluorotoluene", - "iupac_name": "1-fluoro-3-methylbenzene", - "smiles": "Cc1cccc(F)c1", - "inchi": "InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3" - }, - "molarweight": 110.053, - "m": 2.93306, - "sigma": 3.69794, - "epsilon_k": 280.66481, - "mu": 1.86 - }, - { - "identifier": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "molarweight": 108.058, - "m": 1.7318, - "sigma": 4.5, - "epsilon_k": 433.09088, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00222, - "epsilon_k_ab": 3018.90586 - } - ] - }, - { - "identifier": { - "cas": "335-44-4", - "name": "2,2,3-trichloroheptafluorobutane", - "iupac_name": "2,2,3-trichloro-1,1,1,3,4,4,4-heptafluorobutane", - "smiles": "FC(F)(F)C(F)(Cl)C(Cl)(Cl)C(F)(F)F", - "inchi": "InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "molarweight": 285.895, - "m": 3.76296, - "sigma": 3.81802, - "epsilon_k": 226.01016 - }, - { - "identifier": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "molarweight": 90.068, - "m": 1.79257, - "sigma": 4.35475, - "epsilon_k": 397.68764, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2190.20514 - } - ] - }, - { - "identifier": { - "cas": "589-35-5", - "name": "3-methyl-1-pentanol", - "iupac_name": "3-methylpentan-1-ol", - "smiles": "CCC(C)CCO", - "inchi": "InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "m": 2.53817, - "sigma": 4.13056, - "epsilon_k": 309.18717, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00113, - "epsilon_k_ab": 2982.945 - } - ] - }, - { - "identifier": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "molarweight": 88.052, - "m": 3.60057, - "sigma": 3.27103, - "epsilon_k": 227.01764, - "mu": 1.78, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1560-86-7", - "name": "2-methylnonadecane", - "iupac_name": "2-methylnonadecane", - "smiles": "CCCCCCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C20H42/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3/h20H,4-19H2,1-3H3" - }, - "molarweight": 282.329, - "m": 9.10968, - "sigma": 3.79612, - "epsilon_k": 241.15787 - }, - { - "identifier": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "molarweight": 83.953, - "m": 2.47659, - "sigma": 3.20164, - "epsilon_k": 255.82129, - "mu": 1.6 - }, - { - "identifier": { - "cas": "10544-72-6", - "name": "dinitrogen tetroxide", - "smiles": "O=[N+]([O-])[N+](=O)[O-]", - "inchi": "InChI=1S/N2O4/c3-1(4)2(5)6" - }, - "molarweight": 91.986, - "m": 7.5424, - "sigma": 2.08934, - "epsilon_k": 138.43415, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "1638-26-2", - "name": "1,1-dimethylcyclopentane", - "iupac_name": "1,1-dimethylcyclopentane", - "smiles": "CC1(C)CCCC1", - "inchi": "InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3" - }, - "molarweight": 98.11, - "m": 2.86006, - "sigma": 3.90156, - "epsilon_k": 260.39951 - }, - { - "identifier": { - "cas": "592-50-7", - "name": "1-fluoropentane", - "iupac_name": "1-fluoropentane", - "smiles": "CCCCCF", - "inchi": "InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "molarweight": 90.084, - "m": 3.23094, - "sigma": 3.54826, - "epsilon_k": 229.49754 - }, - { - "identifier": { - "cas": "91-62-3", - "name": "6-methylquinoline", - "iupac_name": "6-methylquinoline", - "smiles": "Cc1ccc2ncccc2c1", - "inchi": "InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3" - }, - "molarweight": 143.073, - "m": 3.87924, - "sigma": 3.68119, - "epsilon_k": 332.92203, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "molarweight": 70.078, - "m": 2.62219, - "sigma": 3.69452, - "epsilon_k": 238.72745 - }, - { - "identifier": { - "cas": "112-70-9", - "name": "n-tridecanol", - "iupac_name": "tridecan-1-ol", - "smiles": "CCCCCCCCCCCCCO", - "inchi": "InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3" - }, - "molarweight": 200.214, - "m": 5.72325, - "sigma": 3.95845, - "epsilon_k": 268.69115, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00192, - "epsilon_k_ab": 2999.62581 - } - ] - }, - { - "identifier": { - "cas": "78-96-6", - "name": "isopropanolamine", - "iupac_name": "1-aminopropan-2-ol", - "smiles": "CC(O)CN", - "inchi": "InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3" - }, - "molarweight": 75.068, - "m": 1.35246, - "sigma": 4.5, - "epsilon_k": 389.00281, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.00551, - "epsilon_k_ab": 2032.33118 - } - ] - }, - { - "identifier": { - "cas": "75-94-5", - "name": "trichlorovinylsilane", - "iupac_name": "trichloro(ethenyl)silane", - "smiles": "C=C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3Si/c1-2-6(3,4)5/h2H,1H2" - }, - "molarweight": 159.907, - "m": 2.67195, - "sigma": 3.97091, - "epsilon_k": 271.64431, - "mu": 2.04 - }, - { - "identifier": { - "cas": "7719-09-7", - "name": "thionyl chloride", - "iupac_name": "thionyl dichloride", - "smiles": "O=S(Cl)Cl", - "inchi": "InChI=1S/Cl2OS/c1-4(2)3" - }, - "molarweight": 117.905, - "m": 1.94465, - "sigma": 3.68776, - "epsilon_k": 330.24619, - "mu": 1.45, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "61868-10-8", - "name": "2,4-dimethyloctadecane", - "smiles": "CCCCCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C20H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(4)18-19(2)3/h19-20H,5-18H2,1-4H3" - }, - "molarweight": 282.329, - "m": 11.88222, - "sigma": 3.43628, - "epsilon_k": 210.48195 - }, - { - "identifier": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "molarweight": 150.068, - "m": 4.24995, - "sigma": 3.61026, - "epsilon_k": 286.36288, - "mu": 1.9, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "108-98-5", - "name": "benzenethiol", - "iupac_name": "benzenethiol", - "smiles": "Sc1ccccc1", - "inchi": "InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "molarweight": 110.019, - "m": 2.48712, - "sigma": 3.90272, - "epsilon_k": 347.6038, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02456, - "epsilon_k_ab": 1214.9047 - } - ] - }, - { - "identifier": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "molarweight": 114.009, - "m": 3.20055, - "sigma": 3.20351, - "epsilon_k": 174.59547 - }, - { - "identifier": { - "cas": "103-69-5", - "name": "n-ethylaniline", - "iupac_name": "n-ethylaniline", - "smiles": "CCNc1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3" - }, - "molarweight": 121.089, - "m": 4.02668, - "sigma": 3.53371, - "epsilon_k": 292.38472, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2703.6272 - } - ] - }, - { - "identifier": { - "cas": "502-41-0", - "name": "cycloheptanol", - "iupac_name": "cycloheptanol", - "smiles": "OC1CCCCCC1", - "inchi": "InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2" - }, - "molarweight": 114.104, - "m": 6.45328, - "sigma": 2.91623, - "epsilon_k": 224.25293, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2450.38688 - } - ] - }, - { - "identifier": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "molarweight": 89.048, - "m": 2.8167, - "sigma": 3.52614, - "epsilon_k": 268.14211, - "mu": 3.73, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "4292-92-6", - "name": "n-pentylcyclohexane", - "iupac_name": "pentylcyclohexane", - "smiles": "CCCCCC1CCCCC1", - "inchi": "InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3" - }, - "molarweight": 154.172, - "m": 4.06101, - "sigma": 4.02502, - "epsilon_k": 280.19763 - }, - { - "identifier": { - "cas": "1453-24-3", - "name": "1-ethylcyclohexene", - "iupac_name": "1-ethylcyclohexene", - "smiles": "CCC1=CCCCC1", - "inchi": "InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3" - }, - "molarweight": 110.11, - "m": 3.47909, - "sigma": 3.72671, - "epsilon_k": 267.1758 - }, - { - "identifier": { - "cas": "624-29-3", - "name": "cis-1,4-dimethyl cyclohexane", - "iupac_name": "1,4-dimethylcyclohexane", - "smiles": "C[C@H]1CC[C@@H](C)CC1", - "inchi": "InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8+" - }, - "molarweight": 112.125, - "m": 2.75019, - "sigma": 4.15108, - "epsilon_k": 292.22771 - }, - { - "identifier": { - "cas": "599-64-4", - "name": "p-cumylphenol", - "iupac_name": "4-(2-phenylpropan-2-yl)phenol", - "smiles": "CC(C)(c1ccccc1)c1ccc(O)cc1", - "inchi": "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3" - }, - "molarweight": 212.12, - "m": 3.29875, - "sigma": 4.5, - "epsilon_k": 361.97711, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02678, - "epsilon_k_ab": 3004.10076 - } - ] - }, - { - "identifier": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "molarweight": 115.96, - "m": 2.45672, - "sigma": 3.62357, - "epsilon_k": 239.60133, - "mu": 2.014 - }, - { - "identifier": { - "cas": "7783-07-5", - "name": "selenium hydride", - "iupac_name": "selane", - "smiles": "[SeH2]", - "inchi": "InChI=1S/H2Se/h1H2" - }, - "molarweight": 81.932, - "m": 1.56213, - "sigma": 3.24268, - "epsilon_k": 258.38669 - }, - { - "identifier": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "molarweight": 70.003, - "m": 2.56037, - "sigma": 2.85953, - "epsilon_k": 141.05474, - "mu": 1.65 - }, - { - "identifier": { - "cas": "123-62-6", - "name": "propionic anhydride", - "iupac_name": "propanoyl propanoate", - "smiles": "CCC(=O)OC(=O)CC", - "inchi": "InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3" - }, - "molarweight": 130.063, - "m": 4.45131, - "sigma": 3.39969, - "epsilon_k": 250.35148, - "mu": 3.3, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "108-64-5", - "name": "ethyl isovalerate", - "iupac_name": "ethyl 3-methylbutanoate", - "smiles": "CCOC(=O)CC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3" - }, - "molarweight": 130.099, - "m": 4.38421, - "sigma": 3.56216, - "epsilon_k": 232.56613, - "mu": 1.97, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "98-06-6", - "name": "tert-butylbenzene", - "iupac_name": "tert-butylbenzene", - "smiles": "CC(C)(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" - }, - "molarweight": 134.11, - "m": 3.54993, - "sigma": 3.91102, - "epsilon_k": 282.96496 - }, - { - "identifier": { - "cas": "624-48-6", - "name": "dimethylmaleate", - "iupac_name": "dimethyl (z)-but-2-enedioate", - "smiles": "COC(=O)/C=C\\C(=O)OC", - "inchi": "InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-" - }, - "molarweight": 144.042, - "m": 5.26744, - "sigma": 3.19369, - "epsilon_k": 254.5675, - "mu": 2.48, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "78-82-0", - "name": "isobutyronitrile", - "iupac_name": "2-methylpropanenitrile", - "smiles": "CC(C)C#N", - "inchi": "InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3" - }, - "molarweight": 69.058, - "m": 2.86622, - "sigma": 3.4857, - "epsilon_k": 233.12537, - "mu": 4.29, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "930-28-9", - "name": "chloro cyclopentane", - "iupac_name": "chlorocyclopentane", - "smiles": "ClC1CCCC1", - "inchi": "InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2" - }, - "molarweight": 104.039, - "m": 2.88777, - "sigma": 3.63855, - "epsilon_k": 284.97726 - }, - { - "identifier": { - "cas": "506-30-9", - "name": "arachidic acid", - "iupac_name": "icosanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)" - }, - "molarweight": 312.303, - "m": 8.73436, - "sigma": 3.89804, - "epsilon_k": 266.93786, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00463, - "epsilon_k_ab": 3405.5317 - } - ] - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 142.172, - "m": 4.6267, - "sigma": 3.84109, - "epsilon_k": 244.92287 - }, - { - "identifier": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "molarweight": 68.063, - "m": 2.29725, - "sigma": 3.66273, - "epsilon_k": 267.52314 - }, - { - "identifier": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "molarweight": 76.052, - "m": 1.27353, - "sigma": 4.5, - "epsilon_k": 425.83652, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0043, - "epsilon_k_ab": 2591.96455 - } - ] - }, - { - "identifier": { - "cas": "95-57-8", - "name": "o-chlorophenol", - "iupac_name": "2-chlorophenol", - "smiles": "Oc1ccccc1Cl", - "inchi": "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H" - }, - "molarweight": 128.003, - "m": 3.3498, - "sigma": 3.4928, - "epsilon_k": 306.49192, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1924.66697 - } - ] - }, - { - "identifier": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "molarweight": 27.995, - "m": 1.32286, - "sigma": 3.24532, - "epsilon_k": 91.17087 - }, - { - "identifier": { - "cas": "758-96-3", - "name": "n,n-dimethyl propanoic acid amide", - "iupac_name": "n,n-dimethylpropanamide", - "smiles": "CCC(=O)N(C)C", - "inchi": "InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3" - }, - "molarweight": 101.084, - "m": 4.15632, - "sigma": 3.30827, - "epsilon_k": 273.01954, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "molarweight": 86.073, - "m": 3.19277, - "sigma": 3.54508, - "epsilon_k": 254.58394, - "mu": 2.6, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "107771-01-7", - "name": "2,4,6-trimethylundecane", - "smiles": "CCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C14H30/c1-6-7-8-9-13(4)11-14(5)10-12(2)3/h12-14H,6-11H2,1-5H3" - }, - "molarweight": 198.235, - "m": 6.27627, - "sigma": 3.81733, - "epsilon_k": 229.94787 - }, - { - "identifier": { - "cas": "1569-69-3", - "name": "cyclohexanethiol", - "iupac_name": "cyclohexanethiol", - "smiles": "SC1CCCCC1", - "inchi": "InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "molarweight": 116.066, - "m": 2.62873, - "sigma": 4.02278, - "epsilon_k": 331.99316, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00225, - "epsilon_k_ab": 1108.49129 - } - ] - }, - { - "identifier": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "molarweight": 134.11, - "m": 3.43052, - "sigma": 3.97298, - "epsilon_k": 290.97705 - }, - { - "identifier": { - "cas": "112-63-0", - "name": "(z,z)-9,12-octadecadienoic acid methyl ester", - "iupac_name": "methyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-" - }, - "molarweight": 294.256, - "m": 7.963, - "sigma": 3.9006, - "epsilon_k": 262.34149, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "110-49-6", - "name": "ethylene glycol acetate monomethyl ether", - "iupac_name": "2-methoxyethyl acetate", - "smiles": "COCCOC(C)=O", - "inchi": "InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3" - }, - "molarweight": 118.063, - "m": 5.00381, - "sigma": 3.14689, - "epsilon_k": 228.89345, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "molarweight": 100.125, - "m": 3.11223, - "sigma": 3.93843, - "epsilon_k": 240.15511 - }, - { - "identifier": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "molarweight": 99.989, - "m": 2.4678, - "sigma": 3.4692, - "epsilon_k": 201.39327, - "mu": 2.14 - }, - { - "identifier": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "molarweight": 95.953, - "m": 2.30034, - "sigma": 3.50157, - "epsilon_k": 274.52945 - }, - { - "identifier": { - "cas": "628-29-5", - "name": "methyl butyl sulfide", - "iupac_name": "1-methylsulfanylbutane", - "smiles": "CCCCSC", - "inchi": "InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "molarweight": 104.066, - "m": 3.2739, - "sigma": 3.69774, - "epsilon_k": 268.67725, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "molarweight": 106.055, - "m": 3.10434, - "sigma": 3.72056, - "epsilon_k": 262.99476, - "mu": 2.16 - }, - { - "identifier": { - "cas": "99914-84-8", - "name": "2-(1,2-dimethylpropyl)-5,6-dimethyl-2-heptenal", - "smiles": "CC(C)C(C)CC=C(C=O)C(C)C(C)C", - "inchi": "InChI=1S/C14H26O/c1-10(2)12(5)7-8-14(9-15)13(6)11(3)4/h8-13H,7H2,1-6H3" - }, - "molarweight": 210.198, - "m": 5.40446, - "sigma": 3.97504, - "epsilon_k": 270.07525, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "122-52-1", - "name": "triethoxyphosphine", - "iupac_name": "triethyl phosphite", - "smiles": "CCOP(OCC)OCC", - "inchi": "InChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3" - }, - "molarweight": 166.076, - "m": 4.73721, - "sigma": 3.64024, - "epsilon_k": 234.14407, - "mu": 1.8, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "6065-59-4", - "name": "diethyl ester pentylpropanedioic acid", - "iupac_name": "diethyl 2-pentylpropanedioate", - "smiles": "CCCCCC(C(=O)OCC)C(=O)OCC", - "inchi": "InChI=1S/C12H22O4/c1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3/h10H,4-9H2,1-3H3" - }, - "molarweight": 230.152, - "m": 8.45375, - "sigma": 3.35349, - "epsilon_k": 214.62221, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "308-48-5", - "name": "perfluoro-di-n-butylether", - "iupac_name": "1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18O/c9-1(10,5(17,18)19)3(13,14)7(23,24)27-8(25,26)4(15,16)2(11,12)6(20,21)22" - }, - "molarweight": 453.966, - "m": 5.78975, - "sigma": 3.81566, - "epsilon_k": 177.9356, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3" - }, - "molarweight": 268.313, - "m": 8.17602, - "sigma": 3.87621, - "epsilon_k": 249.28432 - }, - { - "identifier": { - "cas": "679-86-7", - "name": "1,1,2,2,3-pentafluoropropane [r245ca]", - "iupac_name": "1,1,2,2,3-pentafluoropropane", - "smiles": "FCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H3F5/c4-1-3(7,8)2(5)6/h2H,1H2" - }, - "molarweight": 134.015, - "m": 3.58945, - "sigma": 3.17112, - "epsilon_k": 191.93072, - "mu": 1.74 - }, - { - "identifier": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "molarweight": 102.032, - "m": 4.12031, - "sigma": 3.13815, - "epsilon_k": 247.8918, - "mu": 2.79706, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "2530-83-8", - "name": "trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane", - "iupac_name": "trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane", - "smiles": "CO[Si](CCCOCC1CO1)(OC)OC", - "inchi": "InChI=1S/C9H20O5Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3" - }, - "molarweight": 236.108, - "m": 6.69225, - "sigma": 3.57089, - "epsilon_k": 248.84645, - "association_sites": [ - { - "nb": 5.0 - } - ] - }, - { - "identifier": { - "cas": "61868-06-2", - "name": "2,4-dimethyltetradecane", - "iupac_name": "2,4-dimethyltetradecane", - "smiles": "CCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C16H34/c1-5-6-7-8-9-10-11-12-13-16(4)14-15(2)3/h15-16H,5-14H2,1-4H3" - }, - "molarweight": 226.266, - "m": 6.90581, - "sigma": 3.87092, - "epsilon_k": 239.81844 - }, - { - "identifier": { - "cas": "14924-53-9", - "name": "ethyl ester cyclobutanecarboxylic acid", - "iupac_name": "ethyl cyclobutanecarboxylate", - "smiles": "CCOC(=O)C1CCC1", - "inchi": "InChI=1S/C7H12O2/c1-2-9-7(8)6-4-3-5-6/h6H,2-5H2,1H3" - }, - "molarweight": 128.084, - "m": 4.03969, - "sigma": 3.54565, - "epsilon_k": 257.34034, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2050-60-4", - "name": "dibutyl oxalate", - "iupac_name": "dibutyl oxalate", - "smiles": "CCCCOC(=O)C(=O)OCCCC", - "inchi": "InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 202.121, - "m": 6.02673, - "sigma": 3.60949, - "epsilon_k": 255.21388, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "molarweight": 130.099, - "m": 4.60041, - "sigma": 3.50236, - "epsilon_k": 236.22568, - "mu": 1.75, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "4914-89-0", - "name": "cis-3-methyl-3-hexene", - "iupac_name": "(z)-3-methylhex-3-ene", - "smiles": "CC/C=C(/C)CC", - "inchi": "InChI=1S/C7H14/c1-4-6-7(3)5-2/h6H,4-5H2,1-3H3/b7-6-" - }, - "molarweight": 98.11, - "m": 3.40918, - "sigma": 3.74143, - "epsilon_k": 240.73157 - }, - { - "identifier": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "molarweight": 93.058, - "m": 2.87335, - "sigma": 3.61236, - "epsilon_k": 305.86255, - "mu": 2.6, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "375-83-7", - "name": "1-hydroperfluoroheptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane", - "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7HF15/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H" - }, - "molarweight": 369.984, - "m": 5.38359, - "sigma": 3.65413, - "epsilon_k": 184.32924 - }, - { - "identifier": { - "cas": "4427-96-7", - "name": "vinylethylene carbonate", - "iupac_name": "4-ethenyl-1,3-dioxolan-2-one", - "smiles": "C=CC1COC(=O)O1", - "inchi": "InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2" - }, - "molarweight": 114.032, - "m": 4.8871, - "sigma": 3.03148, - "epsilon_k": 292.57068, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "molarweight": 90.05, - "m": 3.03562, - "sigma": 3.59981, - "epsilon_k": 258.53433, - "mu": 1.54, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2530-87-2", - "name": "3-chloropropyltrimethyoxysilane", - "iupac_name": "3-chloropropyl(trimethoxy)silane", - "smiles": "CO[Si](CCCCl)(OC)OC", - "inchi": "InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3" - }, - "molarweight": 198.048, - "m": 5.06562, - "sigma": 3.66481, - "epsilon_k": 249.80363, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "592-57-4", - "name": "1,3-cyclohexadiene", - "iupac_name": "cyclohexa-1,3-diene", - "smiles": "C1=CCCC=C1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2" - }, - "molarweight": 80.063, - "m": 2.42601, - "sigma": 3.74483, - "epsilon_k": 288.24559 - }, - { - "identifier": { - "cas": "636-72-6", - "name": "2-(hydroxymethyl)-thiophene", - "iupac_name": "thiophen-2-ylmethanol", - "smiles": "OCc1cccs1", - "inchi": "InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "molarweight": 114.014, - "m": 4.16804, - "sigma": 3.19577, - "epsilon_k": 296.26814, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2842.48293 - } - ] - }, - { - "identifier": { - "cas": "112-44-7", - "name": "undecanaldehyde", - "iupac_name": "undecanal", - "smiles": "CCCCCCCCCCC=O", - "inchi": "InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3" - }, - "molarweight": 170.167, - "m": 6.37762, - "sigma": 3.50815, - "epsilon_k": 239.01984, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "592-13-2", - "name": "2,5-dimethylhexane", - "iupac_name": "2,5-dimethylhexane", - "smiles": "CC(C)CCC(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 114.141, - "m": 3.55926, - "sigma": 3.92102, - "epsilon_k": 240.5764 - }, - { - "identifier": { - "cas": "628-41-1", - "name": "1,4-cyclohexadiene", - "iupac_name": "cyclohexa-1,4-diene", - "smiles": "C1=CCC=CC1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2" - }, - "molarweight": 80.063, - "m": 2.591, - "sigma": 3.63991, - "epsilon_k": 285.76392 - }, - { - "identifier": { - "cas": "111-71-7", - "name": "heptanal", - "iupac_name": "heptanal", - "smiles": "CCCCCCC=O", - "inchi": "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3" - }, - "molarweight": 114.104, - "m": 3.34262, - "sigma": 3.83567, - "epsilon_k": 281.1678, - "mu": 2.58, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "629-45-8", - "name": "5,6-dithiadecane", - "iupac_name": "1-(butyldisulfanyl)butane", - "smiles": "CCCCSSCCCC", - "inchi": "InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 178.085, - "m": 4.37993, - "sigma": 3.9329, - "epsilon_k": 288.10826, - "mu": 2.09, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "molarweight": 100.089, - "m": 3.5625, - "sigma": 3.57429, - "epsilon_k": 260.8682, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "558-37-2", - "name": "3,3-dimethyl-1-butene", - "iupac_name": "3,3-dimethylbut-1-ene", - "smiles": "C=CC(C)(C)C", - "inchi": "InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3" - }, - "molarweight": 84.094, - "m": 2.60925, - "sigma": 3.94179, - "epsilon_k": 237.06988 - }, - { - "identifier": { - "cas": "118-93-4", - "name": "2'-hydroxyacetophenone", - "iupac_name": "1-(2-hydroxyphenyl)ethanone", - "smiles": "CC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3" - }, - "molarweight": 136.052, - "m": 3.11993, - "sigma": 3.84571, - "epsilon_k": 335.67947, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0322, - "epsilon_k_ab": 1154.32373 - } - ] - }, - { - "identifier": { - "cas": "542-28-9", - "name": "tetrahydropyran-2-one", - "iupac_name": "oxan-2-one", - "smiles": "O=C1CCCCO1", - "inchi": "InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2" - }, - "molarweight": 100.052, - "m": 2.93944, - "sigma": 3.56991, - "epsilon_k": 377.7964, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "692-49-9", - "name": "(z)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(z)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C\\C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1-" - }, - "molarweight": 164.006, - "m": 4.70545, - "sigma": 3.08281, - "epsilon_k": 172.02424 - }, - { - "identifier": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "molarweight": 88.052, - "m": 3.50937, - "sigma": 3.28854, - "epsilon_k": 232.26809, - "mu": 1.7, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "molarweight": 116.084, - "m": 4.10988, - "sigma": 3.48087, - "epsilon_k": 235.72041, - "mu": 1.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - }, - "molarweight": 84.094, - "m": 2.95813, - "sigma": 3.75296, - "epsilon_k": 241.79835 - }, - { - "identifier": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "molarweight": 90.068, - "m": 2.37052, - "sigma": 3.86457, - "epsilon_k": 336.36802, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.00963, - "epsilon_k_ab": 2414.81877 - } - ] - }, - { - "identifier": { - "cas": "335-65-9", - "name": "1h-perfluorooctane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane", - "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8HF17/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H" - }, - "molarweight": 419.981, - "m": 5.59176, - "sigma": 3.76477, - "epsilon_k": 190.9998 - }, - { - "identifier": { - "cas": "931-88-4", - "name": "cyclooctene ", - "iupac_name": "cyclooctene", - "smiles": "C1=CCCCCCC1", - "inchi": "InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2" - }, - "molarweight": 110.11, - "m": 2.66008, - "sigma": 4.06819, - "epsilon_k": 318.39691 - }, - { - "identifier": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "molarweight": 120.058, - "m": 3.51297, - "sigma": 3.60957, - "epsilon_k": 310.07321, - "mu": 3.0, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "61827-87-0", - "name": "3-ethylpseudocumene", - "iupac_name": "2-ethyl-1,3,4-trimethylbenzene", - "smiles": "CCc1c(C)ccc(C)c1C", - "inchi": "InChI=1S/C11H16/c1-5-11-9(3)7-6-8(2)10(11)4/h6-7H,5H2,1-4H3" - }, - "molarweight": 148.125, - "m": 4.91672, - "sigma": 3.58961, - "epsilon_k": 261.25797 - }, - { - "identifier": { - "cas": "310-71-4", - "name": "2-chloro-1,1,2-trifluoroethylethyl ether", - "iupac_name": "2-chloro-1-ethoxy-1,1,2-trifluoroethane", - "smiles": "CCOC(F)(F)C(F)Cl", - "inchi": "InChI=1S/C4H6ClF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3" - }, - "molarweight": 162.006, - "m": 4.13159, - "sigma": 3.3972, - "epsilon_k": 215.27423, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "635-11-0", - "name": "1,2,4,5-tetrakis(1-methylethyl)benzene", - "iupac_name": "1,2,4,5-tetra(propan-2-yl)benzene", - "smiles": "CC(C)c1cc(C(C)C)c(C(C)C)cc1C(C)C", - "inchi": "InChI=1S/C18H30/c1-11(2)15-9-17(13(5)6)18(14(7)8)10-16(15)12(3)4/h9-14H,1-8H3" - }, - "molarweight": 246.235, - "m": 6.20828, - "sigma": 3.98815, - "epsilon_k": 249.77819 - }, - { - "identifier": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "molarweight": 78.024, - "m": 2.32462, - "sigma": 3.65984, - "epsilon_k": 248.20394, - "mu": 2.17 - }, - { - "identifier": { - "cas": "111-41-1", - "name": "n-(2-aminoethyl)ethanolamine", - "iupac_name": "2-(2-aminoethylamino)ethanol", - "smiles": "NCCNCCO", - "inchi": "InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2" - }, - "molarweight": 104.095, - "m": 1.81544, - "sigma": 4.5, - "epsilon_k": 388.94976, - "association_sites": [ - { - "na": 3.0, - "nb": 3.0, - "kappa_ab": 0.00583, - "epsilon_k_ab": 1962.86684 - } - ] - }, - { - "identifier": { - "cas": "630-18-2", - "name": "2,2-dimethylpropionitrile", - "iupac_name": "2,2-dimethylpropanenitrile", - "smiles": "CC(C)(C)C#N", - "inchi": "InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3" - }, - "molarweight": 83.073, - "m": 2.98099, - "sigma": 3.65941, - "epsilon_k": 245.50033, - "mu": 3.95, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "molarweight": 169.931, - "m": 2.7784, - "sigma": 3.64165, - "epsilon_k": 202.49941 - }, - { - "identifier": { - "cas": "1691-17-4", - "name": "oxybis(difluoromethane)", - "iupac_name": "difluoromethoxy(difluoro)methane", - "smiles": "FC(F)OC(F)F", - "inchi": "InChI=1S/C2H2F4O/c3-1(4)7-2(5)6/h1-2H" - }, - "molarweight": 118.004, - "m": 3.40285, - "sigma": 3.06523, - "epsilon_k": 184.81506, - "mu": 1.74, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "90-04-0", - "name": "o-anisidine", - "iupac_name": "2-methoxyaniline", - "smiles": "COc1ccccc1N", - "inchi": "InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3" - }, - "molarweight": 123.068, - "m": 4.04557, - "sigma": 3.42518, - "epsilon_k": 305.82867, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2988.56172 - } - ] - }, - { - "identifier": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "molarweight": 121.089, - "m": 3.7614, - "sigma": 3.60691, - "epsilon_k": 295.95329, - "mu": 1.6, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "338-83-0", - "name": "perfluoro-n,n-bis-propyl-1-propanamine", - "iupac_name": "1,1,2,2,3,3,3-heptafluoro-n,n-bis(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24" - }, - "molarweight": 520.97, - "m": 6.20798, - "sigma": 3.82976, - "epsilon_k": 185.60985, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "molarweight": 130.136, - "m": 3.43095, - "sigma": 4.04911, - "epsilon_k": 287.13533, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00239, - "epsilon_k_ab": 2998.54369 - } - ] - }, - { - "identifier": { - "cas": "123-05-7", - "name": "2-ethylhexanaldehyde", - "iupac_name": "2-ethylhexanal", - "smiles": "CCCCC(C=O)CC", - "inchi": "InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 128.12, - "m": 3.62992, - "sigma": 3.88462, - "epsilon_k": 274.89537, - "mu": 2.64, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "molarweight": 86.037, - "m": 3.08311, - "sigma": 3.36762, - "epsilon_k": 250.74352, - "mu": 1.77, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "96-24-2", - "name": "3-chloro-1,2-propanediol", - "iupac_name": "3-chloropropane-1,2-diol", - "smiles": "OCC(O)CCl", - "inchi": "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2" - }, - "molarweight": 110.013, - "m": 3.15401, - "sigma": 3.29795, - "epsilon_k": 153.38396, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0807, - "epsilon_k_ab": 2819.56437 - } - ] - }, - { - "identifier": { - "cas": "544-40-1", - "name": "dibutylsulfide", - "iupac_name": "1-butylsulfanylbutane", - "smiles": "CCCCSCCCC", - "inchi": "InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 146.113, - "m": 3.53849, - "sigma": 4.08612, - "epsilon_k": 293.65259, - "mu": 1.6, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "molarweight": 132.094, - "m": 3.2666, - "sigma": 3.89672, - "epsilon_k": 327.28548 - }, - { - "identifier": { - "cas": "13151-35-4", - "name": "5-methyldecane", - "iupac_name": "5-methyldecane", - "smiles": "CCCCCC(C)CCCC", - "inchi": "InChI=1S/C11H24/c1-4-6-8-10-11(3)9-7-5-2/h11H,4-10H2,1-3H3" - }, - "molarweight": 156.188, - "m": 4.30195, - "sigma": 4.05521, - "epsilon_k": 260.66453 - }, - { - "identifier": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "molarweight": 72.058, - "m": 3.15915, - "sigma": 3.34711, - "epsilon_k": 234.75179, - "mu": 2.72, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "682-01-9", - "name": "propyl silicate", - "iupac_name": "tetrapropyl silicate", - "smiles": "CCCO[Si](OCCC)(OCCC)OCCC", - "inchi": "InChI=1S/C12H28O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-12H2,1-4H3" - }, - "molarweight": 264.176, - "m": 7.16233, - "sigma": 3.80407, - "epsilon_k": 218.61918, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "528-29-0", - "name": "o-dinitrobenzene", - "iupac_name": "1,2-dinitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1[N+](=O)[O-]", - "inchi": "InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H" - }, - "molarweight": 168.017, - "m": 3.31871, - "sigma": 3.78661, - "epsilon_k": 355.00665, - "mu": 6.3, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "5500-21-0", - "name": "cyclopropyl cyanide", - "iupac_name": "cyclopropanecarbonitrile", - "smiles": "N#CC1CC1", - "inchi": "InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2" - }, - "molarweight": 67.042, - "m": 2.54287, - "sigma": 3.45745, - "epsilon_k": 291.46878, - "mu": 3.75, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "307-45-9", - "name": "perfluorodecane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C10F22/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32" - }, - "molarweight": 537.965, - "m": 6.3228, - "sigma": 3.85218, - "epsilon_k": 190.43719 - }, - { - "identifier": { - "cas": "104-55-2", - "name": "cinnamaldehyde ", - "iupac_name": "(e)-3-phenylprop-2-enal", - "smiles": "O=CC=Cc1ccccc1", - "inchi": "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H" - }, - "molarweight": 132.058, - "m": 4.56164, - "sigma": 3.33575, - "epsilon_k": 304.2789, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "830-13-7", - "name": "cyclododecanone", - "iupac_name": "cyclododecanone", - "smiles": "O=C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2" - }, - "molarweight": 182.167, - "m": 3.9384, - "sigma": 4.12604, - "epsilon_k": 331.43702, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1012-72-2", - "name": "1,4-bis(1,1-dimethylethyl)benzene", - "iupac_name": "1,4-ditert-butylbenzene", - "smiles": "CC(C)(C)c1ccc(C(C)(C)C)cc1", - "inchi": "InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3" - }, - "molarweight": 190.172, - "m": 4.90129, - "sigma": 3.95794, - "epsilon_k": 271.45198 - }, - { - "identifier": { - "cas": "7803-51-2", - "name": "phosphorous trihydride ", - "iupac_name": "phosphane", - "smiles": "P", - "inchi": "InChI=1S/H3P/h1H3" - }, - "molarweight": 33.997, - "m": 1.15022, - "sigma": 3.73668, - "epsilon_k": 238.93667, - "mu": 0.58 - }, - { - "identifier": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "molarweight": 96.019, - "m": 2.56573, - "sigma": 3.44587, - "epsilon_k": 177.11097, - "mu": 2.45 - }, - { - "identifier": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 88.089, - "m": 3.18136, - "sigma": 3.62362, - "epsilon_k": 258.53327, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00381, - "epsilon_k_ab": 2593.30289 - } - ] - }, - { - "identifier": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "molarweight": 134.11, - "m": 3.6872, - "sigma": 3.88563, - "epsilon_k": 286.52262 - }, - { - "identifier": { - "cas": "17453-93-9", - "name": "5-methyldodecane", - "iupac_name": "5-methyldodecane", - "smiles": "CCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C13H28/c1-4-6-8-9-10-12-13(3)11-7-5-2/h13H,4-12H2,1-3H3" - }, - "molarweight": 184.219, - "m": 4.89267, - "sigma": 4.09248, - "epsilon_k": 263.74322 - }, - { - "identifier": { - "cas": "539-88-8", - "name": "4-oxo-pentanoic acid ethyl ester", - "iupac_name": "ethyl 4-oxopentanoate", - "smiles": "CCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3" - }, - "molarweight": 144.079, - "m": 4.58228, - "sigma": 3.50871, - "epsilon_k": 273.93752, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "527-53-7", - "name": "1,2,3,5-tetramethyl benzene", - "iupac_name": "1,2,3,5-tetramethylbenzene", - "smiles": "Cc1cc(C)c(C)c(C)c1", - "inchi": "InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3" - }, - "molarweight": 134.11, - "m": 3.78838, - "sigma": 3.81133, - "epsilon_k": 292.98213 - }, - { - "identifier": { - "cas": "57-06-7", - "name": "allyl isothiocyanate", - "iupac_name": "3-isothiocyanatoprop-1-ene", - "smiles": "C=CCN=C=S", - "inchi": "InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2" - }, - "molarweight": 99.014, - "m": 2.62321, - "sigma": 3.73506, - "epsilon_k": 335.16731, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "644-49-5", - "name": "propyl isobutyrate", - "iupac_name": "propyl 2-methylpropanoate", - "smiles": "CCCOC(=O)C(C)C", - "inchi": "InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3" - }, - "molarweight": 130.099, - "m": 4.26309, - "sigma": 3.59836, - "epsilon_k": 235.84188, - "mu": 1.89, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "98-55-5", - "name": "p-menth-1-en-8-ol", - "iupac_name": "2-(4-methylcyclohex-3-en-1-yl)propan-2-ol", - "smiles": "CC1=CCC(C(C)(C)O)CC1", - "inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3" - }, - "molarweight": 154.136, - "m": 3.71465, - "sigma": 4.00628, - "epsilon_k": 305.0386, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3469.2903 - } - ] - }, - { - "identifier": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "molarweight": 122.073, - "m": 4.6755, - "sigma": 3.31694, - "epsilon_k": 271.41395, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3081.76465 - } - ] - }, - { - "identifier": { - "cas": "1067-42-1", - "name": "tetrabutylgermane", - "iupac_name": "tetrabutylgermane", - "smiles": "CCCC[Ge](CCCC)(CCCC)CCCC", - "inchi": "InChI=1S/C16H36Ge/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3" - }, - "molarweight": 302.203, - "m": 7.47881, - "sigma": 3.90292, - "epsilon_k": 237.25775 - }, - { - "identifier": { - "cas": "4606-07-9", - "name": "ethyl cyclopropanecarboxylate", - "iupac_name": "ethyl cyclopropanecarboxylate", - "smiles": "CCOC(=O)C1CC1", - "inchi": "InChI=1S/C6H10O2/c1-2-8-6(7)5-3-4-5/h5H,2-4H2,1H3" - }, - "molarweight": 114.068, - "m": 3.69511, - "sigma": 3.5026, - "epsilon_k": 259.75975, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "molarweight": 144.115, - "m": 4.30318, - "sigma": 3.74007, - "epsilon_k": 251.37323, - "mu": 2.05, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "463-40-1", - "name": "linolenic acid", - "iupac_name": "(9z,12z,15z)-octadeca-9,12,15-trienoic acid", - "smiles": "CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-" - }, - "molarweight": 278.225, - "m": 6.52426, - "sigma": 4.11208, - "epsilon_k": 304.22167, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00206, - "epsilon_k_ab": 3789.84501 - } - ] - }, - { - "identifier": { - "cas": "306-94-5", - "name": "perfluorodecalin ", - "iupac_name": "1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene", - "smiles": "FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F", - "inchi": "InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16" - }, - "molarweight": 461.971, - "m": 4.72481, - "sigma": 4.00419, - "epsilon_k": 220.63716 - }, - { - "identifier": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "molarweight": 101.12, - "m": 3.9759, - "sigma": 3.48282, - "epsilon_k": 157.89563, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 1770.79743 - } - ] - }, - { - "identifier": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "molarweight": 88.089, - "m": 2.53801, - "sigma": 3.91423, - "epsilon_k": 269.677, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00144, - "epsilon_k_ab": 2636.1177 - } - ] - }, - { - "identifier": { - "cas": "591-96-8", - "name": "2,3-pentadiene", - "iupac_name": "penta-2,3-diene", - "smiles": "CC=C=CC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2H3" - }, - "molarweight": 68.063, - "m": 2.83396, - "sigma": 3.51896, - "epsilon_k": 238.07795 - }, - { - "identifier": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "molarweight": 208.113, - "m": 5.87157, - "sigma": 3.68177, - "epsilon_k": 212.81468, - "mu": 1.7, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "molarweight": 100.052, - "m": 3.6548, - "sigma": 3.38559, - "epsilon_k": 239.20215, - "mu": 1.6, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "514-03-4", - "name": "perfluoro-n-butyl-n-methyl-1-butanamine", - "iupac_name": "1,1,2,2,3,3,4,4,4-nonafluoro-n-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-n-(trifluoromethyl)butan-1-amine", - "smiles": "FC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C9F21N/c10-1(11,5(18,19)20)3(14,15)7(24,25)31(9(28,29)30)8(26,27)4(16,17)2(12,13)6(21,22)23" - }, - "molarweight": 520.97, - "m": 6.24075, - "sigma": 3.82358, - "epsilon_k": 187.62309, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "359-70-6", - "name": "perfluorotriethylamine", - "iupac_name": "1,1,2,2,2-pentafluoro-n,n-bis(1,1,2,2,2-pentafluoroethyl)ethanamine", - "smiles": "FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15" - }, - "molarweight": 370.979, - "m": 4.9909, - "sigma": 3.69676, - "epsilon_k": 177.52418, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "99-83-2", - "name": "alpha-phellandrene", - "iupac_name": "2-methyl-5-propan-2-ylcyclohexa-1,3-diene", - "smiles": "CC1=CCC(C(C)C)C=C1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3" - }, - "molarweight": 136.125, - "m": 3.65094, - "sigma": 3.9279, - "epsilon_k": 281.46315 - }, - { - "identifier": { - "cas": "16747-38-9", - "name": "2,3,3,4-tetramethylpentane", - "iupac_name": "2,3,3,4-tetramethylpentane", - "smiles": "CC(C)C(C)(C)C(C)C", - "inchi": "InChI=1S/C9H20/c1-7(2)9(5,6)8(3)4/h7-8H,1-6H3" - }, - "molarweight": 128.157, - "m": 3.23656, - "sigma": 4.13476, - "epsilon_k": 274.92506 - }, - { - "identifier": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "molarweight": 100.089, - "m": 2.52808, - "sigma": 3.92808, - "epsilon_k": 324.7137, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00171, - "epsilon_k_ab": 2781.12609 - } - ] - }, - { - "identifier": { - "cas": "10294-34-5", - "name": "boron trichloride", - "iupac_name": "trichloroborane", - "smiles": "ClB(Cl)Cl", - "inchi": "InChI=1S/BCl3/c2-1(3)4" - }, - "molarweight": 115.916, - "m": 2.05618, - "sigma": 3.73205, - "epsilon_k": 255.7477 - }, - { - "identifier": { - "cas": "112-17-4", - "name": "decyl acetate", - "iupac_name": "decyl acetate", - "smiles": "CCCCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3" - }, - "molarweight": 200.178, - "m": 6.49423, - "sigma": 3.65401, - "epsilon_k": 242.86719, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "86-53-3", - "name": "1-cyanonaphthalene", - "iupac_name": "naphthalene-1-carbonitrile", - "smiles": "N#Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H" - }, - "molarweight": 153.058, - "m": 3.65703, - "sigma": 3.80847, - "epsilon_k": 371.06705, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "108-44-1", - "name": "m-methylaniline", - "iupac_name": "3-methylaniline", - "smiles": "Cc1cccc(N)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" - }, - "molarweight": 107.073, - "m": 3.44585, - "sigma": 3.56396, - "epsilon_k": 320.12169, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00015, - "epsilon_k_ab": 2883.45347 - } - ] - }, - { - "identifier": { - "cas": "527-84-4", - "name": "2-isopropyltoluene", - "iupac_name": "1-methyl-2-propan-2-ylbenzene", - "smiles": "Cc1ccccc1C(C)C", - "inchi": "InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3" - }, - "molarweight": 134.11, - "m": 3.67482, - "sigma": 3.85623, - "epsilon_k": 284.24698 - }, - { - "identifier": { - "cas": "821-76-1", - "name": "1,7-dichloroheptane", - "iupac_name": "1,7-dichloroheptane", - "smiles": "ClCCCCCCCCl", - "inchi": "InChI=1S/C7H14Cl2/c8-6-4-2-1-3-5-7-9/h1-7H2" - }, - "molarweight": 168.047, - "m": 4.96676, - "sigma": 3.55318, - "epsilon_k": 269.95191 - }, - { - "identifier": { - "cas": "120-80-9", - "name": "1,2-dihydroxybenzene ", - "iupac_name": "benzene-1,2-diol", - "smiles": "Oc1ccccc1O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "molarweight": 110.037, - "m": 3.97919, - "sigma": 3.18931, - "epsilon_k": 330.12787, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.002, - "epsilon_k_ab": 1472.68371 - } - ] - }, - { - "identifier": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "molarweight": 127.903, - "m": 2.22599, - "sigma": 3.41073, - "epsilon_k": 297.84331, - "mu": 1.66 - }, - { - "identifier": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "molarweight": 104.047, - "m": 2.17754, - "sigma": 3.99934, - "epsilon_k": 351.27028, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.00191, - "epsilon_k_ab": 1741.34134 - } - ] - }, - { - "identifier": { - "cas": "55-63-0", - "name": "1,2,3-propanetriol trinitrate ", - "iupac_name": "1,3-dinitrooxypropan-2-yl nitrate", - "smiles": "O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]", - "inchi": "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2" - }, - "molarweight": 227.003, - "m": 10.66681, - "sigma": 2.61776, - "epsilon_k": 206.64887, - "mu": 3.15, - "association_sites": [ - { - "nb": 9.0 - } - ] - }, - { - "identifier": { - "cas": "589-81-1", - "name": "3-methylheptane", - "iupac_name": "3-methylheptane", - "smiles": "CCCCC(C)CC", - "inchi": "InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3" - }, - "molarweight": 114.141, - "m": 3.61455, - "sigma": 3.88542, - "epsilon_k": 245.59768 - }, - { - "identifier": { - "cas": "66804-94-2", - "name": "5-trifluoromethylperfluoro-3,6-dioxanonane", - "iupac_name": "1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,1,2,2,2-pentafluoroethoxy)propane", - "smiles": "FC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C8F18O2/c9-1(10,3(12,13)14)6(21,22)27-2(11,4(15,16)17)7(23,24)28-8(25,26)5(18,19)20" - }, - "molarweight": 469.961, - "m": 5.54404, - "sigma": 3.92896, - "epsilon_k": 177.33178, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "110-66-7", - "name": "1-pentanethiol", - "iupac_name": "pentane-1-thiol", - "smiles": "CCCCCS", - "inchi": "InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "molarweight": 104.066, - "m": 2.92309, - "sigma": 3.87121, - "epsilon_k": 284.25802, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02376, - "epsilon_k_ab": 845.14226 - } - ] - }, - { - "identifier": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "molarweight": 70.042, - "m": 3.1553, - "sigma": 3.27402, - "epsilon_k": 237.57432, - "mu": 3.67, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "623-19-8", - "name": "furfuryl propanoate", - "iupac_name": "furan-2-ylmethyl propanoate", - "smiles": "CCC(=O)OCc1ccco1", - "inchi": "InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3" - }, - "molarweight": 154.063, - "m": 5.61657, - "sigma": 3.24379, - "epsilon_k": 239.60235, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "99-09-2", - "name": "m-nitroaniline", - "iupac_name": "3-nitroaniline", - "smiles": "Nc1cccc([N+](=O)[O-])c1", - "inchi": "InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2" - }, - "molarweight": 138.043, - "m": 3.16452, - "sigma": 3.65361, - "epsilon_k": 289.8472, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.03854, - "epsilon_k_ab": 3313.70612 - } - ] - }, - { - "identifier": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "molarweight": 102.104, - "m": 3.28595, - "sigma": 3.73161, - "epsilon_k": 239.9998, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1067-20-5", - "name": "3,3-diethylpentane", - "iupac_name": "3,3-diethylpentane", - "smiles": "CCC(CC)(CC)CC", - "inchi": "InChI=1S/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3" - }, - "molarweight": 128.157, - "m": 3.24028, - "sigma": 4.14875, - "epsilon_k": 277.80264 - }, - { - "identifier": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "molarweight": 108.058, - "m": 4.16868, - "sigma": 3.28945, - "epsilon_k": 289.41029, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00052, - "epsilon_k_ab": 2624.74648 - } - ] - }, - { - "identifier": { - "cas": "993-00-0", - "name": "chloro(methyl)silane", - "iupac_name": "chloro(methyl)silane", - "smiles": "C[SiH2]Cl", - "inchi": "InChI=1S/CH5ClSi/c1-3-2/h3H2,1H3" - }, - "molarweight": 79.985, - "m": 2.33529, - "sigma": 3.59111, - "epsilon_k": 225.73987, - "mu": 1.93 - }, - { - "identifier": { - "cas": "2039-93-2", - "name": "2-phenylbutene-1", - "iupac_name": "but-1-en-2-ylbenzene", - "smiles": "C=C(CC)c1ccccc1", - "inchi": "InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3" - }, - "molarweight": 132.094, - "m": 4.42067, - "sigma": 3.56046, - "epsilon_k": 260.31433 - }, - { - "identifier": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "molarweight": 168.09, - "m": 5.61563, - "sigma": 3.47802, - "epsilon_k": 270.18282, - "mu": 3.24, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "110-12-3", - "name": "5-methyl-2-hexanone", - "iupac_name": "5-methylhexan-2-one", - "smiles": "CC(=O)CCC(C)C", - "inchi": "InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3" - }, - "molarweight": 114.104, - "m": 3.95598, - "sigma": 3.60384, - "epsilon_k": 253.74655, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "molarweight": 93.991, - "m": 2.51276, - "sigma": 3.63388, - "epsilon_k": 305.80846, - "mu": 1.98, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "75-33-2", - "name": "2-propanethiol", - "iupac_name": "propane-2-thiol", - "smiles": "CC(C)S", - "inchi": "InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3" - }, - "molarweight": 76.035, - "m": 2.32159, - "sigma": 3.74129, - "epsilon_k": 268.34785, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02156, - "epsilon_k_ab": 586.54149 - } - ] - }, - { - "identifier": { - "cas": "110-81-6", - "name": "diethyl disulfide", - "iupac_name": "(ethyldisulfanyl)ethane", - "smiles": "CCSSCC", - "inchi": "InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "molarweight": 122.022, - "m": 3.20244, - "sigma": 3.75113, - "epsilon_k": 292.98055, - "mu": 1.96, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "molarweight": 86.073, - "m": 3.28852, - "sigma": 3.50152, - "epsilon_k": 251.26088, - "mu": 2.5, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1066-40-6", - "name": "trimethylsilanol", - "iupac_name": "hydroxy(trimethyl)silane", - "smiles": "C[Si](C)(C)O", - "inchi": "InChI=1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3" - }, - "molarweight": 90.05, - "m": 1.73103, - "sigma": 4.5, - "epsilon_k": 318.3541, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00126, - "epsilon_k_ab": 2713.12926 - } - ] - }, - { - "identifier": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "molarweight": 134.094, - "m": 2.13015, - "sigma": 4.5, - "epsilon_k": 283.49161, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.005, - "epsilon_k_ab": 3215.09581 - } - ] - }, - { - "identifier": { - "cas": "626-89-1", - "name": "4-methyl-1-pentanol", - "iupac_name": "4-methylpentan-1-ol", - "smiles": "CC(C)CCCO", - "inchi": "InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "m": 3.49708, - "sigma": 3.69236, - "epsilon_k": 269.77131, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00036, - "epsilon_k_ab": 3198.82263 - } - ] - }, - { - "identifier": { - "cas": "287-27-4", - "name": "thiacyclobutane", - "iupac_name": "thietane", - "smiles": "C1CSC1", - "inchi": "InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2" - }, - "molarweight": 74.019, - "m": 2.15097, - "sigma": 3.58444, - "epsilon_k": 326.05227, - "mu": 1.85, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1074-17-5", - "name": "o-propyltoluene", - "iupac_name": "1-methyl-2-propylbenzene", - "smiles": "CCCc1ccccc1C", - "inchi": "InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3" - }, - "molarweight": 134.11, - "m": 3.73733, - "sigma": 3.84255, - "epsilon_k": 286.07653 - }, - { - "identifier": { - "cas": "661-97-2", - "name": "1,2-dichlorohexafluoropropane", - "iupac_name": "1,2-dichloro-1,1,2,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)C(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C3Cl2F6/c4-1(6,2(5,7)8)3(9,10)11" - }, - "molarweight": 219.928, - "m": 2.92332, - "sigma": 3.85802, - "epsilon_k": 215.52046 - }, - { - "identifier": { - "cas": "627-13-4", - "name": "n-propylnitrate", - "iupac_name": "propyl nitrate", - "smiles": "CCCO[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3" - }, - "molarweight": 105.043, - "m": 3.41489, - "sigma": 3.38511, - "epsilon_k": 258.72139, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "141-05-9", - "name": "diethyl maleate", - "iupac_name": "diethyl (z)-but-2-enedioate", - "smiles": "CCOC(=O)/C=C\\C(=O)OCC", - "inchi": "InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-" - }, - "molarweight": 172.074, - "m": 6.06371, - "sigma": 3.36365, - "epsilon_k": 242.80051, - "mu": 2.56, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "13550-49-7", - "name": "ammonia-d3", - "smiles": "[2H]N([2H])[2H]", - "inchi": "InChI=1S/H3N/h1H3/i/hD3" - }, - "molarweight": 17.027, - "m": 2.77559, - "sigma": 2.0918, - "epsilon_k": 129.26607, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 1233.55723 - } - ] - }, - { - "identifier": { - "cas": "558-30-5", - "name": "2,2-dimethyloxirane", - "iupac_name": "2,2-dimethyloxirane", - "smiles": "CC1(C)CO1", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3" - }, - "molarweight": 72.058, - "m": 2.93339, - "sigma": 3.36355, - "epsilon_k": 238.26391, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "molarweight": 86.037, - "m": 3.4349, - "sigma": 3.25832, - "epsilon_k": 231.07879, - "mu": 1.7, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "302-01-2", - "name": "hydrazine", - "iupac_name": "hydrazine", - "smiles": "NN", - "inchi": "InChI=1S/H4N2/c1-2/h1-2H2" - }, - "molarweight": 32.037, - "m": 3.4085, - "sigma": 2.31839, - "epsilon_k": 155.08363, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.46362, - "epsilon_k_ab": 1429.71353 - } - ] - }, - { - "identifier": { - "cas": "7803-52-3", - "name": "stibine", - "iupac_name": "stibane", - "smiles": "[H].[H].[H].[Sb]", - "inchi": "InChI=1S/Sb.3H" - }, - "molarweight": 123.927, - "m": 1.30503, - "sigma": 3.84135, - "epsilon_k": 309.98249 - }, - { - "identifier": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "molarweight": 58.042, - "m": 2.56038, - "sigma": 3.31135, - "epsilon_k": 242.9782, - "mu": 2.52, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "molarweight": 199.987, - "m": 3.62556, - "sigma": 3.40444, - "epsilon_k": 167.17625 - }, - { - "identifier": { - "cas": "509-14-8", - "name": "tetranitromethane", - "iupac_name": "tetranitromethane", - "smiles": "O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]", - "inchi": "InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13" - }, - "molarweight": 195.972, - "m": 4.00632, - "sigma": 3.40775, - "epsilon_k": 243.79856, - "association_sites": [ - { - "nb": 8.0 - } - ] - }, - { - "identifier": { - "cas": "112-88-9", - "name": "1-octadecene", - "iupac_name": "octadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3" - }, - "molarweight": 252.282, - "m": 8.74357, - "sigma": 3.69538, - "epsilon_k": 235.99113 - }, - { - "identifier": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "molarweight": 117.914, - "m": 2.50983, - "sigma": 3.43821, - "epsilon_k": 270.98618, - "mu": 1.01 - }, - { - "identifier": { - "cas": "6418-41-3", - "name": "3-methyltridecane", - "iupac_name": "3-methyltridecane", - "smiles": "CCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C14H30/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h14H,4-13H2,1-3H3" - }, - "molarweight": 198.235, - "m": 5.51058, - "sigma": 4.02287, - "epsilon_k": 260.30624 - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "molarweight": 100.125, - "m": 3.49412, - "sigma": 3.79257, - "epsilon_k": 238.11279 - }, - { - "identifier": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "molarweight": 116.084, - "m": 4.08102, - "sigma": 3.49462, - "epsilon_k": 235.4516, - "mu": 1.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "116-09-6", - "name": "1-hydroxy-2-propanone", - "iupac_name": "1-hydroxypropan-2-one", - "smiles": "CC(=O)CO", - "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3" - }, - "molarweight": 74.037, - "m": 1.0, - "sigma": 4.33019, - "epsilon_k": 138.52389, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00653, - "epsilon_k_ab": 4215.04913 - } - ] - }, - { - "identifier": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "molarweight": 135.97, - "m": 3.01737, - "sigma": 3.32343, - "epsilon_k": 184.87384 - }, - { - "identifier": { - "cas": "821-95-4", - "name": "1-undecene", - "iupac_name": "undec-1-ene", - "smiles": "C=CCCCCCCCCC", - "inchi": "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3" - }, - "molarweight": 154.172, - "m": 4.83607, - "sigma": 3.85934, - "epsilon_k": 249.31958 - }, - { - "identifier": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "molarweight": 64.008, - "m": 2.1914, - "sigma": 3.4313, - "epsilon_k": 239.009, - "mu": 2.05 - }, - { - "identifier": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "molarweight": 67.042, - "m": 2.76368, - "sigma": 3.41921, - "epsilon_k": 276.23149, - "mu": 3.4, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "4439-20-7", - "name": "n,n'-bis(2-hydroxyethyl)ethylenediamine", - "iupac_name": "2-[2-(2-hydroxyethylamino)ethylamino]ethanol", - "smiles": "OCCNCCNCCO", - "inchi": "InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2" - }, - "molarweight": 148.121, - "m": 4.38495, - "sigma": 3.65422, - "epsilon_k": 316.92695, - "association_sites": [ - { - "na": 4.0, - "nb": 4.0, - "kappa_ab": 0.01974, - "epsilon_k_ab": 1422.0951 - } - ] - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "molarweight": 42.047, - "m": 1.95306, - "sigma": 3.53847, - "epsilon_k": 207.73187 - }, - { - "identifier": { - "cas": "93-54-9", - "name": "1-phenyl-1-propanol", - "iupac_name": "1-phenylpropan-1-ol", - "smiles": "CCC(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3" - }, - "molarweight": 136.089, - "m": 3.21885, - "sigma": 3.95653, - "epsilon_k": 311.2734, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01842, - "epsilon_k_ab": 2229.55281 - } - ] - }, - { - "identifier": { - "cas": "662-35-1", - "name": "1,1,1,2,2,3,3,4-octafluorobutane [r338ccb]", - "iupac_name": "1,1,1,2,2,3,3,4-octafluorobutane", - "smiles": "FCC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H2F8/c5-1-2(6,7)3(8,9)4(10,11)12/h1H2" - }, - "molarweight": 202.003, - "m": 4.08907, - "sigma": 3.35655, - "epsilon_k": 177.45231 - }, - { - "identifier": { - "cas": "109-05-7", - "name": "2-methylpiperidine", - "iupac_name": "2-methylpiperidine", - "smiles": "CC1CCCCN1", - "inchi": "InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3" - }, - "molarweight": 99.105, - "m": 2.43311, - "sigma": 4.07332, - "epsilon_k": 300.19529, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.05202, - "epsilon_k_ab": 956.24133 - } - ] - }, - { - "identifier": { - "cas": "375-82-6", - "name": "1,1-dihydroperfluoroheptanol", - "iupac_name": "2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol", - "smiles": "OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7H3F13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h21H,1H2" - }, - "molarweight": 349.998, - "m": 5.68148, - "sigma": 3.60554, - "epsilon_k": 197.10418, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00415, - "epsilon_k_ab": 2605.40567 - } - ] - }, - { - "identifier": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "molarweight": 141.918, - "m": 2.56319, - "sigma": 3.51395, - "epsilon_k": 305.94412 - }, - { - "identifier": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "molarweight": 120.094, - "m": 3.3635, - "sigma": 3.84131, - "epsilon_k": 287.00112 - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "molarweight": 84.094, - "m": 3.00344, - "sigma": 3.74536, - "epsilon_k": 236.43528 - }, - { - "identifier": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "molarweight": 90.05, - "m": 2.76933, - "sigma": 3.72642, - "epsilon_k": 277.33086, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01109, - "epsilon_k_ab": 659.55224 - } - ] - }, - { - "identifier": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 88.089, - "m": 2.81475, - "sigma": 3.77949, - "epsilon_k": 260.74414, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00314, - "epsilon_k_ab": 2683.67172 - } - ] - }, - { - "identifier": { - "cas": "623-93-8", - "name": "5-nonanol", - "iupac_name": "nonan-5-ol", - "smiles": "CCCCC(O)CCCC", - "inchi": "InChI=1S/C9H20O/c1-3-5-7-9(10)8-6-4-2/h9-10H,3-8H2,1-2H3" - }, - "molarweight": 144.151, - "m": 6.75491, - "sigma": 3.27587, - "epsilon_k": 217.01646, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3031.99443 - } - ] - }, - { - "identifier": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "molarweight": 107.073, - "m": 2.72168, - "sigma": 3.86206, - "epsilon_k": 302.8269, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.09951, - "epsilon_k_ab": 1972.15484 - } - ] - }, - { - "identifier": { - "cas": "5343-92-0", - "name": "1,2-pentanediol", - "iupac_name": "pentane-1,2-diol", - "smiles": "CCCC(O)CO", - "inchi": "InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3" - }, - "molarweight": 104.084, - "m": 1.84674, - "sigma": 4.5, - "epsilon_k": 400.20291, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0032, - "epsilon_k_ab": 2318.50611 - } - ] - }, - { - "identifier": { - "cas": "556-24-1", - "name": "methyl isovalerate", - "iupac_name": "methyl 3-methylbutanoate", - "smiles": "COC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3" - }, - "molarweight": 116.084, - "m": 4.17748, - "sigma": 3.45285, - "epsilon_k": 230.94385, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "6863-58-7", - "name": "di-sec-butyl ether", - "iupac_name": "2-butan-2-yloxybutane", - "smiles": "CCC(C)OC(C)CC", - "inchi": "InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 130.136, - "m": 3.88483, - "sigma": 3.85808, - "epsilon_k": 237.08157, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "molarweight": 73.053, - "m": 2.92214, - "sigma": 3.33745, - "epsilon_k": 285.39167, - "mu": 3.86, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "103-71-9", - "name": "phenyl isocyanate", - "iupac_name": "isocyanatobenzene", - "smiles": "O=C=Nc1ccccc1", - "inchi": "InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H" - }, - "molarweight": 119.037, - "m": 3.04118, - "sigma": 3.68196, - "epsilon_k": 311.53357, - "mu": 2.42, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "108-41-8", - "name": "m-chlorotoluene", - "iupac_name": "1-chloro-3-methylbenzene", - "smiles": "Cc1cccc(Cl)c1", - "inchi": "InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3" - }, - "molarweight": 126.024, - "m": 3.01284, - "sigma": 3.78371, - "epsilon_k": 312.30087 - }, - { - "identifier": { - "cas": "497-26-7", - "name": "2-methyl-1,3-dioxolane", - "iupac_name": "2-methyl-1,3-dioxolane", - "smiles": "CC1OCCO1", - "inchi": "InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3" - }, - "molarweight": 88.052, - "m": 3.69001, - "sigma": 3.15282, - "epsilon_k": 230.33569, - "mu": 1.21, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "78-97-7", - "name": "2-hydroxy propionitrile", - "iupac_name": "2-hydroxypropanenitrile", - "smiles": "CC(O)C#N", - "inchi": "InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3" - }, - "molarweight": 71.037, - "m": 1.08926, - "sigma": 4.44925, - "epsilon_k": 211.0049, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00126, - "epsilon_k_ab": 4999.99998 - } - ] - }, - { - "identifier": { - "cas": "7351-61-3", - "name": "2-methyl-2-propenoic acid 3-(trichlorosilyl)propyl ester", - "iupac_name": "3-trichlorosilylpropyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCC[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C7H11Cl3O2Si/c1-6(2)7(11)12-4-3-5-13(8,9)10/h1,3-5H2,2H3" - }, - "molarweight": 259.959, - "m": 19.52397, - "sigma": 2.36654, - "epsilon_k": 155.91124, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "molarweight": 56.026, - "m": 2.52214, - "sigma": 3.255, - "epsilon_k": 232.73171, - "mu": 3.04, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "molarweight": 92.039, - "m": 2.58818, - "sigma": 3.75701, - "epsilon_k": 260.48671, - "mu": 2.1 - }, - { - "identifier": { - "cas": "10545-99-0", - "name": "sulfur dichloride", - "iupac_name": "chloro thiohypochlorite", - "smiles": "ClSCl", - "inchi": "InChI=1S/Cl2S/c1-3-2" - }, - "molarweight": 101.91, - "m": 2.11157, - "sigma": 3.40861, - "epsilon_k": 305.13997, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "molarweight": 31.042, - "m": 2.48304, - "sigma": 2.85375, - "epsilon_k": 212.82483, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.10474, - "epsilon_k_ab": 610.87229 - } - ] - }, - { - "identifier": { - "cas": "1122-60-7", - "name": "nitrocyclohexane", - "iupac_name": "nitrocyclohexane", - "smiles": "O=[N+]([O-])C1CCCCC1", - "inchi": "InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2" - }, - "molarweight": 129.079, - "m": 3.36571, - "sigma": 3.70945, - "epsilon_k": 324.88581, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "6742-54-7", - "name": "1-phenylundecane", - "iupac_name": "undecylbenzene", - "smiles": "CCCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3" - }, - "molarweight": 232.219, - "m": 6.50714, - "sigma": 3.90016, - "epsilon_k": 270.77217 - }, - { - "identifier": { - "cas": "763-69-9", - "name": "propionic acid,beta ethoxy,ethyl ester", - "iupac_name": "ethyl 3-ethoxypropanoate", - "smiles": "CCOCCC(=O)OCC", - "inchi": "InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3" - }, - "molarweight": 146.094, - "m": 4.80852, - "sigma": 3.50647, - "epsilon_k": 242.12739, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "molarweight": 242.225, - "m": 7.41351, - "sigma": 3.74564, - "epsilon_k": 248.9239, - "mu": 1.61, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "molarweight": 60.058, - "m": 3.64801, - "sigma": 3.01354, - "epsilon_k": 213.86818, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03853, - "epsilon_k_ab": 1980.96875 - } - ] - }, - { - "identifier": { - "cas": "4860-03-1", - "name": "1-chlorohexadecane", - "iupac_name": "1-chlorohexadecane", - "smiles": "CCCCCCCCCCCCCCCCCl", - "inchi": "InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3" - }, - "molarweight": 260.227, - "m": 12.20003, - "sigma": 3.21902, - "epsilon_k": 210.28436 - }, - { - "identifier": { - "cas": "14290-92-7", - "name": "ethyl-tert-butyl sulfide", - "iupac_name": "2-ethylsulfanyl-2-methylpropane", - "smiles": "CCSC(C)(C)C", - "inchi": "InChI=1S/C6H14S/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "molarweight": 118.082, - "m": 3.21331, - "sigma": 3.90645, - "epsilon_k": 264.67979, - "mu": 1.64, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "617-86-7", - "name": "triethylsilane", - "iupac_name": "triethylsilane", - "smiles": "CC[SiH](CC)CC", - "inchi": "InChI=1S/C6H16Si/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3" - }, - "molarweight": 116.102, - "m": 3.56327, - "sigma": 3.87224, - "epsilon_k": 240.79669 - }, - { - "identifier": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "molarweight": 96.058, - "m": 3.56512, - "sigma": 3.39067, - "epsilon_k": 239.39843, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "55000-55-0", - "name": "7-butyl-1-hexylnaphthalene", - "iupac_name": "7-butyl-1-hexylnaphthalene", - "smiles": "CCCCCCc1cccc2ccc(CCCC)cc12", - "inchi": "InChI=1S/C20H28/c1-3-5-7-8-11-18-12-9-13-19-15-14-17(10-6-4-2)16-20(18)19/h9,12-16H,3-8,10-11H2,1-2H3" - }, - "molarweight": 268.219, - "m": 6.59189, - "sigma": 3.98367, - "epsilon_k": 293.53713 - }, - { - "identifier": { - "cas": "4549-31-9", - "name": "1,7-dibromoheptane", - "iupac_name": "1,7-dibromoheptane", - "smiles": "BrCCCCCCCBr", - "inchi": "InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2" - }, - "molarweight": 255.946, - "m": 5.76383, - "sigma": 3.43526, - "epsilon_k": 267.6361 - }, - { - "identifier": { - "cas": "89-61-2", - "name": "2,5-dichloronitrobenzol", - "iupac_name": "1,4-dichloro-2-nitrobenzene", - "smiles": "O=[N+]([O-])c1cc(Cl)ccc1Cl", - "inchi": "InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H" - }, - "molarweight": 190.954, - "m": 3.8137, - "sigma": 3.64374, - "epsilon_k": 340.876, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "78-88-6", - "name": "2,3-dichloropropene", - "iupac_name": "2,3-dichloroprop-1-ene", - "smiles": "C=C(Cl)CCl", - "inchi": "InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2" - }, - "molarweight": 109.969, - "m": 3.05822, - "sigma": 3.38941, - "epsilon_k": 262.25539, - "mu": 1.74 - }, - { - "identifier": { - "cas": "103-76-4", - "name": "n-(2-hydroxyethyl)piperazine", - "iupac_name": "2-piperazin-1-ylethanol", - "smiles": "OCCN1CCNCC1", - "inchi": "InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2" - }, - "molarweight": 130.111, - "m": 2.96706, - "sigma": 3.98397, - "epsilon_k": 353.41088, - "association_sites": [ - { - "na": 2.0, - "nb": 3.0, - "kappa_ab": 0.00881, - "epsilon_k_ab": 1532.90456 - } - ] - }, - { - "identifier": { - "cas": "10035-10-6", - "name": "hydrogen bromide", - "iupac_name": "bromane", - "smiles": "Br", - "inchi": "InChI=1S/BrH/h1H" - }, - "molarweight": 79.926, - "m": 1.39367, - "sigma": 3.25377, - "epsilon_k": 242.22684, - "mu": 0.82 - }, - { - "identifier": { - "cas": "999-97-3", - "name": "hexamethyldisilazane", - "iupac_name": "[dimethyl-(trimethylsilylamino)silyl]methane", - "smiles": "C[Si](C)(C)N[Si](C)(C)C", - "inchi": "InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3" - }, - "molarweight": 161.106, - "m": 3.68435, - "sigma": 4.20139, - "epsilon_k": 241.78904, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0052 - } - ] - }, - { - "identifier": { - "cas": "64-04-0", - "name": "1-amino-2-phenyl-ethane", - "iupac_name": "2-phenylethanamine", - "smiles": "NCCc1ccccc1", - "inchi": "InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2" - }, - "molarweight": 121.089, - "m": 4.16377, - "sigma": 3.49019, - "epsilon_k": 274.53673, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 334.27483 - } - ] - }, - { - "identifier": { - "cas": "7642-04-8", - "name": "cis-2-octene", - "iupac_name": "(z)-oct-2-ene", - "smiles": "C/C=C\\CCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3-" - }, - "molarweight": 112.125, - "m": 3.31024, - "sigma": 3.96513, - "epsilon_k": 263.2299 - }, - { - "identifier": { - "cas": "75-26-3", - "name": "isopropyl bromide", - "iupac_name": "2-bromopropane", - "smiles": "CC(C)Br", - "inchi": "InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3" - }, - "molarweight": 121.973, - "m": 2.16309, - "sigma": 3.84311, - "epsilon_k": 281.23985, - "mu": 2.21 - }, - { - "identifier": { - "cas": "585-79-5", - "name": "m-bromonitrobenzene", - "iupac_name": "1-bromo-3-nitrobenzene", - "smiles": "O=[N+]([O-])c1cccc(Br)c1", - "inchi": "InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" - }, - "molarweight": 200.943, - "m": 3.691, - "sigma": 3.58871, - "epsilon_k": 344.22279, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "100-74-3", - "name": "4-ethylmorpholine", - "iupac_name": "4-ethylmorpholine", - "smiles": "CCN1CCOCC1", - "inchi": "InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3" - }, - "molarweight": 115.1, - "m": 3.28524, - "sigma": 3.74346, - "epsilon_k": 278.33547, - "mu": 1.45, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "77-76-9", - "name": "2,2-dimethoxypropane", - "iupac_name": "2,2-dimethoxypropane", - "smiles": "COC(C)(C)OC", - "inchi": "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3" - }, - "molarweight": 104.084, - "m": 3.54908, - "sigma": 3.53176, - "epsilon_k": 227.1587, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "3426-89-9", - "name": "phenyldichlorophosphite", - "iupac_name": "dichloro(phenoxy)phosphane", - "smiles": "ClP(Cl)Oc1ccccc1", - "inchi": "InChI=1S/C6H5Cl2OP/c7-10(8)9-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 193.946, - "m": 4.78249, - "sigma": 3.47877, - "epsilon_k": 268.65708, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "56-18-8", - "name": "bis(3-aminopropyl)amine", - "iupac_name": "n'-(3-aminopropyl)propane-1,3-diamine", - "smiles": "NCCCNCCCN", - "inchi": "InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2" - }, - "molarweight": 131.142, - "m": 2.27446, - "sigma": 4.5, - "epsilon_k": 50.0, - "association_sites": [ - { - "na": 3.0, - "nb": 3.0, - "kappa_ab": 0.05812, - "epsilon_k_ab": 2392.33892 - } - ] - }, - { - "identifier": { - "cas": "80-10-4", - "name": "dichlorodiphenylsilane", - "iupac_name": "dichloro(diphenyl)silane", - "smiles": "Cl[Si](Cl)(c1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C12H10Cl2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 251.993, - "m": 4.89593, - "sigma": 3.93899, - "epsilon_k": 311.46875, - "mu": 2.58 - }, - { - "identifier": { - "cas": "57160-72-2", - "name": "5-methylnonadecane", - "iupac_name": "5-methylnonadecane", - "smiles": "CCCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C20H42/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-20(3)18-7-5-2/h20H,4-19H2,1-3H3" - }, - "molarweight": 282.329, - "m": 7.77179, - "sigma": 4.0131, - "epsilon_k": 257.50315 - }, - { - "identifier": { - "cas": "60-01-5", - "name": "butanoic acid-1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(butanoyloxy)propyl butanoate", - "smiles": "CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC", - "inchi": "InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3" - }, - "molarweight": 302.173, - "m": 9.53809, - "sigma": 3.47201, - "epsilon_k": 231.64577, - "association_sites": [ - { - "nb": 6.0 - } - ] - }, - { - "identifier": { - "cas": "33021-02-2", - "name": "2-methyl-1-tert-butoxypropane", - "iupac_name": "2-methyl-1-[(2-methylpropan-2-yl)oxy]propane", - "smiles": "CC(C)COC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3" - }, - "molarweight": 130.136, - "m": 4.26695, - "sigma": 3.73476, - "epsilon_k": 220.20777, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "molarweight": 200.007, - "m": 3.83547, - "sigma": 3.52157, - "epsilon_k": 186.33573, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2730-62-3", - "name": "2-chloro-3,3,3-trifluoropropene", - "iupac_name": "2-chloro-3,3,3-trifluoroprop-1-ene", - "smiles": "C=C(Cl)C(F)(F)F", - "inchi": "InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2" - }, - "molarweight": 129.98, - "m": 2.6848, - "sigma": 3.59069, - "epsilon_k": 215.10285 - }, - { - "identifier": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "molarweight": 56.063, - "m": 1.9712, - "sigma": 3.84602, - "epsilon_k": 240.79304 - }, - { - "identifier": { - "cas": "513-86-0", - "name": "3-hydroxy-2-butanone", - "iupac_name": "3-hydroxybutan-2-one", - "smiles": "CC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3" - }, - "molarweight": 88.052, - "m": 1.86561, - "sigma": 4.12089, - "epsilon_k": 389.8993, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2989.63941 - } - ] - }, - { - "identifier": { - "cas": "1719-53-5", - "name": "dichlorodiethylsilane", - "iupac_name": "dichloro(diethyl)silane", - "smiles": "CC[Si](Cl)(Cl)CC", - "inchi": "InChI=1S/C4H10Cl2Si/c1-3-7(5,6)4-2/h3-4H2,1-2H3" - }, - "molarweight": 155.993, - "m": 3.32894, - "sigma": 3.90791, - "epsilon_k": 264.23698, - "mu": 2.39 - }, - { - "identifier": { - "cas": "919-31-3", - "name": "2-cyanoethyltriethoxysilane", - "iupac_name": "3-triethoxysilylpropanenitrile", - "smiles": "CCO[Si](CCC#N)(OCC)OCC", - "inchi": "InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3" - }, - "molarweight": 217.113, - "m": 5.87162, - "sigma": 3.73661, - "epsilon_k": 250.22479, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "628-17-1", - "name": "1-iodopentane", - "iupac_name": "1-iodopentane", - "smiles": "CCCCCI", - "inchi": "InChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "molarweight": 197.991, - "m": 3.58322, - "sigma": 3.6715, - "epsilon_k": 275.06121 - }, - { - "identifier": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "molarweight": 72.058, - "m": 2.98582, - "sigma": 3.39936, - "epsilon_k": 235.58738, - "mu": 3.3, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "564-02-3", - "name": "2,2,3-trimethylpentane", - "iupac_name": "2,2,3-trimethylpentane", - "smiles": "CCC(C)C(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3" - }, - "molarweight": 114.141, - "m": 3.07212, - "sigma": 4.0839, - "epsilon_k": 261.52779 - }, - { - "identifier": { - "cas": "108-82-7", - "name": "2,6-dimethyl-4-heptanol", - "iupac_name": "2,6-dimethylheptan-4-ol", - "smiles": "CC(C)CC(O)CC(C)C", - "inchi": "InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3" - }, - "molarweight": 144.151, - "m": 2.77168, - "sigma": 4.5, - "epsilon_k": 279.91148, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00178, - "epsilon_k_ab": 3475.76808 - } - ] - }, - { - "identifier": { - "cas": "77-47-4", - "name": "perchlorocyclopentadiene", - "iupac_name": "1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene", - "smiles": "ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl", - "inchi": "InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8" - }, - "molarweight": 269.813, - "m": 4.23003, - "sigma": 3.75166, - "epsilon_k": 300.98394, - "mu": 1.05 - }, - { - "identifier": { - "cas": "107-41-5", - "name": "2-methyl-2,4-pentanediol", - "iupac_name": "2-methylpentane-2,4-diol", - "smiles": "CC(O)CC(C)(C)O", - "inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" - }, - "molarweight": 118.099, - "m": 2.13221, - "sigma": 4.5, - "epsilon_k": 295.2972, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.01088, - "epsilon_k_ab": 2328.21468 - } - ] - }, - { - "identifier": { - "cas": "620-17-7", - "name": "3-ethylphenol", - "iupac_name": "3-ethylphenol", - "smiles": "CCc1cccc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3" - }, - "molarweight": 122.073, - "m": 3.98587, - "sigma": 3.51879, - "epsilon_k": 293.91226, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03197, - "epsilon_k_ab": 1678.33653 - } - ] - }, - { - "identifier": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "molarweight": 296.075, - "m": 6.09764, - "sigma": 4.02937, - "epsilon_k": 207.93704, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "307-99-3", - "name": "1h,8h-perfluorooctane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane", - "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F", - "inchi": "InChI=1S/C8H2F16/c9-1(10)3(13,14)5(17,18)7(21,22)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H" - }, - "molarweight": 401.99, - "m": 5.44332, - "sigma": 3.76792, - "epsilon_k": 202.8528 - }, - { - "identifier": { - "cas": "1814-88-6", - "name": "1,1,1,2,2-pentafluoropropane", - "iupac_name": "1,1,1,2,2-pentafluoropropane", - "smiles": "CC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3" - }, - "molarweight": 134.015, - "m": 3.1076, - "sigma": 3.39587, - "epsilon_k": 175.68124 - }, - { - "identifier": { - "cas": "95-73-8", - "name": "2,4-dichlorotoluene", - "iupac_name": "2,4-dichloro-1-methylbenzene", - "smiles": "Cc1ccc(Cl)cc1Cl", - "inchi": "InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3" - }, - "molarweight": 159.985, - "m": 3.36682, - "sigma": 3.77313, - "epsilon_k": 317.46767, - "mu": 1.95 - }, - { - "identifier": { - "cas": "6418-47-9", - "name": "3-methylheneicosane", - "iupac_name": "3-methylhenicosane", - "smiles": "CCCCCCCCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h22H,4-21H2,1-3H3" - }, - "molarweight": 310.36, - "m": 9.17236, - "sigma": 3.90739, - "epsilon_k": 249.07771 - }, - { - "identifier": { - "cas": "124-12-9", - "name": "octanenitrile", - "iupac_name": "octanenitrile", - "smiles": "CCCCCCCC#N", - "inchi": "InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3" - }, - "molarweight": 125.12, - "m": 4.07552, - "sigma": 3.74611, - "epsilon_k": 286.94506, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2216-51-5", - "name": "(1r,2s,5r)-(-)-2-isopropyl-5-methyl-cyclohexanol", - "iupac_name": "(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexan-1-ol", - "smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O", - "inchi": "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1" - }, - "molarweight": 156.151, - "m": 3.80053, - "sigma": 4.03284, - "epsilon_k": 294.34588, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00178, - "epsilon_k_ab": 2640.49485 - } - ] - }, - { - "identifier": { - "cas": "7783-66-6", - "name": "iodine fluoride ", - "iupac_name": "pentafluoro-lambda5-iodane", - "smiles": "FI(F)(F)(F)F", - "inchi": "InChI=1S/F5I/c1-6(2,3,4)5" - }, - "molarweight": 221.896, - "m": 4.47908, - "sigma": 2.71264, - "epsilon_k": 224.82944 - }, - { - "identifier": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "molarweight": 46.005, - "m": 1.83695, - "sigma": 2.97665, - "epsilon_k": 191.73238, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.60493, - "epsilon_k_ab": 2287.69614 - } - ] - }, - { - "identifier": { - "cas": "106-27-4", - "name": "isoamyl butyrate", - "iupac_name": "3-methylbutyl butanoate", - "smiles": "CCCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3" - }, - "molarweight": 158.131, - "m": 4.32649, - "sigma": 3.86864, - "epsilon_k": 257.58553, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1191-87-3", - "name": "penta ethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOCCOC", - "inchi": "InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3" - }, - "molarweight": 266.173, - "m": 4.49672, - "sigma": 4.39623, - "epsilon_k": 342.24329, - "association_sites": [ - { - "nb": 6.0 - } - ] - }, - { - "identifier": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "molarweight": 56.026, - "m": 1.41083, - "sigma": 3.946, - "epsilon_k": 453.72285, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2544.80628 - } - ] - }, - { - "identifier": { - "cas": "625-50-3", - "name": "n-ethylacetamide", - "iupac_name": "n-ethylacetamide", - "smiles": "CCN=C(C)O", - "inchi": "InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)" - }, - "molarweight": 87.068, - "m": 1.579, - "sigma": 4.5, - "epsilon_k": 475.98222, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00116, - "epsilon_k_ab": 3078.16009 - } - ] - }, - { - "identifier": { - "cas": "611-32-5", - "name": "8-methylquinoline", - "iupac_name": "8-methylquinoline", - "smiles": "Cc1cccc2cccnc12", - "inchi": "InChI=1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3" - }, - "molarweight": 143.073, - "m": 3.4651, - "sigma": 3.81371, - "epsilon_k": 346.42185, - "mu": 1.86, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "5419-55-6", - "name": "boric acid, triisopropyl ester", - "iupac_name": "tripropan-2-yl borate", - "smiles": "CC(C)OB(OC(C)C)OC(C)C", - "inchi": "InChI=1S/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3" - }, - "molarweight": 188.158, - "m": 5.27377, - "sigma": 3.83198, - "epsilon_k": 208.51683, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 146.034, - "m": 3.52315, - "sigma": 3.62229, - "epsilon_k": 237.17303, - "mu": 2.86 - }, - { - "identifier": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "molarweight": 86.037, - "m": 3.93398, - "sigma": 3.12103, - "epsilon_k": 274.19259, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00047, - "epsilon_k_ab": 2643.83687 - } - ] - }, - { - "identifier": { - "cas": "123-76-2", - "name": "levulinic acid", - "iupac_name": "4-oxopentanoic acid", - "smiles": "CC(=O)CCC(=O)O", - "inchi": "InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)" - }, - "molarweight": 116.047, - "m": 1.6668, - "sigma": 4.5, - "epsilon_k": 365.82606, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00044, - "epsilon_k_ab": 5000.0 - } - ] - }, - { - "identifier": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "molarweight": 98.019, - "m": 2.74453, - "sigma": 3.6238, - "epsilon_k": 296.88179, - "mu": 0.82, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "molarweight": 92.047, - "m": 1.77398, - "sigma": 4.12228, - "epsilon_k": 408.59876, - "association_sites": [ - { - "na": 3.0, - "nb": 3.0, - "kappa_ab": 0.01123, - "epsilon_k_ab": 2063.85002 - } - ] - }, - { - "identifier": { - "cas": "6418-45-7", - "name": "3-methylnonadecane", - "iupac_name": "3-methylnonadecane", - "smiles": "CCCCCCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h20H,4-19H2,1-3H3" - }, - "molarweight": 282.329, - "m": 8.11607, - "sigma": 3.95237, - "epsilon_k": 253.11292 - }, - { - "identifier": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "molarweight": 61.016, - "m": 2.60897, - "sigma": 3.05296, - "epsilon_k": 251.16461, - "mu": 3.46, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "21460-36-6", - "name": "1,2-propylene glycol 1-allyl ether", - "iupac_name": "1-prop-2-enoxypropan-2-ol", - "smiles": "C=CCOCC(C)O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-8-5-6(2)7/h3,6-7H,1,4-5H2,2H3" - }, - "molarweight": 116.084, - "m": 1.99316, - "sigma": 4.5, - "epsilon_k": 357.15401, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00313, - "epsilon_k_ab": 2114.14462 - } - ] - }, - { - "identifier": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "molarweight": 228.209, - "m": 4.85659, - "sigma": 4.2871, - "epsilon_k": 301.53096, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00229, - "epsilon_k_ab": 4019.06681 - } - ] - }, - { - "identifier": { - "cas": "106-43-4", - "name": "p-chlorotoluene", - "iupac_name": "1-chloro-4-methylbenzene", - "smiles": "Cc1ccc(Cl)cc1", - "inchi": "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "molarweight": 126.024, - "m": 2.99979, - "sigma": 3.79367, - "epsilon_k": 310.00326, - "mu": 2.21 - }, - { - "identifier": { - "cas": "92-94-4", - "name": "p-terphenyl", - "iupac_name": "1,4-diphenylbenzene", - "smiles": "c1ccc(-c2ccc(-c3ccccc3)cc2)cc1", - "inchi": "InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H" - }, - "molarweight": 230.11, - "m": 5.79208, - "sigma": 3.75448, - "epsilon_k": 329.83425 - }, - { - "identifier": { - "cas": "1636-39-1", - "name": "bicyclopentyl", - "iupac_name": "cyclopentylcyclopentane", - "smiles": "C1CCC(C2CCCC2)C1", - "inchi": "InChI=1S/C10H18/c1-2-6-9(5-1)10-7-3-4-8-10/h9-10H,1-8H2" - }, - "molarweight": 138.141, - "m": 3.59902, - "sigma": 3.93725, - "epsilon_k": 294.52487 - }, - { - "identifier": { - "cas": "623-21-2", - "name": "furfuryl butyrate", - "iupac_name": "furan-2-ylmethyl butanoate", - "smiles": "CCCC(=O)OCc1ccco1", - "inchi": "InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3" - }, - "molarweight": 168.079, - "m": 5.24124, - "sigma": 3.47618, - "epsilon_k": 256.19166, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "molarweight": 169.997, - "m": 3.53879, - "sigma": 3.30922, - "epsilon_k": 162.80876, - "mu": 1.46 - }, - { - "identifier": { - "cas": "594-44-5", - "name": "ethanesulfonylchloride", - "iupac_name": "ethanesulfonyl chloride", - "smiles": "CCS(=O)(=O)Cl", - "inchi": "InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3" - }, - "molarweight": 127.97, - "m": 3.1689, - "sigma": 3.47702, - "epsilon_k": 296.13297, - "mu": 3.9, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "102-76-1", - "name": "1,2,3-propanetriol-triacetate", - "iupac_name": "2,3-diacetyloxypropyl acetate", - "smiles": "CC(=O)OCC(COC(C)=O)OC(C)=O", - "inchi": "InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3" - }, - "molarweight": 218.079, - "m": 7.8274, - "sigma": 3.20052, - "epsilon_k": 234.44781, - "mu": 2.61, - "association_sites": [ - { - "nb": 6.0 - } - ] - }, - { - "identifier": { - "cas": "16647-05-5", - "name": "6,10-dimethyl-4,5,9-undecatrien-2-one", - "iupac_name": "6,10-dimethylundeca-4,5,9-trien-2-one", - "smiles": "CC(=O)CC=C=C(C)CCC=C(C)C", - "inchi": "InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7H,5,8,10H2,1-4H3" - }, - "molarweight": 192.151, - "m": 6.97965, - "sigma": 3.49178, - "epsilon_k": 236.66611, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2473-01-0", - "name": "1-nonylchloride", - "iupac_name": "1-chlorononane", - "smiles": "CCCCCCCCCCl", - "inchi": "InChI=1S/C9H19Cl/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3" - }, - "molarweight": 162.118, - "m": 4.72337, - "sigma": 3.77936, - "epsilon_k": 261.49566 - }, - { - "identifier": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "molarweight": 100.052, - "m": 3.69601, - "sigma": 3.37428, - "epsilon_k": 236.25236, - "mu": 1.73, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "molarweight": 113.946, - "m": 2.67676, - "sigma": 3.63458, - "epsilon_k": 235.40474, - "mu": 1.91 - }, - { - "identifier": { - "cas": "140-31-8", - "name": "n-(2-aminoethyl)piperazine", - "iupac_name": "2-piperazin-1-ylethanamine", - "smiles": "NCCN1CCNCC1", - "inchi": "InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2" - }, - "molarweight": 129.127, - "m": 2.215, - "sigma": 4.5, - "epsilon_k": 406.06335, - "association_sites": [ - { - "na": 2.0, - "nb": 3.0, - "kappa_ab": 0.00157, - "epsilon_k_ab": 1767.6496 - } - ] - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "molarweight": 28.031, - "m": 1.59196, - "sigma": 3.40769, - "epsilon_k": 177.32571 - }, - { - "identifier": { - "cas": "103-79-7", - "name": "phenylacetone", - "iupac_name": "1-phenylpropan-2-one", - "smiles": "CC(=O)Cc1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "molarweight": 134.073, - "m": 5.50912, - "sigma": 3.21836, - "epsilon_k": 254.93848, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "25117-28-6", - "name": "4-methyleicosane", - "iupac_name": "4-methylicosane", - "smiles": "CCCCCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C21H44/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-5-2/h21H,4-20H2,1-3H3" - }, - "molarweight": 296.344, - "m": 7.85485, - "sigma": 4.0648, - "epsilon_k": 260.8299 - }, - { - "identifier": { - "cas": "109-76-2", - "name": "1,3-diaminopropane", - "iupac_name": "propane-1,3-diamine", - "smiles": "NCCCN", - "inchi": "InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2" - }, - "molarweight": 74.084, - "m": 1.92787, - "sigma": 4.0231, - "epsilon_k": 342.73325, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.01469, - "epsilon_k_ab": 1317.29182 - } - ] - }, - { - "identifier": { - "cas": "79-05-0", - "name": "propionamide", - "iupac_name": "propanamide", - "smiles": "CCC(=N)O", - "inchi": "InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)" - }, - "molarweight": 73.053, - "m": 1.66325, - "sigma": 4.09579, - "epsilon_k": 488.99767, - "association_sites": [ - { - "na": 2.0, - "nb": 1.0, - "kappa_ab": 0.00095, - "epsilon_k_ab": 2913.43965 - } - ] - }, - { - "identifier": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "molarweight": 148.031, - "m": 4.03959, - "sigma": 3.25784, - "epsilon_k": 189.37775 - }, - { - "identifier": { - "cas": "10025-78-2", - "name": "trichlorosilane", - "iupac_name": "trichlorosilane", - "smiles": "Cl[SiH](Cl)Cl", - "inchi": "InChI=1S/Cl3HSi/c1-4(2)3/h4H" - }, - "molarweight": 133.891, - "m": 2.30746, - "sigma": 3.78481, - "epsilon_k": 252.51531, - "mu": 0.86 - }, - { - "identifier": { - "cas": "6674-22-2", - "name": "1,5-diazabicyclo[5.4.0]undec-5-ene", - "iupac_name": "2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine", - "smiles": "C1CCC2=NCCCN2CC1", - "inchi": "InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2" - }, - "molarweight": 152.131, - "m": 4.69375, - "sigma": 3.55769, - "epsilon_k": 297.33743, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "590-66-9", - "name": "1,1-dimethylcyclohexane", - "iupac_name": "1,1-dimethylcyclohexane", - "smiles": "CC1(C)CCCCC1", - "inchi": "InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3" - }, - "molarweight": 112.125, - "m": 3.11858, - "sigma": 3.9447, - "epsilon_k": 268.76032 - }, - { - "identifier": { - "cas": "626-62-0", - "name": "iodocyclohexane", - "iupac_name": "iodocyclohexane", - "smiles": "IC1CCCCC1", - "inchi": "InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "molarweight": 209.991, - "m": 2.77681, - "sigma": 4.04025, - "epsilon_k": 347.60097 - }, - { - "identifier": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "molarweight": 152.05, - "m": 4.43972, - "sigma": 3.51205, - "epsilon_k": 223.43421, - "mu": 1.74, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "molarweight": 150.068, - "m": 4.76429, - "sigma": 3.46175, - "epsilon_k": 272.27961, - "mu": 1.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "143-10-2", - "name": "1-decanethiol", - "iupac_name": "decane-1-thiol", - "smiles": "CCCCCCCCCCS", - "inchi": "InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "molarweight": 174.144, - "m": 4.18634, - "sigma": 4.14231, - "epsilon_k": 291.44017, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0067, - "epsilon_k_ab": 1959.97515 - } - ] - }, - { - "identifier": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "molarweight": 152.047, - "m": 2.91537, - "sigma": 4.03097, - "epsilon_k": 349.79274, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.01157, - "epsilon_k_ab": 1311.30975 - } - ] - }, - { - "identifier": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "molarweight": 107.073, - "m": 3.147, - "sigma": 3.69438, - "epsilon_k": 308.94165, - "mu": 2.6, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "594-56-9", - "name": "2,3,3-trimethyl-1-butene", - "iupac_name": "2,3,3-trimethylbut-1-ene", - "smiles": "C=C(C)C(C)(C)C", - "inchi": "InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3" - }, - "molarweight": 98.11, - "m": 2.72459, - "sigma": 4.04277, - "epsilon_k": 258.13756 - }, - { - "identifier": { - "cas": "294-62-2", - "name": "cyclododecane", - "iupac_name": "cyclododecane", - "smiles": "C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" - }, - "molarweight": 168.188, - "m": 3.75613, - "sigma": 4.19045, - "epsilon_k": 317.64824 - }, - { - "identifier": { - "cas": "25117-33-3", - "name": "5-methylpentadecane", - "iupac_name": "5-methylpentadecane", - "smiles": "CCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C16H34/c1-4-6-8-9-10-11-12-13-15-16(3)14-7-5-2/h16H,4-15H2,1-3H3" - }, - "molarweight": 226.266, - "m": 6.88908, - "sigma": 3.88269, - "epsilon_k": 245.99898 - }, - { - "identifier": { - "cas": "100-40-3", - "name": "4-ethenylcyclohexene", - "iupac_name": "4-ethenylcyclohexene", - "smiles": "C=CC1CC=CCC1", - "inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2" - }, - "molarweight": 108.094, - "m": 2.94019, - "sigma": 3.91368, - "epsilon_k": 287.72379 - }, - { - "identifier": { - "cas": "7438-05-3", - "name": "azidooctane", - "iupac_name": "1-azidooctane", - "smiles": "CCCCCCCCN=[N+]=[N-]", - "inchi": "InChI=1S/C8H17N3/c1-2-3-4-5-6-7-8-10-11-9/h2-8H2,1H3" - }, - "molarweight": 155.142, - "m": 5.27651, - "sigma": 3.58766, - "epsilon_k": 243.84868, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "molarweight": 114.104, - "m": 3.98679, - "sigma": 3.62233, - "epsilon_k": 254.80798, - "mu": 2.59, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "90-11-9", - "name": "1-bromonaphthalene", - "iupac_name": "1-bromonaphthalene", - "smiles": "Brc1cccc2ccccc12", - "inchi": "InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "molarweight": 205.973, - "m": 3.4325, - "sigma": 3.89799, - "epsilon_k": 369.78605, - "mu": 1.29 - }, - { - "identifier": { - "cas": "110-73-6", - "name": "mono-ethyl-ethanolamine", - "iupac_name": "2-(ethylamino)ethanol", - "smiles": "CCNCCO", - "inchi": "InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3" - }, - "molarweight": 89.084, - "m": 1.65728, - "sigma": 4.5, - "epsilon_k": 390.84346, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0064, - "epsilon_k_ab": 1805.53448 - } - ] - }, - { - "identifier": { - "cas": "2801-87-8", - "name": "4-methylpentadecane", - "iupac_name": "4-methylpentadecane", - "smiles": "CCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3" - }, - "molarweight": 226.266, - "m": 6.32064, - "sigma": 4.00597, - "epsilon_k": 256.98956 - }, - { - "identifier": { - "cas": "136-60-7", - "name": "butyl benzoate", - "iupac_name": "butyl benzoate", - "smiles": "CCCCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3" - }, - "molarweight": 178.099, - "m": 4.94338, - "sigma": 3.69356, - "epsilon_k": 282.43251, - "mu": 1.81, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "696-29-7", - "name": "isopropylcyclohexane", - "iupac_name": "propan-2-ylcyclohexane", - "smiles": "CC(C)C1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 126.141, - "m": 3.18876, - "sigma": 4.06823, - "epsilon_k": 288.91527 - }, - { - "identifier": { - "cas": "683-73-8", - "name": "ethylene-d4", - "iupac_name": "1,1,2,2-tetradeuterioethene", - "smiles": "[2H]C([2H])=C([2H])[2H]", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2/i1D2,2D2" - }, - "molarweight": 28.031, - "m": 1.56426, - "sigma": 3.27813, - "epsilon_k": 180.9977 - }, - { - "identifier": { - "cas": "629-20-9", - "name": "1,3,5,7-cyclooctatetraene", - "iupac_name": "cyclooctatetraene", - "smiles": "C1=C\\C=C/C=C\\C=C/1", - "inchi": "InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-" - }, - "molarweight": 104.063, - "m": 2.99872, - "sigma": 3.72542, - "epsilon_k": 297.47748 - }, - { - "identifier": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "molarweight": 135.989, - "m": 2.87587, - "sigma": 3.67482, - "epsilon_k": 271.7951, - "mu": 2.08 - }, - { - "identifier": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "molarweight": 92.039, - "m": 2.5634, - "sigma": 3.74811, - "epsilon_k": 263.48813, - "mu": 2.0 - }, - { - "identifier": { - "cas": "75-66-1", - "name": "2-methyl-2-propanethiol", - "iupac_name": "2-methylpropane-2-thiol", - "smiles": "CC(C)(C)S", - "inchi": "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" - }, - "molarweight": 90.05, - "m": 2.43255, - "sigma": 3.92458, - "epsilon_k": 267.04789, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00653, - "epsilon_k_ab": 873.43796 - } - ] - }, - { - "identifier": { - "cas": "57018-52-7", - "name": "1-tert-butoxy-2-propanol", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]propan-2-ol", - "smiles": "CC(O)COC(C)(C)C", - "inchi": "InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3" - }, - "molarweight": 132.115, - "m": 3.97465, - "sigma": 3.74381, - "epsilon_k": 250.94794, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00277, - "epsilon_k_ab": 1753.34913 - } - ] - }, - { - "identifier": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "molarweight": 45.021, - "m": 1.40781, - "sigma": 3.53996, - "epsilon_k": 550.0, - "association_sites": [ - { - "na": 2.0, - "nb": 1.0, - "kappa_ab": 0.00647, - "epsilon_k_ab": 2132.37665 - } - ] - }, - { - "identifier": { - "cas": "536-75-4", - "name": "4-ethylpyridine", - "iupac_name": "4-ethylpyridine", - "smiles": "CCc1ccncc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3" - }, - "molarweight": 107.073, - "m": 3.28879, - "sigma": 3.63385, - "epsilon_k": 298.3009, - "mu": 2.45, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "61868-09-5", - "name": "2,4-dimethylheptadecane", - "smiles": "CCCCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C19H40/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(4)17-18(2)3/h18-19H,5-17H2,1-4H3" - }, - "molarweight": 268.313, - "m": 10.00525, - "sigma": 3.59198, - "epsilon_k": 220.71919 - }, - { - "identifier": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "molarweight": 68.063, - "m": 2.46382, - "sigma": 3.70372, - "epsilon_k": 245.06739 - }, - { - "identifier": { - "cas": "616-21-7", - "name": "1,2-dichlorobutane", - "iupac_name": "1,2-dichlorobutane", - "smiles": "CCC(Cl)CCl", - "inchi": "InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3" - }, - "molarweight": 126.0, - "m": 2.87411, - "sigma": 3.76535, - "epsilon_k": 291.44147 - }, - { - "identifier": { - "cas": "7647-01-0", - "name": "hydrogen chloride", - "iupac_name": "chlorane", - "smiles": "Cl", - "inchi": "InChI=1S/ClH/h1H" - }, - "molarweight": 35.977, - "m": 1.59258, - "sigma": 2.93292, - "epsilon_k": 198.75943, - "mu": 1.08 - }, - { - "identifier": { - "cas": "1571-08-0", - "name": "terephthalaldehydic acid methyl ester", - "iupac_name": "methyl 4-formylbenzoate", - "smiles": "COC(=O)c1ccc(C=O)cc1", - "inchi": "InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3" - }, - "molarweight": 164.047, - "m": 4.83835, - "sigma": 3.42934, - "epsilon_k": 301.80829, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "18435-22-8", - "name": "3-methyltetradecane", - "iupac_name": "3-methyltetradecane", - "smiles": "CCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h15H,4-14H2,1-3H3" - }, - "molarweight": 212.25, - "m": 6.21121, - "sigma": 3.94377, - "epsilon_k": 253.47584 - }, - { - "identifier": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "molarweight": 116.084, - "m": 5.20044, - "sigma": 3.23829, - "epsilon_k": 251.70798, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00335, - "epsilon_k_ab": 2688.84534 - } - ] - }, - { - "identifier": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "molarweight": 422.485, - "m": 10.56751, - "sigma": 4.14394, - "epsilon_k": 254.15269 - }, - { - "identifier": { - "cas": "311-89-7", - "name": "perfluorotributylamine", - "iupac_name": "1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33" - }, - "molarweight": 670.96, - "m": 7.8785, - "sigma": 3.81305, - "epsilon_k": 186.54834, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "molarweight": 88.052, - "m": 2.98846, - "sigma": 3.36587, - "epsilon_k": 275.40864, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "molarweight": 54.047, - "m": 2.23776, - "sigma": 3.58327, - "epsilon_k": 228.30251 - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "molarweight": 212.25, - "m": 6.50721, - "sigma": 3.79059, - "epsilon_k": 251.06259 - }, - { - "identifier": { - "cas": "84-15-1", - "name": "o-terphenyl", - "iupac_name": "1,2-diphenylbenzene", - "smiles": "c1ccc(-c2ccccc2-c2ccccc2)cc1", - "inchi": "InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H" - }, - "molarweight": 230.11, - "m": 5.41044, - "sigma": 3.84384, - "epsilon_k": 314.70269 - }, - { - "identifier": { - "cas": "592-88-1", - "name": "allyl sulfide", - "iupac_name": "3-prop-2-enylsulfanylprop-1-ene", - "smiles": "C=CCSCC=C", - "inchi": "InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2" - }, - "molarweight": 114.05, - "m": 2.70319, - "sigma": 4.02518, - "epsilon_k": 310.67398, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "100-02-7", - "name": "p-nitrophenol", - "iupac_name": "4-nitrophenol", - "smiles": "O=[N+]([O-])c1ccc(O)cc1", - "inchi": "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H" - }, - "molarweight": 139.027, - "m": 3.07023, - "sigma": 3.55686, - "epsilon_k": 234.17806, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.00976, - "epsilon_k_ab": 4999.99705 - } - ] - }, - { - "identifier": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "molarweight": 59.967, - "m": 1.68894, - "sigma": 3.40406, - "epsilon_k": 229.75012, - "mu": 0.712, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "61868-04-0", - "name": "2,3-dimethyloctadecane", - "iupac_name": "2,3-dimethyloctadecane", - "smiles": "CCCCCCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C20H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4)19(2)3/h19-20H,5-18H2,1-4H3" - }, - "molarweight": 282.329, - "m": 6.63374, - "sigma": 4.24123, - "epsilon_k": 275.99108 - }, - { - "identifier": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "molarweight": 100.052, - "m": 3.15191, - "sigma": 3.51901, - "epsilon_k": 313.26422, - "mu": 4.3, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "18172-67-3", - "name": "(-)-beta-pinene", - "iupac_name": "(1s,5s)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CC[C@H]2C[C@@H]1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1" - }, - "molarweight": 136.125, - "m": 3.26959, - "sigma": 4.04708, - "epsilon_k": 292.21145 - }, - { - "identifier": { - "cas": "10061-02-6", - "name": "trans-1,3-dichloro-1-propene", - "iupac_name": "(e)-1,3-dichloroprop-1-ene", - "smiles": "Cl/C=C/CCl", - "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+" - }, - "molarweight": 109.969, - "m": 2.87975, - "sigma": 3.48819, - "epsilon_k": 285.67713, - "mu": 1.81 - }, - { - "identifier": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "molarweight": 126.024, - "m": 3.10904, - "sigma": 3.72881, - "epsilon_k": 303.97836, - "mu": 1.56 - }, - { - "identifier": { - "cas": "2473-03-2", - "name": "1-chloroundecane", - "iupac_name": "1-chloroundecane", - "smiles": "CCCCCCCCCCCCl", - "inchi": "InChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3" - }, - "molarweight": 190.149, - "m": 5.30935, - "sigma": 3.85365, - "epsilon_k": 265.65126 - }, - { - "identifier": { - "cas": "7581-97-7", - "name": "2,3-dichlorobutane", - "iupac_name": "2,3-dichlorobutane", - "smiles": "CC(Cl)C(C)Cl", - "inchi": "InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3" - }, - "molarweight": 126.0, - "m": 2.94526, - "sigma": 3.72785, - "epsilon_k": 282.71327 - }, - { - "identifier": { - "cas": "17851-27-3", - "name": "1-ethyl-2,4,5-trimethylbenzene", - "iupac_name": "1-ethyl-2,4,5-trimethylbenzene", - "smiles": "CCc1cc(C)c(C)cc1C", - "inchi": "InChI=1S/C11H16/c1-5-11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3" - }, - "molarweight": 148.125, - "m": 4.34919, - "sigma": 3.77356, - "epsilon_k": 278.84524 - }, - { - "identifier": { - "cas": "99-85-4", - "name": ".gamma.-terpinene", - "iupac_name": "1-methyl-4-propan-2-ylcyclohexa-1,4-diene", - "smiles": "CC1=CCC(C(C)C)=CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3" - }, - "molarweight": 136.125, - "m": 3.88518, - "sigma": 3.8439, - "epsilon_k": 278.02059 - }, - { - "identifier": { - "cas": "2409-55-4", - "name": "2-tert-butyl-4-methylphenol", - "iupac_name": "2-tert-butyl-4-methylphenol", - "smiles": "Cc1ccc(O)c(C(C)(C)C)c1", - "inchi": "InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3" - }, - "molarweight": 164.12, - "m": 3.12047, - "sigma": 4.24592, - "epsilon_k": 257.88316, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.05893, - "epsilon_k_ab": 3149.81981 - } - ] - }, - { - "identifier": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "molarweight": 56.063, - "m": 2.17683, - "sigma": 3.70792, - "epsilon_k": 227.5538 - }, - { - "identifier": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "molarweight": 120.0, - "m": 3.07064, - "sigma": 3.13545, - "epsilon_k": 154.7744, - "mu": 1.54 - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "smiles": "N#N", - "inchi": "InChI=1S/N2/c1-2" - }, - "molarweight": 28.006, - "m": 1.23831, - "sigma": 3.30009, - "epsilon_k": 89.41358, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "molarweight": 54.047, - "m": 2.44696, - "sigma": 3.42159, - "epsilon_k": 246.06782 - }, - { - "identifier": { - "cas": "871-22-7", - "name": "acetaldehyde dibutyl acetal", - "iupac_name": "1-(1-butoxyethoxy)butane", - "smiles": "CCCCOC(C)OCCCC", - "inchi": "InChI=1S/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3" - }, - "molarweight": 174.162, - "m": 5.26343, - "sigma": 3.76342, - "epsilon_k": 236.9153, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "molarweight": 102.104, - "m": 4.41997, - "sigma": 3.3789, - "epsilon_k": 223.2349, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00837, - "epsilon_k_ab": 2125.5966 - } - ] - }, - { - "identifier": { - "cas": "91-63-4", - "name": "quinaldine", - "iupac_name": "2-methylquinoline", - "smiles": "Cc1ccc2ccccc2n1", - "inchi": "InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3" - }, - "molarweight": 143.073, - "m": 3.57024, - "sigma": 3.79149, - "epsilon_k": 340.15723, - "mu": 1.94, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 154.078, - "m": 3.96136, - "sigma": 3.77757, - "epsilon_k": 324.59821 - }, - { - "identifier": { - "cas": "2801-84-5", - "name": "2,4-dimethyldecane", - "iupac_name": "2,4-dimethyldecane", - "smiles": "CCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C12H26/c1-5-6-7-8-9-12(4)10-11(2)3/h11-12H,5-10H2,1-4H3" - }, - "molarweight": 170.203, - "m": 4.70938, - "sigma": 4.03618, - "epsilon_k": 254.47587 - }, - { - "identifier": { - "cas": "4109-96-0", - "name": "dichlorosilane", - "iupac_name": "dichlorosilane", - "smiles": "Cl[SiH2]Cl", - "inchi": "InChI=1S/Cl2H2Si/c1-3-2/h3H2" - }, - "molarweight": 99.93, - "m": 2.18288, - "sigma": 3.61809, - "epsilon_k": 242.08006, - "mu": 1.17 - }, - { - "identifier": { - "cas": "600-24-8", - "name": "2-nitrobutane", - "iupac_name": "2-nitrobutane", - "smiles": "CCC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3" - }, - "molarweight": 103.063, - "m": 3.19131, - "sigma": 3.57479, - "epsilon_k": 288.14137, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "423-55-2", - "name": "perfluorooctyl bromide", - "iupac_name": "1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br", - "inchi": "InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26" - }, - "molarweight": 497.891, - "m": 5.67735, - "sigma": 3.87503, - "epsilon_k": 201.04478 - }, - { - "identifier": { - "cas": "823-76-7", - "name": "methylcyclohexylketone", - "iupac_name": "1-cyclohexylethanone", - "smiles": "CC(=O)C1CCCCC1", - "inchi": "InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3" - }, - "molarweight": 126.104, - "m": 3.76544, - "sigma": 3.69468, - "epsilon_k": 285.64406, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1186-52-3", - "name": "perdeuteroacetic acid", - "iupac_name": "deuterio 2,2,2-trideuterioacetate", - "smiles": "[2H]OC(=O)C([2H])([2H])[2H]", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD" - }, - "molarweight": 60.021, - "m": 3.99328, - "sigma": 2.59306, - "epsilon_k": 182.30859, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 1365.80862 - } - ] - }, - { - "identifier": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "molarweight": 71.073, - "m": 2.33966, - "sigma": 3.64804, - "epsilon_k": 280.23094, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.07367, - "epsilon_k_ab": 1054.21541 - } - ] - }, - { - "identifier": { - "cas": "50807-77-7", - "name": "1,1,2,2,-tetrafluoroethyl-2,2-difluoroethyl ether", - "iupac_name": "1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane", - "smiles": "CC(F)(F)OC(F)(F)C(F)F", - "inchi": "InChI=1S/C4H4F6O/c1-3(7,8)11-4(9,10)2(5)6/h2H,1H3" - }, - "molarweight": 182.017, - "m": 4.82846, - "sigma": 3.16725, - "epsilon_k": 194.11151, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "molarweight": 44.026, - "m": 2.14028, - "sigma": 3.22662, - "epsilon_k": 227.62099, - "mu": 2.69, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "molarweight": 59.073, - "m": 2.6766, - "sigma": 3.43553, - "epsilon_k": 228.61953, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02607, - "epsilon_k_ab": 850.97908 - } - ] - }, - { - "identifier": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "molarweight": 106.042, - "m": 3.41549, - "sigma": 3.46319, - "epsilon_k": 301.21161, - "mu": 2.8, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "100-44-7", - "name": "benzyl chloride", - "iupac_name": "chloromethylbenzene", - "smiles": "ClCc1ccccc1", - "inchi": "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" - }, - "molarweight": 126.024, - "m": 3.57621, - "sigma": 3.54454, - "epsilon_k": 295.46864, - "mu": 1.89 - }, - { - "identifier": { - "cas": "75-61-6", - "name": "dibromodifluoromethane [r12b2]", - "iupac_name": "dibromo(difluoro)methane", - "smiles": "FC(F)(Br)Br", - "inchi": "InChI=1S/CBr2F2/c2-1(3,4)5" - }, - "molarweight": 207.833, - "m": 2.06713, - "sigma": 3.80477, - "epsilon_k": 263.97546 - }, - { - "identifier": { - "cas": "1070-32-2", - "name": "3-methyl-1-heptanol", - "iupac_name": "3-methylheptan-1-ol", - "smiles": "CCCCC(C)CCO", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 130.136, - "m": 5.83861, - "sigma": 3.31916, - "epsilon_k": 213.85234, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 863.90503 - } - ] - }, - { - "identifier": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "molarweight": 68.026, - "m": 2.52507, - "sigma": 3.3022, - "epsilon_k": 247.3907, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "103-50-4", - "name": "dibenzyl ether", - "iupac_name": "phenylmethoxymethylbenzene", - "smiles": "c1ccc(COCc2ccccc2)cc1", - "inchi": "InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2" - }, - "molarweight": 198.104, - "m": 6.10509, - "sigma": 3.54342, - "epsilon_k": 278.94912, - "mu": 1.39, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "594-36-5", - "name": "2-chloro-2-methylbutane", - "iupac_name": "2-chloro-2-methylbutane", - "smiles": "CCC(C)(C)Cl", - "inchi": "InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3" - }, - "molarweight": 106.055, - "m": 2.66854, - "sigma": 3.92132, - "epsilon_k": 270.60615 - }, - { - "identifier": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "molarweight": 86.073, - "m": 2.9728, - "sigma": 3.63219, - "epsilon_k": 241.67593, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00398, - "epsilon_k_ab": 2398.3937 - } - ] - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 114.141, - "m": 3.86069, - "sigma": 3.81486, - "epsilon_k": 241.43398 - }, - { - "identifier": { - "cas": "557-17-5", - "name": "methyl propyl ether", - "iupac_name": "1-methoxypropane", - "smiles": "CCCOC", - "inchi": "InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3" - }, - "molarweight": 74.073, - "m": 2.84575, - "sigma": 3.53881, - "epsilon_k": 228.63459, - "mu": 1.24, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "molarweight": 185.868, - "m": 2.59098, - "sigma": 3.5717, - "epsilon_k": 323.70316, - "mu": 1.0 - }, - { - "identifier": { - "cas": "874-35-1", - "name": "5-methylindan", - "iupac_name": "5-methyl-2,3-dihydro-1h-indene", - "smiles": "Cc1ccc2c(c1)CCC2", - "inchi": "InChI=1S/C10H12/c1-8-5-6-9-3-2-4-10(9)7-8/h5-7H,2-4H2,1H3" - }, - "molarweight": 132.094, - "m": 2.72989, - "sigma": 4.1746, - "epsilon_k": 356.96095 - }, - { - "identifier": { - "cas": "1559-02-0", - "name": "diethyl ester 1,1-cyclopropanedicarboxylic acid", - "iupac_name": "diethyl cyclopropane-1,1-dicarboxylate", - "smiles": "CCOC(=O)C1(C(=O)OCC)CC1", - "inchi": "InChI=1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3" - }, - "molarweight": 186.089, - "m": 5.41964, - "sigma": 3.54229, - "epsilon_k": 254.5684, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "molarweight": 46.042, - "m": 2.8866, - "sigma": 2.95772, - "epsilon_k": 187.26028, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.05533, - "epsilon_k_ab": 2462.30577 - } - ] - }, - { - "identifier": { - "cas": "473-55-2", - "name": "2,6,6-trimethylbicyclo[3.1.1]heptane", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]heptane", - "smiles": "CC1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3" - }, - "molarweight": 138.141, - "m": 3.47152, - "sigma": 3.9902, - "epsilon_k": 284.53871 - }, - { - "identifier": { - "cas": "920-66-1", - "name": "1,1,1,3,3,3-hexafluoro-2-propanol", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-ol", - "smiles": "OC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H" - }, - "molarweight": 168.001, - "m": 4.40925, - "sigma": 3.09084, - "epsilon_k": 186.33207, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00131, - "epsilon_k_ab": 2219.88588 - } - ] - }, - { - "identifier": { - "cas": "75163-99-4", - "name": "2,3-dimethylnonadecane", - "iupac_name": "2,3-dimethylnonadecane", - "smiles": "CCCCCCCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(4)20(2)3/h20-21H,5-19H2,1-4H3" - }, - "molarweight": 296.344, - "m": 6.66002, - "sigma": 4.30639, - "epsilon_k": 280.82206 - }, - { - "identifier": { - "cas": "1003-03-8", - "name": "cyclopentylamine", - "iupac_name": "cyclopentanamine", - "smiles": "NC1CCCC1", - "inchi": "InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2" - }, - "molarweight": 85.089, - "m": 1.55714, - "sigma": 4.5, - "epsilon_k": 344.94838, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02788, - "epsilon_k_ab": 1661.37696 - } - ] - }, - { - "identifier": { - "cas": "1127-76-0", - "name": "1-ethylnaphthalene", - "iupac_name": "1-ethylnaphthalene", - "smiles": "CCc1cccc2ccccc12", - "inchi": "InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3" - }, - "molarweight": 156.094, - "m": 3.88613, - "sigma": 3.85029, - "epsilon_k": 328.65317 - }, - { - "identifier": { - "cas": "930-68-7", - "name": "2-cyclohexen-1-one", - "iupac_name": "cyclohex-2-en-1-one", - "smiles": "O=C1C=CCCC1", - "inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2" - }, - "molarweight": 96.058, - "m": 3.06286, - "sigma": 3.54915, - "epsilon_k": 303.37106, - "mu": 3.63, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "55191-63-4", - "name": "1-alpha-naphthylpentadecane", - "iupac_name": "1-pentadecylnaphthalene", - "smiles": "CCCCCCCCCCCCCCCc1cccc2ccccc12", - "inchi": "InChI=1S/C25H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-20-17-21-24-19-15-16-22-25(23)24/h15-17,19-22H,2-14,18H2,1H3" - }, - "molarweight": 338.297, - "m": 9.73191, - "sigma": 3.79644, - "epsilon_k": 271.88605 - }, - { - "identifier": { - "cas": "717-74-8", - "name": "1,3,5-triisopropylbenzene", - "iupac_name": "1,3,5-tri(propan-2-yl)benzene", - "smiles": "CC(C)c1cc(C(C)C)cc(C(C)C)c1", - "inchi": "InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3" - }, - "molarweight": 204.188, - "m": 5.48031, - "sigma": 3.92029, - "epsilon_k": 256.73567 - }, - { - "identifier": { - "cas": "108-42-9", - "name": "m-chloroaniline", - "iupac_name": "3-chloroaniline", - "smiles": "Nc1cccc(Cl)c1", - "inchi": "InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2" - }, - "molarweight": 127.019, - "m": 3.34104, - "sigma": 3.54445, - "epsilon_k": 272.12814, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.40413, - "epsilon_k_ab": 2019.85235 - } - ] - }, - { - "identifier": { - "cas": "109-09-1", - "name": "2-chloropyridine", - "iupac_name": "2-chloropyridine", - "smiles": "Clc1ccccn1", - "inchi": "InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H" - }, - "molarweight": 113.003, - "m": 2.91512, - "sigma": 3.56295, - "epsilon_k": 333.81544, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "molarweight": 120.094, - "m": 3.37257, - "sigma": 3.80719, - "epsilon_k": 299.71414 - }, - { - "identifier": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "molarweight": 174.089, - "m": 6.13667, - "sigma": 3.32456, - "epsilon_k": 247.1628, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "2487-90-3", - "name": "trimethoxysilane", - "iupac_name": "trimethoxysilane", - "smiles": "CO[SiH](OC)OC", - "inchi": "InChI=1S/C3H10O3Si/c1-4-7(5-2)6-3/h7H,1-3H3" - }, - "molarweight": 122.04, - "m": 3.82528, - "sigma": 3.48825, - "epsilon_k": 220.82175, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "141-32-2", - "name": "2-propenoic acid butyl ester", - "iupac_name": "butyl prop-2-enoate", - "smiles": "C=CC(=O)OCCCC", - "inchi": "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3" - }, - "molarweight": 128.084, - "m": 4.32452, - "sigma": 3.52968, - "epsilon_k": 243.11798, - "mu": 1.93, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "563-78-0", - "name": "2,3-dimethyl-1-butene", - "iupac_name": "2,3-dimethylbut-1-ene", - "smiles": "C=C(C)C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3" - }, - "molarweight": 84.094, - "m": 2.84326, - "sigma": 3.80401, - "epsilon_k": 237.66904 - }, - { - "identifier": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "molarweight": 73.053, - "m": 2.0377, - "sigma": 3.83465, - "epsilon_k": 394.28242, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01943, - "epsilon_k_ab": 2395.46176 - } - ] - }, - { - "identifier": { - "cas": "513-53-1", - "name": "sec-butylmercaptan", - "iupac_name": "butane-2-thiol", - "smiles": "CCC(C)S", - "inchi": "InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "molarweight": 90.05, - "m": 2.66544, - "sigma": 3.77377, - "epsilon_k": 273.36602, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1502.574 - } - ] - }, - { - "identifier": { - "cas": "541-01-5", - "name": "hexadecamethylheptasiloxane", - "iupac_name": "bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-dimethylsilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C16H48O6Si7/c1-23(2,3)17-25(7,8)19-27(11,12)21-29(15,16)22-28(13,14)20-26(9,10)18-24(4,5)6/h1-16H3" - }, - "molarweight": 532.184, - "m": 11.28969, - "sigma": 4.09893, - "epsilon_k": 194.90517, - "association_sites": [ - { - "nb": 6.0 - } - ] - }, - { - "identifier": { - "cas": "7632-51-1", - "name": "vanadium tetrachloride", - "iupac_name": "tetrachlorovanadium", - "smiles": "[Cl-].[Cl-].[Cl-].[Cl-].[V+4]", - "inchi": "InChI=1S/4ClH.V/h4*1H;/q;;;;+4/p-4" - }, - "molarweight": 189.823, - "m": 1.63898, - "sigma": 4.5, - "epsilon_k": 443.09059 - }, - { - "identifier": { - "cas": "62184-10-5", - "name": "2,4,6-trimethylnonane", - "iupac_name": "2,4,6-trimethylnonane", - "smiles": "CCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C12H26/c1-6-7-11(4)9-12(5)8-10(2)3/h10-12H,6-9H2,1-5H3" - }, - "molarweight": 170.203, - "m": 4.84062, - "sigma": 3.98179, - "epsilon_k": 244.12431 - }, - { - "identifier": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "molarweight": 72.058, - "m": 2.49122, - "sigma": 3.49913, - "epsilon_k": 273.14964, - "mu": 1.63, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "7525-62-4", - "name": "1-ethyl-3-vinylbenzene", - "iupac_name": "1-ethenyl-3-ethylbenzene", - "smiles": "C=Cc1cccc(CC)c1", - "inchi": "InChI=1S/C10H12/c1-3-9-6-5-7-10(4-2)8-9/h3,5-8H,1,4H2,2H3" - }, - "molarweight": 132.094, - "m": 3.36551, - "sigma": 3.9446, - "epsilon_k": 308.69297 - }, - { - "identifier": { - "cas": "75163-98-3", - "name": "2,4-dimethyleicosane", - "iupac_name": "2,4-dimethylicosane", - "smiles": "CCCCCCCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C22H46/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(4)20-21(2)3/h21-22H,5-20H2,1-4H3" - }, - "molarweight": 310.36, - "m": 11.79236, - "sigma": 3.5593, - "epsilon_k": 217.51348 - }, - { - "identifier": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "molarweight": 86.037, - "m": 3.66054, - "sigma": 3.13998, - "epsilon_k": 236.45052, - "mu": 1.25013, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2163-00-0", - "name": "1,6-dichlorohexane", - "iupac_name": "1,6-dichlorohexane", - "smiles": "ClCCCCCCCl", - "inchi": "InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2" - }, - "molarweight": 154.032, - "m": 4.15638, - "sigma": 3.64191, - "epsilon_k": 285.34306 - }, - { - "identifier": { - "cas": "543-49-7", - "name": "2-heptanol", - "iupac_name": "heptan-2-ol", - "smiles": "CCCCCC(C)O", - "inchi": "InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 116.12, - "m": 2.88461, - "sigma": 4.13203, - "epsilon_k": 283.81619, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00231, - "epsilon_k_ab": 2938.00111 - } - ] - }, - { - "identifier": { - "cas": "589-93-5", - "name": "2,5-dimethylpyridine", - "iupac_name": "2,5-dimethylpyridine", - "smiles": "Cc1ccc(C)nc1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3" - }, - "molarweight": 107.073, - "m": 3.52066, - "sigma": 3.55164, - "epsilon_k": 281.70977, - "mu": 2.16, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "434-64-0", - "name": "perfluorotoluene", - "iupac_name": "1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene", - "smiles": "Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F", - "inchi": "InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10" - }, - "molarweight": 235.987, - "m": 4.37021, - "sigma": 3.45886, - "epsilon_k": 216.9885 - }, - { - "identifier": { - "cas": "107-51-7", - "name": "octamethyltrisiloxane", - "iupac_name": "dimethyl-bis(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3" - }, - "molarweight": 236.108, - "m": 5.25135, - "sigma": 4.15321, - "epsilon_k": 211.29842, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "7726-95-6", - "name": "bromine", - "iupac_name": "molecular bromine", - "smiles": "BrBr", - "inchi": "InChI=1S/Br2/c1-2" - }, - "molarweight": 157.837, - "m": 1.87111, - "sigma": 3.31443, - "epsilon_k": 334.68958 - }, - { - "identifier": { - "cas": "107-08-4", - "name": "1-iodopropane", - "iupac_name": "1-iodopropane", - "smiles": "CCCI", - "inchi": "InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3" - }, - "molarweight": 169.959, - "m": 2.30575, - "sigma": 3.8558, - "epsilon_k": 311.27835, - "mu": 2.04 - }, - { - "identifier": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "smiles": "Cc1cc(C)cc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "molarweight": 122.073, - "m": 2.76731, - "sigma": 4.01502, - "epsilon_k": 358.61558, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00253, - "epsilon_k_ab": 2751.43048 - } - ] - }, - { - "identifier": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "molarweight": 58.078, - "m": 2.23943, - "sigma": 3.77033, - "epsilon_k": 217.60377 - }, - { - "identifier": { - "cas": "13838-16-9", - "name": "enflurane", - "iupac_name": "2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane", - "smiles": "FC(F)OC(F)(F)C(F)Cl", - "inchi": "InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H" - }, - "molarweight": 183.971, - "m": 4.16377, - "sigma": 3.28537, - "epsilon_k": 195.6078, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "447-53-0", - "name": "1,2-dihydronaphthalene", - "iupac_name": "1,2-dihydronaphthalene", - "smiles": "C1=Cc2ccccc2CC1", - "inchi": "InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2" - }, - "molarweight": 130.078, - "m": 3.03295, - "sigma": 3.9464, - "epsilon_k": 344.91204 - }, - { - "identifier": { - "cas": "174899-82-2", - "name": "1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide", - "iupac_name": "bis(trifluoromethylsulfonyl)azanide;1-ethyl-3-methylimidazol-3-ium", - "smiles": "CCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6H11N2.C2F6NO4S2/c1-3-8-5-4-7(2)6-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6H,3H2,1-2H3;/q+1;-1" - }, - "molarweight": 391.01, - "m": 4.48934, - "sigma": 4.5, - "epsilon_k": 550.0, - "association_sites": [ - { - "nb": 5.0 - } - ] - }, - { - "identifier": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "molarweight": 105.079, - "m": 7.8196, - "sigma": 2.51778, - "epsilon_k": 132.88053, - "association_sites": [ - { - "na": 3.0, - "nb": 3.0, - "kappa_ab": 0.47928, - "epsilon_k_ab": 1948.16098 - } - ] - }, - { - "identifier": { - "cas": "151-56-4", - "name": "ethylenimine", - "iupac_name": "aziridine", - "smiles": "C1CN1", - "inchi": "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2" - }, - "molarweight": 43.042, - "m": 2.31053, - "sigma": 3.11275, - "epsilon_k": 259.24488, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.11094, - "epsilon_k_ab": 1038.16463 - } - ] - }, - { - "identifier": { - "cas": "354-96-1", - "name": "perfluoro-2,3-dimethylbutane", - "iupac_name": "1,1,1,2,3,4,4,4-octafluoro-2,3-bis(trifluoromethyl)butane", - "smiles": "FC(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(3(9,10)11,4(12,13)14)2(8,5(15,16)17)6(18,19)20" - }, - "molarweight": 337.978, - "m": 4.18181, - "sigma": 3.78861, - "epsilon_k": 189.34699 - }, - { - "identifier": { - "cas": "26429-11-8", - "name": "4-methylheptadecane", - "iupac_name": "4-methylheptadecane", - "smiles": "CCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h18H,4-17H2,1-3H3" - }, - "molarweight": 254.297, - "m": 5.36223, - "sigma": 4.41708, - "epsilon_k": 288.96074 - }, - { - "identifier": { - "cas": "6418-44-6", - "name": "3-methylheptadecane", - "iupac_name": "3-methylheptadecane", - "smiles": "CCCCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h18H,4-17H2,1-3H3" - }, - "molarweight": 254.297, - "m": 7.45077, - "sigma": 3.93233, - "epsilon_k": 252.09369 - }, - { - "identifier": { - "cas": "111-86-4", - "name": "1-octanamine", - "iupac_name": "octan-1-amine", - "smiles": "CCCCCCCCN", - "inchi": "InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3" - }, - "molarweight": 129.152, - "m": 3.77186, - "sigma": 3.9426, - "epsilon_k": 274.90676, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00559, - "epsilon_k_ab": 1712.01041 - } - ] - }, - { - "identifier": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "molarweight": 118.063, - "m": 4.14185, - "sigma": 3.38307, - "epsilon_k": 239.35345, - "mu": 1.1, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "111-62-6", - "name": "(z)-9-octadecenoic acid ethyl ester", - "iupac_name": "ethyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-" - }, - "molarweight": 310.287, - "m": 6.08461, - "sigma": 4.40445, - "epsilon_k": 299.3266, - "mu": 1.81, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "762-63-0", - "name": "cis-4,4-dimethyl-2-pentene", - "iupac_name": "(z)-4,4-dimethylpent-2-ene", - "smiles": "C/C=C\\C(C)(C)C", - "inchi": "InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5-" - }, - "molarweight": 98.11, - "m": 2.92104, - "sigma": 3.95701, - "epsilon_k": 249.92459 - }, - { - "identifier": { - "cas": "335-27-3", - "name": "perfluoro-1,3-dimethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F", - "inchi": "InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14" - }, - "molarweight": 399.974, - "m": 4.79141, - "sigma": 3.80826, - "epsilon_k": 198.24067 - }, - { - "identifier": { - "cas": "756-13-8", - "name": "dodecafluoro-2-methylpentan-3-one", - "iupac_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one", - "smiles": "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18" - }, - "molarweight": 315.976, - "m": 4.48058, - "sigma": 3.71439, - "epsilon_k": 175.86696, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-86-5", - "name": "2-hydroxy-2-methylpropionitrile", - "iupac_name": "2-hydroxy-2-methylpropanenitrile", - "smiles": "CC(C)(O)C#N", - "inchi": "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3" - }, - "molarweight": 85.053, - "m": 2.23662, - "sigma": 3.94059, - "epsilon_k": 406.24134, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2503.36442 - } - ] - }, - { - "identifier": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "molarweight": 200.178, - "m": 5.1324, - "sigma": 4.0044, - "epsilon_k": 285.99504, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00271, - "epsilon_k_ab": 3654.9118 - } - ] - }, - { - "identifier": { - "cas": "563-16-6", - "name": "3,3-dimethylhexane", - "iupac_name": "3,3-dimethylhexane", - "smiles": "CCCC(C)(C)CC", - "inchi": "InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3" - }, - "molarweight": 114.141, - "m": 3.21937, - "sigma": 4.03238, - "epsilon_k": 256.20469 - }, - { - "identifier": { - "cas": "7783-26-8", - "name": "trisilane", - "iupac_name": "disilylsilane", - "smiles": "[SiH3][SiH2][SiH3]", - "inchi": "InChI=1S/H8Si3/c1-3-2/h3H2,1-2H3" - }, - "molarweight": 91.993, - "m": 2.45181, - "sigma": 4.03147, - "epsilon_k": 256.38088 - }, - { - "identifier": { - "cas": "872-55-9", - "name": "2-ethylthiophene", - "iupac_name": "2-ethylthiophene", - "smiles": "CCc1cccs1", - "inchi": "InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3" - }, - "molarweight": 112.035, - "m": 3.23193, - "sigma": 3.62393, - "epsilon_k": 282.4304, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "6569-51-3", - "name": "borazine", - "iupac_name": "1,3,5,2,4,6-triazatriborinane", - "smiles": "B1NBNBN1", - "inchi": "InChI=1S/B3H6N3/c1-4-2-6-3-5-1/h1-6H" - }, - "molarweight": 81.084, - "m": 1.47621, - "sigma": 4.5, - "epsilon_k": 338.24131, - "association_sites": [ - { - "na": 3.0, - "nb": 3.0, - "kappa_ab": 0.00365, - "epsilon_k_ab": 686.97525 - } - ] - }, - { - "identifier": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "molarweight": 135.995, - "m": 3.36537, - "sigma": 3.14903, - "epsilon_k": 156.43279, - "mu": 1.5, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "molarweight": 85.973, - "m": 2.4077, - "sigma": 3.15948, - "epsilon_k": 187.11613, - "mu": 1.458 - }, - { - "identifier": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "molarweight": 101.12, - "m": 3.29493, - "sigma": 3.7908, - "epsilon_k": 240.45519, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "7785-70-8", - "name": "d-.alpha.-pinene", - "iupac_name": "(1r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CC[C@@H]2C[C@H]1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1" - }, - "molarweight": 136.125, - "m": 3.11578, - "sigma": 4.115, - "epsilon_k": 293.49292 - }, - { - "identifier": { - "cas": "1560-95-8", - "name": "2-methyltetradecane", - "iupac_name": "2-methyltetradecane", - "smiles": "CCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C15H32/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h15H,4-14H2,1-3H3" - }, - "molarweight": 212.25, - "m": 6.24738, - "sigma": 3.94387, - "epsilon_k": 252.16201 - }, - { - "identifier": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "molarweight": 103.042, - "m": 3.25647, - "sigma": 3.55325, - "epsilon_k": 298.91653, - "mu": 4.18, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2425-54-9", - "name": "1-chlorotetradecane", - "iupac_name": "1-chlorotetradecane", - "smiles": "CCCCCCCCCCCCCCCl", - "inchi": "InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3" - }, - "molarweight": 232.196, - "m": 6.402, - "sigma": 3.88956, - "epsilon_k": 265.17609 - }, - { - "identifier": { - "cas": "1120-34-9", - "name": "methyl erucate", - "iupac_name": "methyl (z)-docos-13-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-" - }, - "molarweight": 352.334, - "m": 10.98621, - "sigma": 3.72906, - "epsilon_k": 243.26602, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "23153-23-3", - "name": "1,1,1,3,3-pentachloropropane", - "iupac_name": "1,1,1,3,3-pentachloropropane", - "smiles": "ClC(Cl)CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C3H3Cl5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "molarweight": 213.868, - "m": 3.59825, - "sigma": 3.74257, - "epsilon_k": 291.54726, - "mu": 1.08 - }, - { - "identifier": { - "cas": "622-38-8", - "name": "phenyl ethyl sulfide", - "iupac_name": "ethylsulfanylbenzene", - "smiles": "CCSc1ccccc1", - "inchi": "InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "molarweight": 138.05, - "m": 3.76113, - "sigma": 3.69532, - "epsilon_k": 302.73934, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "18435-23-9", - "name": "2,3-dimethyltetradecane", - "iupac_name": "2,3-dimethyltetradecane", - "smiles": "CCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C16H34/c1-5-6-7-8-9-10-11-12-13-14-16(4)15(2)3/h15-16H,5-14H2,1-4H3" - }, - "molarweight": 226.266, - "m": 5.79506, - "sigma": 4.12539, - "epsilon_k": 268.25811 - }, - { - "identifier": { - "cas": "112-34-5", - "name": "diethylene glycol monobutyl ether", - "iupac_name": "2-(2-butoxyethoxy)ethanol", - "smiles": "CCCCOCCOCCO", - "inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" - }, - "molarweight": 162.126, - "m": 4.18108, - "sigma": 3.889, - "epsilon_k": 274.29093, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.01116, - "epsilon_k_ab": 2028.1552 - } - ] - }, - { - "identifier": { - "cas": "541-41-3", - "name": "ethyl chloroformate", - "iupac_name": "ethyl carbonochloridate", - "smiles": "CCOC(=O)Cl", - "inchi": "InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3" - }, - "molarweight": 107.998, - "m": 3.07101, - "sigma": 3.44727, - "epsilon_k": 254.37154, - "mu": 2.56, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "molarweight": 122.073, - "m": 2.35891, - "sigma": 4.22855, - "epsilon_k": 380.08854, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00463, - "epsilon_k_ab": 2419.64414 - } - ] - }, - { - "identifier": { - "cas": "335-57-9", - "name": "perfluoro-n-heptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" - }, - "molarweight": 387.974, - "m": 5.11596, - "sigma": 3.75187, - "epsilon_k": 180.92292, - "mu": 1.7 - }, - { - "identifier": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "molarweight": 90.068, - "m": 3.62847, - "sigma": 3.33187, - "epsilon_k": 230.55538, - "mu": 1.71, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1560-89-0", - "name": "2-methylheptadecane", - "iupac_name": "2-methylheptadecane", - "smiles": "CCCCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3" - }, - "molarweight": 254.297, - "m": 7.82256, - "sigma": 3.86876, - "epsilon_k": 246.40761 - }, - { - "identifier": { - "cas": "3710-84-7", - "name": "n-hydroxydiethylamine", - "iupac_name": "n,n-diethylhydroxylamine", - "smiles": "CCN(O)CC", - "inchi": "InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3" - }, - "molarweight": 89.084, - "m": 4.3918, - "sigma": 3.17247, - "epsilon_k": 231.04972, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00597, - "epsilon_k_ab": 1812.50102 - } - ] - }, - { - "identifier": { - "cas": "1074-55-1", - "name": "p-methylpropylbenzene", - "iupac_name": "1-methyl-4-propylbenzene", - "smiles": "CCCc1ccc(C)cc1", - "inchi": "InChI=1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3" - }, - "molarweight": 134.11, - "m": 3.71196, - "sigma": 3.87316, - "epsilon_k": 285.65038 - }, - { - "identifier": { - "cas": "75-76-3", - "name": "tetramethylsilane", - "iupac_name": "tetramethylsilane", - "smiles": "C[Si](C)(C)C", - "inchi": "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" - }, - "molarweight": 88.071, - "m": 2.6885, - "sigma": 3.95084, - "epsilon_k": 220.42758 - }, - { - "identifier": { - "cas": "25449-61-0", - "name": "1,1,1-trifluoro-2-(1,1,2-trifluoroethoxy) ethane", - "iupac_name": "1,1,1-trifluoro-2-(1,1,2-trifluoroethoxy)ethane", - "smiles": "FCC(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H4F6O/c5-1-4(9,10)11-2-3(6,7)8/h1-2H2" - }, - "molarweight": 182.017, - "m": 4.86075, - "sigma": 3.17084, - "epsilon_k": 184.94086, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "112-72-1", - "name": "1-tetradecanol", - "iupac_name": "tetradecan-1-ol", - "smiles": "CCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3" - }, - "molarweight": 214.23, - "m": 6.14784, - "sigma": 3.91299, - "epsilon_k": 267.80892, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00328, - "epsilon_k_ab": 2742.58776 - } - ] - }, - { - "identifier": { - "cas": "6876-23-9", - "name": "trans-1,2-dimethylcyclohexane", - "iupac_name": "(1r,2r)-1,2-dimethylcyclohexane", - "smiles": "C[C@H]1CCCC[C@@H]1C", - "inchi": "InChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/s2" - }, - "molarweight": 112.125, - "m": 2.75105, - "sigma": 4.13827, - "epsilon_k": 291.30809 - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "molarweight": 70.078, - "m": 2.25774, - "sigma": 3.75308, - "epsilon_k": 273.50029 - }, - { - "identifier": { - "cas": "1732-13-4", - "name": "1,2,3,6,7,8-hexahydropyrene", - "iupac_name": "1,2,3,6,7,8-hexahydropyrene", - "smiles": "c1cc2c3c(ccc4c3c1CCC4)CCC2", - "inchi": "InChI=1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2" - }, - "molarweight": 208.125, - "m": 4.09989, - "sigma": 4.07796, - "epsilon_k": 382.73168 - }, - { - "identifier": { - "cas": "107-93-7", - "name": "trans-2-butenoic acid", - "iupac_name": "(e)-but-2-enoic acid", - "smiles": "C/C=C/C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+" - }, - "molarweight": 86.037, - "m": 4.01532, - "sigma": 3.10577, - "epsilon_k": 289.48285, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3225.73362 - } - ] - }, - { - "identifier": { - "cas": "106-70-7", - "name": "hexanoic acid methyl ester", - "iupac_name": "methyl hexanoate", - "smiles": "CCCCCC(=O)OC", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3" - }, - "molarweight": 130.099, - "m": 4.46579, - "sigma": 3.53192, - "epsilon_k": 241.73075, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "20602-86-2", - "name": "diamyl oxalate", - "iupac_name": "dipentyl oxalate", - "smiles": "CCCCCOC(=O)C(=O)OCCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-7-9-15-11(13)12(14)16-10-8-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 230.152, - "m": 5.86688, - "sigma": 3.84745, - "epsilon_k": 269.04678, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "78-77-3", - "name": "1-bromo-2-methylpropane", - "iupac_name": "1-bromo-2-methylpropane", - "smiles": "CC(C)CBr", - "inchi": "InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "molarweight": 135.989, - "m": 2.74235, - "sigma": 3.74155, - "epsilon_k": 274.41035 - }, - { - "identifier": { - "cas": "109-64-8", - "name": "1,3-dibromopropane", - "iupac_name": "1,3-dibromopropane", - "smiles": "BrCCCBr", - "inchi": "InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2" - }, - "molarweight": 199.884, - "m": 2.81529, - "sigma": 3.69431, - "epsilon_k": 328.67314, - "mu": 2.07 - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "molarweight": 60.021, - "m": 2.66025, - "sigma": 3.08466, - "epsilon_k": 237.14078, - "mu": 1.77, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "10544-95-3", - "name": "4-methyloctadecane", - "iupac_name": "4-methyloctadecane", - "smiles": "CCCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-19(3)17-5-2/h19H,4-18H2,1-3H3" - }, - "molarweight": 268.313, - "m": 6.30226, - "sigma": 4.2476, - "epsilon_k": 275.41388 - }, - { - "identifier": { - "cas": "111-55-7", - "name": "ethylene glycol diacetate", - "iupac_name": "2-acetyloxyethyl acetate", - "smiles": "CC(=O)OCCOC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3" - }, - "molarweight": 146.058, - "m": 5.53795, - "sigma": 3.18735, - "epsilon_k": 240.54736, - "mu": 2.32, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "molarweight": 111.985, - "m": 2.52453, - "sigma": 3.73052, - "epsilon_k": 291.64502, - "mu": 1.9 - }, - { - "identifier": { - "cas": "590-86-3", - "name": "3-methylbutyraldehyde", - "iupac_name": "3-methylbutanal", - "smiles": "CC(C)CC=O", - "inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3" - }, - "molarweight": 86.073, - "m": 3.18638, - "sigma": 3.55785, - "epsilon_k": 253.00738, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "18720-62-2", - "name": "2-methyl-heptanol-3", - "iupac_name": "2-methylheptan-3-ol", - "smiles": "CCCCC(O)C(C)C", - "inchi": "InChI=1S/C8H18O/c1-4-5-6-8(9)7(2)3/h7-9H,4-6H2,1-3H3" - }, - "molarweight": 130.136, - "m": 5.90703, - "sigma": 3.3167, - "epsilon_k": 213.5959, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3920.01087 - } - ] - }, - { - "identifier": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "molarweight": 132.094, - "m": 2.54336, - "sigma": 4.21529, - "epsilon_k": 350.27415 - }, - { - "identifier": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "molarweight": 349.978, - "m": 4.22497, - "sigma": 3.83358, - "epsilon_k": 197.32599 - }, - { - "identifier": { - "cas": "638-46-0", - "name": "ethyl butyl sulfide", - "iupac_name": "1-ethylsulfanylbutane", - "smiles": "CCCCSCC", - "inchi": "InChI=1S/C6H14S/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "molarweight": 118.082, - "m": 3.65249, - "sigma": 3.73216, - "epsilon_k": 264.28684, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "536-78-7", - "name": "3-ethylpyridine", - "iupac_name": "3-ethylpyridine", - "smiles": "CCc1cccnc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3" - }, - "molarweight": 107.073, - "m": 3.15241, - "sigma": 3.68819, - "epsilon_k": 304.7802, - "mu": 2.41, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "2374-14-3", - "name": "1,3,5-tris(3,3,3-trifluoropropyl)-1,3,5-trimethylcyclotrisiloxane", - "iupac_name": "2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane", - "smiles": "C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1", - "inchi": "InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3" - }, - "molarweight": 468.065, - "m": 9.67999, - "sigma": 3.693, - "epsilon_k": 195.63639, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "84030-20-6", - "name": "7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene", - "iupac_name": "1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine", - "smiles": "CN1CCCN2CCCN=C12", - "inchi": "InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3" - }, - "molarweight": 153.127, - "m": 4.12404, - "sigma": 3.6836, - "epsilon_k": 323.82893, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "75-19-4", - "name": "cyclopropane", - "iupac_name": "cyclopropane", - "smiles": "C1CC1", - "inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2" - }, - "molarweight": 42.047, - "m": 1.85512, - "sigma": 3.47557, - "epsilon_k": 232.78501 - }, - { - "identifier": { - "cas": "75-24-1", - "name": "trimethylaluminum", - "iupac_name": "trimethylalumane", - "smiles": "[Al].[CH3].[CH3].[CH3]", - "inchi": "InChI=1S/3CH3.Al/h3*1H3;" - }, - "molarweight": 72.052, - "m": 3.07608, - "sigma": 3.51643, - "epsilon_k": 286.24799, - "mu": 1.59789 - }, - { - "identifier": { - "cas": "7664-39-3", - "name": "hydrogen fluoride", - "iupac_name": "fluorane", - "smiles": "F", - "inchi": "InChI=1S/FH/h1H" - }, - "molarweight": 20.006, - "m": 1.23675, - "sigma": 2.90791, - "epsilon_k": 322.58425, - "mu": 1.82 - }, - { - "identifier": { - "cas": "88-95-9", - "name": "phthaloyl chloride", - "iupac_name": "benzene-1,2-dicarbonyl chloride", - "smiles": "O=C(Cl)c1ccccc1C(=O)Cl", - "inchi": "InChI=1S/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H" - }, - "molarweight": 201.959, - "m": 3.43154, - "sigma": 3.94469, - "epsilon_k": 363.88343, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "105-21-5", - "name": "gamma-heptanolactone", - "iupac_name": "5-propyloxolan-2-one", - "smiles": "CCCC1CCC(=O)O1", - "inchi": "InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3" - }, - "molarweight": 128.084, - "m": 3.74354, - "sigma": 3.67007, - "epsilon_k": 328.12524, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "55000-54-9", - "name": "2,6-dimethyl-3-octylnaphthalene", - "iupac_name": "2,6-dimethyl-3-octylnaphthalene", - "smiles": "CCCCCCCCc1cc2cc(C)ccc2cc1C", - "inchi": "InChI=1S/C20H28/c1-4-5-6-7-8-9-10-18-15-20-13-16(2)11-12-19(20)14-17(18)3/h11-15H,4-10H2,1-3H3" - }, - "molarweight": 268.219, - "m": 6.90604, - "sigma": 3.91531, - "epsilon_k": 295.37663 - }, - { - "identifier": { - "cas": "105-38-4", - "name": "vinyl propionate", - "iupac_name": "ethenyl propanoate", - "smiles": "C=COC(=O)CC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3" - }, - "molarweight": 100.052, - "m": 3.77659, - "sigma": 3.34434, - "epsilon_k": 232.74258, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "112-55-0", - "name": "n-dodecyl mercaptan", - "iupac_name": "dodecane-1-thiol", - "smiles": "CCCCCCCCCCCCS", - "inchi": "InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "molarweight": 202.176, - "m": 4.77538, - "sigma": 4.17666, - "epsilon_k": 291.3957, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00031, - "epsilon_k_ab": 3221.30897 - } - ] - }, - { - "identifier": { - "cas": "10025-87-3", - "name": "phosphoryl chloride", - "iupac_name": "phosphoryl trichloride", - "smiles": "O=P(Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl3OP/c1-5(2,3)4" - }, - "molarweight": 151.875, - "m": 2.69215, - "sigma": 3.58193, - "epsilon_k": 287.00284, - "mu": 2.42, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "99-62-7", - "name": "1,3-diisopropylbenzene", - "iupac_name": "1,3-di(propan-2-yl)benzene", - "smiles": "CC(C)c1cccc(C(C)C)c1", - "inchi": "InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3" - }, - "molarweight": 162.141, - "m": 4.46773, - "sigma": 3.87604, - "epsilon_k": 267.29506 - }, - { - "identifier": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "molarweight": 195.9, - "m": 2.1598, - "sigma": 3.68288, - "epsilon_k": 214.8023, - "mu": 0.92 - }, - { - "identifier": { - "cas": "92-85-3", - "name": "thianthrene", - "iupac_name": "thianthrene", - "smiles": "c1ccc2c(c1)Sc1ccccc1S2", - "inchi": "InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H" - }, - "molarweight": 216.007, - "m": 3.99839, - "sigma": 3.96357, - "epsilon_k": 392.09778, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "17312-44-6", - "name": "2,3-dimethyldecane", - "iupac_name": "2,3-dimethyldecane", - "smiles": "CCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C12H26/c1-5-6-7-8-9-10-12(4)11(2)3/h11-12H,5-10H2,1-4H3" - }, - "molarweight": 170.203, - "m": 4.61803, - "sigma": 4.05824, - "epsilon_k": 262.03675 - }, - { - "identifier": { - "cas": "87-61-6", - "name": "1,2,3-trichlorobenzene", - "iupac_name": "1,2,3-trichlorobenzene", - "smiles": "Clc1cccc(Cl)c1Cl", - "inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H" - }, - "molarweight": 179.93, - "m": 3.32058, - "sigma": 3.74383, - "epsilon_k": 334.18319, - "mu": 2.44 - }, - { - "identifier": { - "cas": "1551-21-9", - "name": "methyl isopropyl sulfide", - "iupac_name": "2-methylsulfanylpropane", - "smiles": "CSC(C)C", - "inchi": "InChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3" - }, - "molarweight": 90.05, - "m": 2.65363, - "sigma": 3.77723, - "epsilon_k": 274.36378, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "121-14-2", - "name": "2,4-dinitrotoluene", - "iupac_name": "1-methyl-2,4-dinitrobenzene", - "smiles": "Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]", - "inchi": "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3" - }, - "molarweight": 182.033, - "m": 3.90231, - "sigma": 3.69636, - "epsilon_k": 361.72261, - "mu": 4.32, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "595-37-9", - "name": "2,2-dimethylbutanoic acid", - "iupac_name": "2,2-dimethylbutanoic acid", - "smiles": "CCC(C)(C)C(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)" - }, - "molarweight": 116.084, - "m": 5.134, - "sigma": 3.23328, - "epsilon_k": 233.85561, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.04893, - "epsilon_k_ab": 1983.61924 - } - ] - }, - { - "identifier": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 155.957, - "m": 2.72034, - "sigma": 3.77446, - "epsilon_k": 327.7337, - "mu": 1.7 - }, - { - "identifier": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(C)=O", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3" - }, - "molarweight": 158.131, - "m": 5.29898, - "sigma": 3.58679, - "epsilon_k": 240.96585, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "288-32-4", - "name": "1h-imidazole", - "iupac_name": "1h-imidazole", - "smiles": "c1c[nH]cn1", - "inchi": "InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)" - }, - "molarweight": 68.037, - "m": 4.14062, - "sigma": 2.75025, - "epsilon_k": 237.38272, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 2864.98261 - } - ] - }, - { - "identifier": { - "cas": "355-28-2", - "name": "2,2,3,3,4,4,5,5,5-nonafluoro-1-pentanol", - "iupac_name": "2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol", - "smiles": "OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5H3F9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2" - }, - "molarweight": 250.004, - "m": 3.81198, - "sigma": 3.75838, - "epsilon_k": 217.87589, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00441, - "epsilon_k_ab": 2515.8383 - } - ] - }, - { - "identifier": { - "cas": "622-97-9", - "name": "p-methyl-styrene", - "iupac_name": "1-ethenyl-4-methylbenzene", - "smiles": "C=Cc1ccc(C)cc1", - "inchi": "InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3" - }, - "molarweight": 118.078, - "m": 3.33333, - "sigma": 3.77265, - "epsilon_k": 300.12534 - }, - { - "identifier": { - "cas": "96-54-8", - "name": "n-methyl pyrrole", - "iupac_name": "1-methylpyrrole", - "smiles": "Cn1cccc1", - "inchi": "InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3" - }, - "molarweight": 81.058, - "m": 3.08939, - "sigma": 3.38913, - "epsilon_k": 276.12466, - "mu": 1.73, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "7783-61-1", - "name": "silicon tetrafluoride", - "iupac_name": "tetrafluorosilane", - "smiles": "F[Si](F)(F)F", - "inchi": "InChI=1S/F4Si/c1-5(2,3)4" - }, - "molarweight": 103.971, - "m": 3.29363, - "sigma": 2.79753, - "epsilon_k": 116.02648 - }, - { - "identifier": { - "cas": "627-05-4", - "name": "1-nitrobutane", - "iupac_name": "1-nitrobutane", - "smiles": "CCCC[N+](=O)[O-]", - "inchi": "InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3" - }, - "molarweight": 103.063, - "m": 3.617, - "sigma": 3.4261, - "epsilon_k": 264.38587, - "mu": 3.59, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "110-42-9", - "name": "decanoic acid methyl ester", - "iupac_name": "methyl decanoate", - "smiles": "CCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3" - }, - "molarweight": 186.162, - "m": 5.79931, - "sigma": 3.69896, - "epsilon_k": 249.01319, - "mu": 2.08, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "6975-98-0", - "name": "2-methyldecane", - "iupac_name": "2-methyldecane", - "smiles": "CCCCCCCCC(C)C", - "inchi": "InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3" - }, - "molarweight": 156.188, - "m": 4.87058, - "sigma": 3.88386, - "epsilon_k": 245.87139 - }, - { - "identifier": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "molarweight": 76.008, - "m": 2.43958, - "sigma": 3.49129, - "epsilon_k": 254.12751, - "mu": 2.0 - }, - { - "identifier": { - "cas": "17302-24-8", - "name": "2,4-dimethylnonane", - "iupac_name": "2,4-dimethylnonane", - "smiles": "CCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C11H24/c1-5-6-7-8-11(4)9-10(2)3/h10-11H,5-9H2,1-4H3" - }, - "molarweight": 156.188, - "m": 5.0097, - "sigma": 3.8338, - "epsilon_k": 237.31989 - }, - { - "identifier": { - "cas": "55429-35-1", - "name": "1,7-dicyclopentyl-4-(3-cyclopentylpropyl)heptane", - "iupac_name": "[7-cyclopentyl-4-(3-cyclopentylpropyl)heptyl]cyclopentane", - "smiles": "C1CCC(CCCC(CCCC2CCCC2)CCCC2CCCC2)C1", - "inchi": "InChI=1S/C25H46/c1-2-11-22(10-1)16-7-19-25(20-8-17-23-12-3-4-13-23)21-9-18-24-14-5-6-15-24/h22-25H,1-21H2" - }, - "molarweight": 346.36, - "m": 7.84833, - "sigma": 4.16454, - "epsilon_k": 290.38467 - }, - { - "identifier": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "molarweight": 45.058, - "m": 2.29695, - "sigma": 3.34472, - "epsilon_k": 225.25687, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02657, - "epsilon_k_ab": 988.83672 - } - ] - }, - { - "identifier": { - "cas": "1072-16-8", - "name": "2,7-dimethyloctane", - "iupac_name": "2,7-dimethyloctane", - "smiles": "CC(C)CCCCC(C)C", - "inchi": "InChI=1S/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3" - }, - "molarweight": 142.172, - "m": 4.309, - "sigma": 3.93099, - "epsilon_k": 245.07869 - }, - { - "identifier": { - "cas": "141-62-8", - "name": "decamethyltetrasiloxane", - "iupac_name": "[dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxysilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3" - }, - "molarweight": 310.127, - "m": 6.63032, - "sigma": 4.17216, - "epsilon_k": 206.12642, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "625-84-3", - "name": "2,5-dimethyl pyrrole", - "iupac_name": "2,5-dimethyl-1h-pyrrole", - "smiles": "Cc1ccc(C)[nH]1", - "inchi": "InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3" - }, - "molarweight": 95.073, - "m": 4.9219, - "sigma": 3.0347, - "epsilon_k": 246.87869, - "mu": 2.064 - }, - { - "identifier": { - "cas": "88-75-5", - "name": "o-nitrophenol", - "iupac_name": "2-nitrophenol", - "smiles": "O=[N+]([O-])c1ccccc1O", - "inchi": "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H" - }, - "molarweight": 139.027, - "m": 3.7188, - "sigma": 3.44771, - "epsilon_k": 299.64521, - "association_sites": [ - { - "na": 1.0, - "nb": 3.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 211.12794 - } - ] - }, - { - "identifier": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "molarweight": 337.978, - "m": 4.71463, - "sigma": 3.68131, - "epsilon_k": 176.00639 - }, - { - "identifier": { - "cas": "4850-28-6", - "name": "1-cis-2-trans-4-trimethylcyclopentane", - "iupac_name": "(1r,2s)-1,2,4-trimethylcyclopentane", - "smiles": "C[C@@H]1C[C@@H](C)[C@@H](C)C1", - "inchi": "InChI=1/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3/t6-,7-,8+" - }, - "molarweight": 112.125, - "m": 2.93534, - "sigma": 4.05617, - "epsilon_k": 275.52874 - }, - { - "identifier": { - "cas": "690-93-7", - "name": "trans-2,2-dimethyl-3-hexene", - "iupac_name": "(e)-2,2-dimethylhex-3-ene", - "smiles": "CC/C=C/C(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+" - }, - "molarweight": 112.125, - "m": 3.62903, - "sigma": 3.84198, - "epsilon_k": 233.29859 - }, - { - "identifier": { - "cas": "13151-34-3", - "name": "3-methyldecane", - "iupac_name": "3-methyldecane", - "smiles": "CCCCCCCC(C)CC", - "inchi": "InChI=1S/C11H24/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-10H2,1-3H3" - }, - "molarweight": 156.188, - "m": 4.1835, - "sigma": 4.09797, - "epsilon_k": 266.95381 - }, - { - "identifier": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 130.136, - "m": 3.9573, - "sigma": 3.85099, - "epsilon_k": 235.00384, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "565-75-3", - "name": "2,3,4-trimethyl pentane", - "iupac_name": "2,3,4-trimethylpentane", - "smiles": "CC(C)C(C)C(C)C", - "inchi": "InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3" - }, - "molarweight": 114.141, - "m": 3.17623, - "sigma": 4.03277, - "epsilon_k": 259.56788 - }, - { - "identifier": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "molarweight": 163.875, - "m": 2.69164, - "sigma": 3.71137, - "epsilon_k": 303.51594 - }, - { - "identifier": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "molarweight": 88.089, - "m": 3.08778, - "sigma": 3.66242, - "epsilon_k": 238.39141, - "mu": 1.25, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 130.099, - "m": 4.27121, - "sigma": 3.59938, - "epsilon_k": 241.48775, - "mu": 1.75, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "290-37-9", - "name": "pyrazine", - "iupac_name": "pyrazine", - "smiles": "c1cnccn1", - "inchi": "InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H" - }, - "molarweight": 80.037, - "m": 2.82189, - "sigma": 3.31028, - "epsilon_k": 239.79933, - "mu": 4.22, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "molarweight": 110.11, - "m": 3.74554, - "sigma": 3.73511, - "epsilon_k": 247.89273, - "mu": 0.96 - }, - { - "identifier": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "molarweight": 100.089, - "m": 3.09647, - "sigma": 3.68029, - "epsilon_k": 265.19482, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "108-47-4", - "name": "2,4-dimethylpyridine", - "iupac_name": "2,4-dimethylpyridine", - "smiles": "Cc1ccnc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "molarweight": 107.073, - "m": 3.3186, - "sigma": 3.62841, - "epsilon_k": 294.02923, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "molarweight": 104.063, - "m": 3.08735, - "sigma": 3.71027, - "epsilon_k": 295.82828 - }, - { - "identifier": { - "cas": "112-07-2", - "name": "2-butoxyethyl acetate", - "iupac_name": "2-butoxyethyl acetate", - "smiles": "CCCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" - }, - "molarweight": 160.11, - "m": 5.49081, - "sigma": 3.47348, - "epsilon_k": 238.23978, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "112-23-2", - "name": "heptyl formate", - "iupac_name": "heptyl formate", - "smiles": "CCCCCCCOC=O", - "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3" - }, - "molarweight": 144.115, - "m": 4.86742, - "sigma": 3.5668, - "epsilon_k": 244.16673, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1002-43-3", - "name": "3-methylundecane", - "iupac_name": "3-methylundecane", - "smiles": "CCCCCCCCC(C)CC", - "inchi": "InChI=1S/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3" - }, - "molarweight": 170.203, - "m": 4.59616, - "sigma": 4.07712, - "epsilon_k": 265.03999 - }, - { - "identifier": { - "cas": "110-38-3", - "name": "decanoic acid ethyl ester", - "iupac_name": "ethyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3" - }, - "molarweight": 200.178, - "m": 6.19747, - "sigma": 3.71893, - "epsilon_k": 246.30589, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "623-36-9", - "name": "2-methyl-2-pentenal", - "iupac_name": "(e)-2-methylpent-2-enal", - "smiles": "CCC=C(C)C=O", - "inchi": "InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3" - }, - "molarweight": 98.073, - "m": 17.08586, - "sigma": 1.98844, - "epsilon_k": 139.20819, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "molarweight": 186.198, - "m": 5.72518, - "sigma": 3.81916, - "epsilon_k": 262.94819, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00161, - "epsilon_k_ab": 2967.99239 - } - ] - }, - { - "identifier": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "molarweight": 164.006, - "m": 3.92242, - "sigma": 3.28839, - "epsilon_k": 169.8351 - }, - { - "identifier": { - "cas": "230-27-3", - "name": "7,8-benzoquinoline", - "iupac_name": "benzo[h]quinoline", - "smiles": "c1ccc2c(c1)ccc1cccnc12", - "inchi": "InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H" - }, - "molarweight": 179.073, - "m": 3.68493, - "sigma": 3.95913, - "epsilon_k": 395.13103, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "627-90-7", - "name": "undecanoic acid ethyl ester", - "iupac_name": "ethyl undecanoate", - "smiles": "CCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3" - }, - "molarweight": 214.193, - "m": 7.26437, - "sigma": 3.59639, - "epsilon_k": 233.66932, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "629-04-9", - "name": "1-bromoheptane", - "iupac_name": "1-bromoheptane", - "smiles": "CCCCCCCBr", - "inchi": "InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3" - }, - "molarweight": 178.036, - "m": 4.06873, - "sigma": 3.7463, - "epsilon_k": 268.74094, - "mu": 2.16 - }, - { - "identifier": { - "cas": "762-62-9", - "name": "4,4-dimethyl-1-pentene", - "iupac_name": "4,4-dimethylpent-1-ene", - "smiles": "C=CCC(C)(C)C", - "inchi": "InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3" - }, - "molarweight": 98.11, - "m": 2.88984, - "sigma": 3.99143, - "epsilon_k": 244.74101 - }, - { - "identifier": { - "cas": "79-38-9", - "name": "chlorotrifluoroethylene", - "iupac_name": "1-chloro-1,2,2-trifluoroethene", - "smiles": "FC(F)=C(F)Cl", - "inchi": "InChI=1S/C2ClF3/c3-1(4)2(5)6" - }, - "molarweight": 115.964, - "m": 2.55275, - "sigma": 3.37703, - "epsilon_k": 191.75837 - }, - { - "identifier": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "molarweight": 84.003, - "m": 2.39045, - "sigma": 3.54152, - "epsilon_k": 299.898, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "107-29-9", - "name": "acetaldoxime", - "iupac_name": "(ne)-n-ethylidenehydroxylamine", - "smiles": "CC=NO", - "inchi": "InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3" - }, - "molarweight": 59.037, - "m": 4.22473, - "sigma": 2.68578, - "epsilon_k": 205.65451, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.20148, - "epsilon_k_ab": 1338.21076 - } - ] - }, - { - "identifier": { - "cas": "1632-16-2", - "name": "2-ethyl-1-hexene", - "iupac_name": "3-methylideneheptane", - "smiles": "C=C(CC)CCCC", - "inchi": "InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3" - }, - "molarweight": 112.125, - "m": 6.26475, - "sigma": 3.14203, - "epsilon_k": 188.73986 - }, - { - "identifier": { - "cas": "1132-39-4", - "name": "diphenyl selenide", - "iupac_name": "phenylselanylbenzene", - "smiles": "c1ccc([Se]c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 233.995, - "m": 5.11542, - "sigma": 3.64339, - "epsilon_k": 306.83927 - }, - { - "identifier": { - "cas": "629-11-8", - "name": "1,6-hexanediol", - "iupac_name": "hexane-1,6-diol", - "smiles": "OCCCCCCO", - "inchi": "InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2" - }, - "molarweight": 118.099, - "m": 3.37951, - "sigma": 3.79315, - "epsilon_k": 313.72181, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.00608, - "epsilon_k_ab": 2549.80916 - } - ] - }, - { - "identifier": { - "cas": "696-71-9", - "name": "cyclooctanol", - "iupac_name": "cyclooctanol", - "smiles": "OC1CCCCCCC1", - "inchi": "InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2" - }, - "molarweight": 128.12, - "m": 10.85314, - "sigma": 2.52287, - "epsilon_k": 182.03137, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3998.12506 - } - ] - }, - { - "identifier": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "molarweight": 99.068, - "m": 3.22439, - "sigma": 3.50038, - "epsilon_k": 312.79027, - "mu": 4.09, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "98-13-5", - "name": "trichlorophenylsilane", - "iupac_name": "trichloro(phenyl)silane", - "smiles": "Cl[Si](Cl)(Cl)c1ccccc1", - "inchi": "InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 209.923, - "m": 3.77834, - "sigma": 3.89057, - "epsilon_k": 292.96505, - "mu": 2.41 - }, - { - "identifier": { - "cas": "14027-78-2", - "name": "dipentyl adipate", - "iupac_name": "dipentyl hexanedioate", - "smiles": "CCCCCOC(=O)CCCCC(=O)OCCCCC", - "inchi": "InChI=1S/C16H30O4/c1-3-5-9-13-19-15(17)11-7-8-12-16(18)20-14-10-6-4-2/h3-14H2,1-2H3" - }, - "molarweight": 286.214, - "m": 9.94865, - "sigma": 3.46701, - "epsilon_k": 229.8869, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "583-59-5", - "name": "2-methylcyclohexanol ", - "iupac_name": "2-methylcyclohexan-1-ol", - "smiles": "CC1CCCCC1O", - "inchi": "InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3" - }, - "molarweight": 114.104, - "m": 2.00747, - "sigma": 4.5, - "epsilon_k": 377.71247, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00073, - "epsilon_k_ab": 2857.96046 - } - ] - }, - { - "identifier": { - "cas": "66455-55-8", - "name": "2-butyl-3-hexyldecahydronaphthalene", - "iupac_name": "2-butyl-3-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "CCCCCCC1CC2CCCCC2CC1CCCC", - "inchi": "InChI=1S/C20H38/c1-3-5-7-8-12-18-16-20-14-10-9-13-19(20)15-17(18)11-6-4-2/h17-20H,3-16H2,1-2H3" - }, - "molarweight": 278.297, - "m": 7.21996, - "sigma": 3.9679, - "epsilon_k": 271.15638 - }, - { - "identifier": { - "cas": "90-42-6", - "name": "(1,1'-bicyclohexyl)-2-one", - "iupac_name": "2-cyclohexylcyclohexan-1-one", - "smiles": "O=C1CCCCC1C1CCCCC1", - "inchi": "InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2" - }, - "molarweight": 180.151, - "m": 4.87135, - "sigma": 3.7745, - "epsilon_k": 292.9591, - "mu": 2.92, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "104-61-0", - "name": "gamma-nonalactone", - "iupac_name": "5-pentyloxolan-2-one", - "smiles": "CCCCCC1CCC(=O)O1", - "inchi": "InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3" - }, - "molarweight": 156.115, - "m": 4.52819, - "sigma": 3.71779, - "epsilon_k": 311.46748, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "624-24-8", - "name": "methyl valerate", - "iupac_name": "methyl pentanoate", - "smiles": "CCCCC(=O)OC", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3" - }, - "molarweight": 116.084, - "m": 3.72591, - "sigma": 3.59685, - "epsilon_k": 252.9441, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "molarweight": 52.031, - "m": 2.54996, - "sigma": 3.29694, - "epsilon_k": 222.7416 - }, - { - "identifier": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "molarweight": 113.084, - "m": 4.07536, - "sigma": 3.3715, - "epsilon_k": 336.76939, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01229, - "epsilon_k_ab": 1425.78023 - } - ] - }, - { - "identifier": { - "cas": "106-18-3", - "name": "dodecanoic acid butyl ester", - "iupac_name": "butyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCCCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3" - }, - "molarweight": 256.24, - "m": 9.02208, - "sigma": 3.56685, - "epsilon_k": 232.33329, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "3074-71-3", - "name": "2,3-dimethylheptane", - "iupac_name": "2,3-dimethylheptane", - "smiles": "CCCCC(C)C(C)C", - "inchi": "InChI=1S/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3" - }, - "molarweight": 128.157, - "m": 3.81174, - "sigma": 3.94908, - "epsilon_k": 250.6705 - }, - { - "identifier": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "molarweight": 200.007, - "m": 4.75824, - "sigma": 3.23666, - "epsilon_k": 181.01353, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1000-63-1", - "name": "butyl tert-butyl ether", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]butane", - "smiles": "CCCCOC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3" - }, - "molarweight": 130.136, - "m": 4.08226, - "sigma": 3.79345, - "epsilon_k": 232.39197, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "541-31-1", - "name": "3-methyl-1-butanethiol", - "iupac_name": "3-methylbutane-1-thiol", - "smiles": "CC(C)CCS", - "inchi": "InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 104.066, - "m": 2.60553, - "sigma": 4.03409, - "epsilon_k": 292.28297, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03988, - "epsilon_k_ab": 868.45706 - } - ] - }, - { - "identifier": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "molarweight": 187.987, - "m": 3.32385, - "sigma": 3.43936, - "epsilon_k": 153.90597 - }, - { - "identifier": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "molarweight": 72.021, - "m": 1.33998, - "sigma": 4.1931, - "epsilon_k": 329.42843, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01854, - "epsilon_k_ab": 2881.10662 - } - ] - }, - { - "identifier": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "molarweight": 129.058, - "m": 3.21692, - "sigma": 3.75564, - "epsilon_k": 354.75915, - "mu": 2.29, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "75-62-7", - "name": "bromotrichloromethane [r10b1]", - "iupac_name": "bromo(trichloro)methane", - "smiles": "ClC(Cl)(Cl)Br", - "inchi": "InChI=1S/CBrCl3/c2-1(3,4)5" - }, - "molarweight": 195.825, - "m": 2.19573, - "sigma": 3.90927, - "epsilon_k": 328.03159 - }, - { - "identifier": { - "cas": "289-95-2", - "name": "pyrimidine", - "iupac_name": "pyrimidine", - "smiles": "c1cncnc1", - "inchi": "InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H" - }, - "molarweight": 80.037, - "m": 3.43346, - "sigma": 3.09619, - "epsilon_k": 268.54116, - "mu": 2.34, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "90-14-2", - "name": "1-iodonaphthalene", - "iupac_name": "1-iodonaphthalene", - "smiles": "Ic1cccc2ccccc12", - "inchi": "InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "molarweight": 253.959, - "m": 5.12148, - "sigma": 3.44441, - "epsilon_k": 309.37334 - }, - { - "identifier": { - "cas": "95-46-5", - "name": "2-bromotoluene", - "iupac_name": "1-bromo-2-methylbenzene", - "smiles": "Cc1ccccc1Br", - "inchi": "InChI=1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "molarweight": 169.973, - "m": 3.25433, - "sigma": 3.71536, - "epsilon_k": 312.95337 - }, - { - "identifier": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "molarweight": 94.042, - "m": 3.55333, - "sigma": 3.27469, - "epsilon_k": 303.75586, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00076, - "epsilon_k_ab": 2497.4878 - } - ] - }, - { - "identifier": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "molarweight": 224.25, - "m": 6.46842, - "sigma": 3.953, - "epsilon_k": 257.16335 - }, - { - "identifier": { - "cas": "293-96-9", - "name": "cyclodecane", - "iupac_name": "cyclodecane", - "smiles": "C1CCCCCCCCC1", - "inchi": "InChI=1S/C10H20/c1-2-4-6-8-10-9-7-5-3-1/h1-10H2" - }, - "molarweight": 140.157, - "m": 3.26094, - "sigma": 4.12988, - "epsilon_k": 318.26232 - }, - { - "identifier": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "molarweight": 98.073, - "m": 2.90368, - "sigma": 3.62022, - "epsilon_k": 299.07871, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "594-60-5", - "name": "2,3-dimethyl-2-butanol", - "iupac_name": "2,3-dimethylbutan-2-ol", - "smiles": "CC(C)C(C)(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3" - }, - "molarweight": 102.104, - "m": 2.81532, - "sigma": 3.94841, - "epsilon_k": 275.35173, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00074, - "epsilon_k_ab": 2662.17543 - } - ] - }, - { - "identifier": { - "cas": "7790-94-5", - "name": "chlorosulfuric acid", - "iupac_name": "sulfurochloridic acid", - "smiles": "O=S(=O)(O)Cl", - "inchi": "InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)" - }, - "molarweight": 115.933, - "m": 1.42272, - "sigma": 3.92108, - "epsilon_k": 194.6078, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00218, - "epsilon_k_ab": 4452.94999 - } - ] - }, - { - "identifier": { - "cas": "690-92-6", - "name": "cis-2,2-dimethyl-3-hexene", - "iupac_name": "(z)-2,2-dimethylhex-3-ene", - "smiles": "CC/C=C\\C(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6-" - }, - "molarweight": 112.125, - "m": 3.2486, - "sigma": 3.98744, - "epsilon_k": 250.91617 - }, - { - "identifier": { - "cas": "22410-44-2", - "name": "methyl perfluoroethyl ether", - "iupac_name": "1,1,1,2,2-pentafluoro-2-methoxyethane", - "smiles": "COC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c1-9-3(7,8)2(4,5)6/h1H3" - }, - "molarweight": 150.01, - "m": 3.4592, - "sigma": 3.37846, - "epsilon_k": 181.02752, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "513-38-2", - "name": "isobutyl iodide", - "iupac_name": "1-iodo-2-methylpropane", - "smiles": "CC(C)CI", - "inchi": "InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "molarweight": 183.975, - "m": 2.64978, - "sigma": 3.88999, - "epsilon_k": 301.80785 - }, - { - "identifier": { - "cas": "625-58-1", - "name": "ethylnitrate", - "iupac_name": "ethyl nitrate", - "smiles": "CCO[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3" - }, - "molarweight": 91.027, - "m": 2.94548, - "sigma": 3.32975, - "epsilon_k": 267.70696, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "536-74-3", - "name": "phenylacetylene", - "iupac_name": "ethynylbenzene", - "smiles": "C#Cc1ccccc1", - "inchi": "InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H" - }, - "molarweight": 102.047, - "m": 3.1651, - "sigma": 3.62216, - "epsilon_k": 291.36052 - }, - { - "identifier": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "molarweight": 17.027, - "m": 2.44608, - "sigma": 2.3709, - "epsilon_k": 213.57063, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "94-28-0", - "name": "triethylene glycol di-(2-ethylhexanoate)", - "iupac_name": "2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate", - "smiles": "CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC", - "inchi": "InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3" - }, - "molarweight": 402.298, - "m": 14.59692, - "sigma": 3.40083, - "epsilon_k": 215.22598, - "association_sites": [ - { - "nb": 6.0 - } - ] - }, - { - "identifier": { - "cas": "374-07-2", - "name": "1,1-dichloro tetrafluoro ethane [r114a]", - "iupac_name": "1,1-dichloro-1,2,2,2-tetrafluoroethane", - "smiles": "FC(F)(F)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(4,5)2(6,7)8" - }, - "molarweight": 169.931, - "m": 2.68124, - "sigma": 3.68922, - "epsilon_k": 206.24136 - }, - { - "identifier": { - "cas": "690-08-4", - "name": "trans-4,4-dimethyl-2-pentene", - "iupac_name": "(e)-4,4-dimethylpent-2-ene", - "smiles": "C/C=C/C(C)(C)C", - "inchi": "InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+" - }, - "molarweight": 98.11, - "m": 3.3141, - "sigma": 3.79482, - "epsilon_k": 230.38515 - }, - { - "identifier": { - "cas": "78-01-3", - "name": "1,1-diethylcyclohexane", - "iupac_name": "1,1-diethylcyclohexane", - "smiles": "CCC1(CC)CCCCC1", - "inchi": "InChI=1S/C10H20/c1-3-10(4-2)8-6-5-7-9-10/h3-9H2,1-2H3" - }, - "molarweight": 140.157, - "m": 4.6805, - "sigma": 3.67948, - "epsilon_k": 248.58161 - }, - { - "identifier": { - "cas": "578-54-1", - "name": "2-ethylaniline", - "iupac_name": "2-ethylaniline", - "smiles": "CCc1ccccc1N", - "inchi": "InChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3" - }, - "molarweight": 121.089, - "m": 4.15058, - "sigma": 3.47357, - "epsilon_k": 260.34656, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 1128.19806 - } - ] - }, - { - "identifier": { - "cas": "86-28-2", - "name": "9-ethylcarbazole", - "iupac_name": "9-ethylcarbazole", - "smiles": "CCn1c2ccccc2c2ccccc21", - "inchi": "InChI=1S/C14H13N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3" - }, - "molarweight": 195.105, - "m": 4.77542, - "sigma": 3.78804, - "epsilon_k": 341.28767, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "102013-94-5", - "name": "2,4,6-trimethylhexadecane", - "iupac_name": "2,4,6-trimethylhexadecane", - "smiles": "CCCCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C19H40/c1-6-7-8-9-10-11-12-13-14-18(4)16-19(5)15-17(2)3/h17-19H,6-16H2,1-5H3" - }, - "molarweight": 268.313, - "m": 8.94454, - "sigma": 3.73341, - "epsilon_k": 227.39873 - }, - { - "identifier": { - "cas": "74-83-9", - "name": "methyl bromide [r40b1]", - "iupac_name": "bromomethane", - "smiles": "CBr", - "inchi": "InChI=1S/CH3Br/c1-2/h1H3" - }, - "molarweight": 93.942, - "m": 1.9233, - "sigma": 3.31296, - "epsilon_k": 254.43855, - "mu": 1.81 - }, - { - "identifier": { - "cas": "77-78-1", - "name": "dimethyl sulfate", - "iupac_name": "dimethyl sulfate", - "smiles": "COS(=O)(=O)OC", - "inchi": "InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3" - }, - "molarweight": 125.999, - "m": 3.54415, - "sigma": 3.35867, - "epsilon_k": 286.50493, - "mu": 4.08, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "547-63-7", - "name": "2-methylpropanoic acid methyl ester", - "iupac_name": "methyl 2-methylpropanoate", - "smiles": "COC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3" - }, - "molarweight": 102.068, - "m": 3.57432, - "sigma": 3.46409, - "epsilon_k": 235.90718, - "mu": 1.8, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "molarweight": 88.016, - "m": 3.28139, - "sigma": 3.09982, - "epsilon_k": 324.99793, - "mu": 4.5, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "131-11-3", - "name": "phthalic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,2-dicarboxylate", - "smiles": "COC(=O)c1ccccc1C(=O)OC", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" - }, - "molarweight": 194.058, - "m": 4.349, - "sigma": 3.7961, - "epsilon_k": 328.39291, - "mu": 2.78, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "612-00-0", - "name": "1,1-diphenylethane", - "iupac_name": "1-phenylethylbenzene", - "smiles": "CC(c1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3" - }, - "molarweight": 182.11, - "m": 5.86418, - "sigma": 3.52086, - "epsilon_k": 270.01686 - }, - { - "identifier": { - "cas": "102-69-2", - "name": "tripropylamine", - "iupac_name": "n,n-dipropylpropan-1-amine", - "smiles": "CCCN(CCC)CCC", - "inchi": "InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3" - }, - "molarweight": 143.167, - "m": 3.99243, - "sigma": 3.98881, - "epsilon_k": 252.93432, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "7642-09-3", - "name": "cis-3-hexene", - "iupac_name": "(z)-hex-3-ene", - "smiles": "CC/C=C\\CC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-" - }, - "molarweight": 84.094, - "m": 2.73418, - "sigma": 3.87195, - "epsilon_k": 251.93898 - }, - { - "identifier": { - "cas": "933-05-1", - "name": "cyclopentyl acetate", - "iupac_name": "cyclopentyl acetate", - "smiles": "CC(=O)OC1CCCC1", - "inchi": "InChI=1S/C7H12O2/c1-6(8)9-7-4-2-3-5-7/h7H,2-5H2,1H3" - }, - "molarweight": 128.084, - "m": 4.11073, - "sigma": 3.50532, - "epsilon_k": 255.94038, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "2207-04-7", - "name": "trans-1,4-dimethylcyclohexane", - "iupac_name": "1,4-dimethylcyclohexane", - "smiles": "C[C@H]1CC[C@H](C)CC1", - "inchi": "InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8-" - }, - "molarweight": 112.125, - "m": 2.78307, - "sigma": 4.13972, - "epsilon_k": 285.82244 - }, - { - "identifier": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "molarweight": 114.009, - "m": 2.88557, - "sigma": 3.35657, - "epsilon_k": 175.92411 - }, - { - "identifier": { - "cas": "693-58-3", - "name": "1-nonylbromide", - "iupac_name": "1-bromononane", - "smiles": "CCCCCCCCCBr", - "inchi": "InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3" - }, - "molarweight": 206.067, - "m": 5.10036, - "sigma": 3.70925, - "epsilon_k": 260.15625 - }, - { - "identifier": { - "cas": "422-05-9", - "name": "2,2,3,3,3-pentafluoropropanol", - "iupac_name": "2,2,3,3,3-pentafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2" - }, - "molarweight": 150.01, - "m": 1.55253, - "sigma": 4.5, - "epsilon_k": 318.71048, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00052, - "epsilon_k_ab": 2938.58172 - } - ] - }, - { - "identifier": { - "cas": "1731-84-6", - "name": "nonanoic acid methyl ester", - "iupac_name": "methyl nonanoate", - "smiles": "CCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3" - }, - "molarweight": 172.146, - "m": 5.4393, - "sigma": 3.66905, - "epsilon_k": 248.62357, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1081-77-2", - "name": "nonylbenzene", - "iupac_name": "nonylbenzene", - "smiles": "CCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3" - }, - "molarweight": 204.188, - "m": 5.65331, - "sigma": 3.9043, - "epsilon_k": 274.67771 - }, - { - "identifier": { - "cas": "5131-66-8", - "name": "1,2-propylene glycol 1-monobutylether", - "iupac_name": "1-butoxypropan-2-ol", - "smiles": "CCCCOCC(C)O", - "inchi": "InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 132.115, - "m": 2.3998, - "sigma": 4.5, - "epsilon_k": 322.86201, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.00044, - "epsilon_k_ab": 2775.91852 - } - ] - }, - { - "identifier": { - "cas": "143-15-7", - "name": "1-bromododecane", - "iupac_name": "1-bromododecane", - "smiles": "CCCCCCCCCCCCBr", - "inchi": "InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3" - }, - "molarweight": 248.114, - "m": 7.92864, - "sigma": 3.45267, - "epsilon_k": 232.7916, - "mu": 1.86 - }, - { - "identifier": { - "cas": "694-59-7", - "name": "pyridine-n-oxide", - "iupac_name": "1-oxidopyridin-1-ium", - "smiles": "[O-][n+]1ccccc1", - "inchi": "InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 95.037, - "m": 4.08022, - "sigma": 3.04575, - "epsilon_k": 347.44756, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "14686-14-7", - "name": "trans-3-heptene", - "iupac_name": "(e)-hept-3-ene", - "smiles": "CC/C=C/CCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+" - }, - "molarweight": 98.11, - "m": 3.37267, - "sigma": 3.78115, - "epsilon_k": 241.8643 - }, - { - "identifier": { - "cas": "615-81-6", - "name": "diisopropyl oxalate", - "iupac_name": "dipropan-2-yl oxalate", - "smiles": "CC(C)OC(=O)C(=O)OC(C)C", - "inchi": "InChI=1S/C8H14O4/c1-5(2)11-7(9)8(10)12-6(3)4/h5-6H,1-4H3" - }, - "molarweight": 174.089, - "m": 5.99399, - "sigma": 3.39553, - "epsilon_k": 228.57798, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "563-45-1", - "name": "3-methyl-1-butene", - "iupac_name": "3-methylbut-1-ene", - "smiles": "C=CC(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3" - }, - "molarweight": 70.078, - "m": 2.47206, - "sigma": 3.7988, - "epsilon_k": 230.41994 - }, - { - "identifier": { - "cas": "691-37-2", - "name": "4-methyl-1-pentene", - "iupac_name": "4-methylpent-1-ene", - "smiles": "C=CCC(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" - }, - "molarweight": 84.094, - "m": 2.81875, - "sigma": 3.84828, - "epsilon_k": 236.7748 - }, - { - "identifier": { - "cas": "84-66-2", - "name": "phthalic acid diethyl ester", - "iupac_name": "diethyl benzene-1,2-dicarboxylate", - "smiles": "CCOC(=O)c1ccccc1C(=O)OCC", - "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" - }, - "molarweight": 222.089, - "m": 6.13936, - "sigma": 3.58305, - "epsilon_k": 277.05822, - "mu": 2.78, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "1732-10-1", - "name": "dimethyl ester nonanedioic acid", - "iupac_name": "dimethyl nonanedioate", - "smiles": "COC(=O)CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3" - }, - "molarweight": 216.136, - "m": 7.18912, - "sigma": 3.45916, - "epsilon_k": 248.23006, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "21297-65-4", - "name": "2,2,4,4,5,5-hexafluoro-1,3-dioxolane", - "iupac_name": "2,2,4,4,5,5-hexafluoro-1,3-dioxolane", - "smiles": "FC1(F)OC(F)(F)C(F)(F)O1", - "inchi": "InChI=1S/C3F6O2/c4-1(5)2(6,7)11-3(8,9)10-1" - }, - "molarweight": 181.98, - "m": 3.10928, - "sigma": 3.48854, - "epsilon_k": 170.86521, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "551-62-2", - "name": "1,2,3,4-tetrafluorobenzene", - "iupac_name": "1,2,3,4-tetrafluorobenzene", - "smiles": "Fc1ccc(F)c(F)c1F", - "inchi": "InChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H" - }, - "molarweight": 150.009, - "m": 3.29631, - "sigma": 3.48002, - "epsilon_k": 250.61995 - }, - { - "identifier": { - "cas": "584-94-1", - "name": "2,3-dimethylhexane", - "iupac_name": "2,3-dimethylhexane", - "smiles": "CCCC(C)C(C)C", - "inchi": "InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 114.141, - "m": 3.43277, - "sigma": 3.94351, - "epsilon_k": 250.15718 - }, - { - "identifier": { - "cas": "765-30-0", - "name": "cyclopropylamine", - "iupac_name": "cyclopropanamine", - "smiles": "NC1CC1", - "inchi": "InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2" - }, - "molarweight": 57.058, - "m": 3.24835, - "sigma": 2.8357, - "epsilon_k": 117.74637, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.9, - "epsilon_k_ab": 2038.01323 - } - ] - }, - { - "identifier": { - "cas": "7452-79-1", - "name": "2-methylbutanoic acid ethyl ester", - "iupac_name": "ethyl 2-methylbutanoate", - "smiles": "CCOC(=O)C(C)CC", - "inchi": "InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3" - }, - "molarweight": 130.099, - "m": 4.14141, - "sigma": 3.6209, - "epsilon_k": 239.35493, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "3452-09-3", - "name": "1-nonyne", - "iupac_name": "non-1-yne", - "smiles": "C#CCCCCCCC", - "inchi": "InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3" - }, - "molarweight": 124.125, - "m": 4.1734, - "sigma": 3.74311, - "epsilon_k": 247.64174 - }, - { - "identifier": { - "cas": "929-77-1", - "name": "docosanoic acid methyl ester", - "iupac_name": "methyl docosanoate", - "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3" - }, - "molarweight": 354.35, - "m": 11.73965, - "sigma": 3.65715, - "epsilon_k": 240.15055, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "molarweight": 27.011, - "m": 2.72334, - "sigma": 2.64506, - "epsilon_k": 170.34538, - "mu": 2.98, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "molarweight": 53.027, - "m": 2.39589, - "sigma": 3.34511, - "epsilon_k": 225.19945, - "mu": 3.87, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "molarweight": 222.147, - "m": 7.18702, - "sigma": 3.53037, - "epsilon_k": 243.85232, - "mu": 2.47, - "association_sites": [ - { - "nb": 5.0 - } - ] - }, - { - "identifier": { - "cas": "115209-60-4", - "name": "2,4-dimethylnonadecane", - "smiles": "CCCCCCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4)19-20(2)3/h20-21H,5-19H2,1-4H3" - }, - "molarweight": 296.344, - "m": 12.19959, - "sigma": 3.46156, - "epsilon_k": 212.06877 - }, - { - "identifier": { - "cas": "17312-80-0", - "name": "2,4-dimethylundecane", - "iupac_name": "2,4-dimethylundecane", - "smiles": "CCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C13H28/c1-5-6-7-8-9-10-13(4)11-12(2)3/h12-13H,5-11H2,1-4H3" - }, - "molarweight": 184.219, - "m": 5.67293, - "sigma": 3.87685, - "epsilon_k": 241.47393 - }, - { - "identifier": { - "cas": "54-11-5", - "name": "l-nicotine", - "iupac_name": "3-[(2s)-1-methylpyrrolidin-2-yl]pyridine", - "smiles": "CN1CCC[C@H]1c1cccnc1", - "inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1" - }, - "molarweight": 162.116, - "m": 4.23399, - "sigma": 3.77392, - "epsilon_k": 304.96567, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "10102-44-0", - "name": "nitrogen dioxide", - "smiles": "[O]N=O", - "inchi": "InChI=1S/NO2/c2-1-3" - }, - "molarweight": 45.993, - "m": 5.4723, - "sigma": 1.9, - "epsilon_k": 168.28084, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "994-65-0", - "name": "tetrapropylgermane", - "iupac_name": "tetrapropylgermane", - "smiles": "CCC[Ge](CCC)(CCC)CCC", - "inchi": "InChI=1S/C12H28Ge/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3" - }, - "molarweight": 246.14, - "m": 5.89559, - "sigma": 3.90291, - "epsilon_k": 241.05822 - }, - { - "identifier": { - "cas": "90-15-3", - "name": "1-naphthol", - "iupac_name": "naphthalen-1-ol", - "smiles": "Oc1cccc2ccccc12", - "inchi": "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" - }, - "molarweight": 144.058, - "m": 4.44105, - "sigma": 3.41857, - "epsilon_k": 330.16927, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0 - } - ] - }, - { - "identifier": { - "cas": "539-30-0", - "name": "benzyl ethyl ether", - "iupac_name": "ethoxymethylbenzene", - "smiles": "CCOCc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3" - }, - "molarweight": 136.089, - "m": 4.16297, - "sigma": 3.61903, - "epsilon_k": 273.55042, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "54964-83-9", - "name": "1,4-dimethyl-5-octyldecahydronaphthalene", - "iupac_name": "1,4-dimethyl-5-octyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "CCCCCCCCC1CCCC2C(C)CCC(C)C12", - "inchi": "InChI=1S/C20H38/c1-4-5-6-7-8-9-11-18-12-10-13-19-16(2)14-15-17(3)20(18)19/h16-20H,4-15H2,1-3H3" - }, - "molarweight": 278.297, - "m": 6.37881, - "sigma": 4.14794, - "epsilon_k": 287.65957 - }, - { - "identifier": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "molarweight": 237.984, - "m": 3.75759, - "sigma": 3.56412, - "epsilon_k": 163.97853 - }, - { - "identifier": { - "cas": "62016-37-9", - "name": "2,4,6-trimethyloctane", - "iupac_name": "2,4,6-trimethyloctane", - "smiles": "CCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C11H24/c1-6-10(4)8-11(5)7-9(2)3/h9-11H,6-8H2,1-5H3" - }, - "molarweight": 156.188, - "m": 4.7027, - "sigma": 3.90943, - "epsilon_k": 238.88753 - }, - { - "identifier": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "molarweight": 48.038, - "m": 2.19738, - "sigma": 3.23073, - "epsilon_k": 191.00084, - "mu": 1.94 - }, - { - "identifier": { - "cas": "631-36-7", - "name": "tetraethylsilane", - "iupac_name": "tetraethylsilane", - "smiles": "CC[Si](CC)(CC)CC", - "inchi": "InChI=1S/C8H20Si/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3" - }, - "molarweight": 144.133, - "m": 3.76129, - "sigma": 4.07332, - "epsilon_k": 259.00747 - }, - { - "identifier": { - "cas": "1003-38-9", - "name": "2,5-dimethyltetrahydrofuran", - "iupac_name": "2,5-dimethyloxolane", - "smiles": "CC1CCC(C)O1", - "inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 100.089, - "m": 2.94283, - "sigma": 3.77423, - "epsilon_k": 261.28875, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "79-04-9", - "name": "chloroacetyl chloride", - "iupac_name": "2-chloroacetyl chloride", - "smiles": "O=C(Cl)CCl", - "inchi": "InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2" - }, - "molarweight": 111.948, - "m": 3.54927, - "sigma": 3.08318, - "epsilon_k": 250.59059, - "mu": 2.23, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "108-55-4", - "name": "tetrahydropyran-2,6-dione", - "iupac_name": "oxane-2,6-dione", - "smiles": "O=C1CCCC(=O)O1", - "inchi": "InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2" - }, - "molarweight": 114.032, - "m": 4.11487, - "sigma": 3.17035, - "epsilon_k": 353.91708, - "association_sites": [ - { - "nb": 3.0 - } - ] - }, - { - "identifier": { - "cas": "638-04-0", - "name": "cis-1,3-dimethyl cyclohexane", - "iupac_name": "(1r,3s)-1,3-dimethylcyclohexane", - "smiles": "C[C@@H]1CCC[C@H](C)C1", - "inchi": "InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+" - }, - "molarweight": 112.125, - "m": 2.91375, - "sigma": 4.06102, - "epsilon_k": 282.12994 - }, - { - "identifier": { - "cas": "7783-77-9", - "name": "molybdenum hexafluoride", - "iupac_name": "hexafluoromolybdenum", - "smiles": "[F-].[F-].[F-].[F-].[F-].[F-].[Mo+6]", - "inchi": "InChI=1S/6FH.Mo/h6*1H;/q;;;;;;+6/p-6" - }, - "molarweight": 211.896, - "m": 2.71801, - "sigma": 3.3792, - "epsilon_k": 235.68763 - }, - { - "identifier": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "molarweight": 138.141, - "m": 3.04287, - "sigma": 4.18444, - "epsilon_k": 319.77343 - }, - { - "identifier": { - "cas": "99916-30-0", - "name": "n,n-dimethyl-2-pentyl-1-nonanamine", - "iupac_name": "n,n-dimethyl-2-pentylnonan-1-amine", - "smiles": "CCCCCCCC(CCCCC)CN(C)C", - "inchi": "InChI=1S/C16H35N/c1-5-7-9-10-12-14-16(15-17(3)4)13-11-8-6-2/h16H,5-15H2,1-4H3" - }, - "molarweight": 241.277, - "m": 6.85322, - "sigma": 3.93834, - "epsilon_k": 246.47036, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "771-56-2", - "name": "2,3,4,5,6-pentafluorotoluene", - "iupac_name": "1,2,3,4,5-pentafluoro-6-methylbenzene", - "smiles": "Cc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3" - }, - "molarweight": 182.015, - "m": 3.84448, - "sigma": 3.51167, - "epsilon_k": 242.33665 - }, - { - "identifier": { - "cas": "2998-08-5", - "name": "sec-butylacrylate", - "iupac_name": "butan-2-yl prop-2-enoate", - "smiles": "C=CC(=O)OC(C)CC", - "inchi": "InChI=1S/C7H12O2/c1-4-6(3)9-7(8)5-2/h5-6H,2,4H2,1,3H3" - }, - "molarweight": 128.084, - "m": 2.67638, - "sigma": 4.17861, - "epsilon_k": 310.42335, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "513-44-0", - "name": "iso-butylmercaptan", - "iupac_name": "2-methylpropane-1-thiol", - "smiles": "CC(C)CS", - "inchi": "InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "molarweight": 90.05, - "m": 2.62846, - "sigma": 3.7927, - "epsilon_k": 277.90311, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.00164, - "epsilon_k_ab": 1061.79222 - } - ] - }, - { - "identifier": { - "cas": "25163-52-4", - "name": "5-methyldocosane", - "smiles": "CCCCCCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C23H48/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-7-5-2/h23H,4-22H2,1-3H3" - }, - "molarweight": 324.376, - "m": 9.01707, - "sigma": 3.99215, - "epsilon_k": 254.83602 - }, - { - "identifier": { - "cas": "55-18-5", - "name": "n-ethyl-n-nitroso ethanamine", - "iupac_name": "n,n-diethylnitrous amide", - "smiles": "CCN(CC)N=O", - "inchi": "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3" - }, - "molarweight": 102.079, - "m": 3.64979, - "sigma": 3.45216, - "epsilon_k": 293.04664, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "6418-43-5", - "name": "3-methylhexadecane", - "iupac_name": "3-methylhexadecane", - "smiles": "CCCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,4-16H2,1-3H3" - }, - "molarweight": 240.282, - "m": 7.10913, - "sigma": 3.92049, - "epsilon_k": 250.63762 - }, - { - "identifier": { - "cas": "1647-16-1", - "name": "1,9-decadiene", - "iupac_name": "deca-1,9-diene", - "smiles": "C=CCCCCCCC=C", - "inchi": "InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2" - }, - "molarweight": 138.141, - "m": 4.91623, - "sigma": 3.67236, - "epsilon_k": 234.35031 - }, - { - "identifier": { - "cas": "630-20-6", - "name": "1,1,1,2-tetrachloroethane [r130a]", - "iupac_name": "1,1,1,2-tetrachloroethane", - "smiles": "ClCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2" - }, - "molarweight": 165.891, - "m": 2.87948, - "sigma": 3.70282, - "epsilon_k": 297.22657, - "mu": 1.29 - }, - { - "identifier": { - "cas": "2207-03-6", - "name": "trans-1,3-dimethyl cyclohexane", - "iupac_name": "(1r,3r)-1,3-dimethylcyclohexane", - "smiles": "C[C@H]1CCC[C@H](C)C1", - "inchi": "InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1" - }, - "molarweight": 112.125, - "m": 2.53693, - "sigma": 4.25073, - "epsilon_k": 304.4257 - }, - { - "identifier": { - "cas": "10061-01-5", - "name": "cis-1,3-dichloro-1-propene", - "iupac_name": "(z)-1,3-dichloroprop-1-ene", - "smiles": "Cl/C=C\\CCl", - "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-" - }, - "molarweight": 109.969, - "m": 2.78101, - "sigma": 3.52289, - "epsilon_k": 284.90215, - "mu": 1.79 - }, - { - "identifier": { - "cas": "25117-36-6", - "name": "5-methyleicosane", - "iupac_name": "5-methylicosane", - "smiles": "CCCCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C21H44/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-7-5-2/h21H,4-20H2,1-3H3" - }, - "molarweight": 296.344, - "m": 8.39054, - "sigma": 3.97055, - "epsilon_k": 254.0777 - }, - { - "identifier": { - "cas": "592-27-8", - "name": "2-methylheptane", - "iupac_name": "2-methylheptane", - "smiles": "CCCCCC(C)C", - "inchi": "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "molarweight": 114.141, - "m": 3.67088, - "sigma": 3.88394, - "epsilon_k": 242.29289 - }, - { - "identifier": { - "cas": "124-73-2", - "name": "1,2-dibromotetrafluoroethane", - "iupac_name": "1,2-dibromo-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Br)C(F)(F)Br", - "inchi": "InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8" - }, - "molarweight": 257.83, - "m": 2.72195, - "sigma": 3.79323, - "epsilon_k": 238.22957 - }, - { - "identifier": { - "cas": "110-89-4", - "name": "piperidine", - "iupac_name": "piperidine", - "smiles": "C1CCNCC1", - "inchi": "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2" - }, - "molarweight": 85.089, - "m": 2.61685, - "sigma": 3.7246, - "epsilon_k": 291.63502, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01234, - "epsilon_k_ab": 1043.08819 - } - ] - }, - { - "identifier": { - "cas": "55282-13-8", - "name": "5,14-dibutyloctadecane", - "iupac_name": "5,14-dibutyloctadecane", - "smiles": "CCCCC(CCCC)CCCCCCCCC(CCCC)CCCC", - "inchi": "InChI=1S/C26H54/c1-5-9-19-25(20-10-6-2)23-17-15-13-14-16-18-24-26(21-11-7-3)22-12-8-4/h25-26H,5-24H2,1-4H3" - }, - "molarweight": 366.423, - "m": 9.49068, - "sigma": 4.07411, - "epsilon_k": 255.43755 - }, - { - "identifier": { - "cas": "354-58-5", - "name": "1,1,1-trichloro-2,2,2-trifluoro ethane [r113a]", - "iupac_name": "1,1,1-trichloro-2,2,2-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,5)2(6,7)8" - }, - "molarweight": 185.902, - "m": 2.73686, - "sigma": 3.77704, - "epsilon_k": 236.46641 - }, - { - "identifier": { - "cas": "4292-75-5", - "name": "hexylcyclohexane", - "iupac_name": "hexylcyclohexane", - "smiles": "CCCCCCC1CCCCC1", - "inchi": "InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3" - }, - "molarweight": 168.188, - "m": 4.50983, - "sigma": 4.00147, - "epsilon_k": 276.55133 - }, - { - "identifier": { - "cas": "95-87-4", - "name": "2,5-dimethylphenol", - "iupac_name": "2,5-dimethylphenol", - "smiles": "Cc1ccc(C)c(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3" - }, - "molarweight": 122.073, - "m": 2.21715, - "sigma": 4.16263, - "epsilon_k": 218.51135, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.05809, - "epsilon_k_ab": 3815.9284 - } - ] - }, - { - "identifier": { - "cas": "50807-74-4", - "name": "1,1,1,2,2,-pentafluoro-3-(1,1,2,2-tetrafluoroethoxy) propane", - "iupac_name": "1,1,1,2,2-pentafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5H3F9O/c6-2(7)4(10,11)15-1-3(8,9)5(12,13)14/h2H,1H2" - }, - "molarweight": 250.004, - "m": 5.05078, - "sigma": 3.38909, - "epsilon_k": 180.66796, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "622-39-9", - "name": "2-propylpyridine", - "iupac_name": "2-propylpyridine", - "smiles": "CCCc1ccccn1", - "inchi": "InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3" - }, - "molarweight": 121.089, - "m": 3.59754, - "sigma": 3.69645, - "epsilon_k": 285.72078, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "18435-20-6", - "name": "2,3-dimethyltridecane", - "iupac_name": "2,3-dimethyltridecane", - "smiles": "CCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C15H32/c1-5-6-7-8-9-10-11-12-13-15(4)14(2)3/h14-15H,5-13H2,1-4H3" - }, - "molarweight": 212.25, - "m": 5.56484, - "sigma": 4.09433, - "epsilon_k": 265.68219 - }, - { - "identifier": { - "cas": "1070-87-7", - "name": "2,2,4,4-tetramethylpentane", - "iupac_name": "2,2,4,4-tetramethylpentane", - "smiles": "CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3" - }, - "molarweight": 128.157, - "m": 3.23856, - "sigma": 4.1762, - "epsilon_k": 259.96116 - }, - { - "identifier": { - "cas": "55000-56-1", - "name": "2-butyl-3-hexylnaphthalene", - "iupac_name": "2-butyl-3-hexylnaphthalene", - "smiles": "CCCCCCc1cc2ccccc2cc1CCCC", - "inchi": "InChI=1S/C20H28/c1-3-5-7-8-12-18-16-20-14-10-9-13-19(20)15-17(18)11-6-4-2/h9-10,13-16H,3-8,11-12H2,1-2H3" - }, - "molarweight": 268.219, - "m": 6.67505, - "sigma": 3.96247, - "epsilon_k": 294.46499 - }, - { - "identifier": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "smiles": "Fc1ccc(F)cc1", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "molarweight": 114.028, - "m": 2.96517, - "sigma": 3.5154, - "epsilon_k": 263.29915 - }, - { - "identifier": { - "cas": "103392-36-5", - "name": "2,4,6-trimethyltridecane", - "smiles": "CCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C16H34/c1-6-7-8-9-10-11-15(4)13-16(5)12-14(2)3/h14-16H,6-13H2,1-5H3" - }, - "molarweight": 226.266, - "m": 7.50338, - "sigma": 3.74566, - "epsilon_k": 225.16071 - }, - { - "identifier": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "molarweight": 74.037, - "m": 2.99161, - "sigma": 3.25305, - "epsilon_k": 235.44098, - "mu": 1.93, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "105-30-6", - "name": "2-methyl-1-pentanol", - "iupac_name": "2-methylpentan-1-ol", - "smiles": "CCCC(C)CO", - "inchi": "InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "m": 4.85376, - "sigma": 3.25213, - "epsilon_k": 217.31037, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03599, - "epsilon_k_ab": 1942.15829 - } - ] - }, - { - "identifier": { - "cas": "367-11-3", - "name": "1,2-difluorobenzene", - "iupac_name": "1,2-difluorobenzene", - "smiles": "Fc1ccccc1F", - "inchi": "InChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "molarweight": 114.028, - "m": 2.88704, - "sigma": 3.56184, - "epsilon_k": 263.65695, - "mu": 2.51 - }, - { - "identifier": { - "cas": "122-39-4", - "name": "diphenylamine", - "iupac_name": "n-phenylaniline", - "smiles": "c1ccc(Nc2ccccc2)cc1", - "inchi": "InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" - }, - "molarweight": 169.089, - "m": 2.52788, - "sigma": 4.44856, - "epsilon_k": 407.71616, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03372, - "epsilon_k_ab": 2471.88495 - } - ] - }, - { - "identifier": { - "cas": "627-20-3", - "name": "cis-2-pentene", - "iupac_name": "(z)-pent-2-ene", - "smiles": "C/C=C\\CC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-" - }, - "molarweight": 70.078, - "m": 2.6404, - "sigma": 3.68875, - "epsilon_k": 236.49912 - }, - { - "identifier": { - "cas": "591-47-9", - "name": "4-methylcyclohexene", - "iupac_name": "4-methylcyclohexene", - "smiles": "CC1CC=CCC1", - "inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3" - }, - "molarweight": 96.094, - "m": 1.98782, - "sigma": 4.3506, - "epsilon_k": 338.26484 - }, - { - "identifier": { - "cas": "5194-51-4", - "name": "trans,trans-2,4-hexadiene", - "iupac_name": "(2e,4e)-hexa-2,4-diene", - "smiles": "C/C=C/C=C/C", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+" - }, - "molarweight": 82.078, - "m": 3.02676, - "sigma": 3.66496, - "epsilon_k": 251.30399 - }, - { - "identifier": { - "cas": "57-14-7", - "name": "1,1-dimethylhydrazine", - "iupac_name": "1,1-dimethylhydrazine", - "smiles": "CN(C)N", - "inchi": "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3" - }, - "molarweight": 60.069, - "m": 5.129, - "sigma": 2.56074, - "epsilon_k": 130.85909, - "association_sites": [ - { - "na": 1.0, - "nb": 2.0, - "kappa_ab": 0.72037, - "epsilon_k_ab": 1426.54326 - } - ] - }, - { - "identifier": { - "cas": "16747-30-1", - "name": "2,4,4-trimethylhexane", - "iupac_name": "2,4,4-trimethylhexane", - "smiles": "CCC(C)(C)CC(C)C", - "inchi": "InChI=1S/C9H20/c1-6-9(4,5)7-8(2)3/h8H,6-7H2,1-5H3" - }, - "molarweight": 128.157, - "m": 3.44197, - "sigma": 4.08813, - "epsilon_k": 257.53965 - }, - { - "identifier": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "molarweight": 84.094, - "m": 2.83582, - "sigma": 3.77953, - "epsilon_k": 252.78743 - }, - { - "identifier": { - "cas": "1187-03-7", - "name": "tetraethylurea", - "iupac_name": "1,1,3,3-tetraethylurea", - "smiles": "CCN(CC)C(=O)N(CC)CC", - "inchi": "InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3" - }, - "molarweight": 172.158, - "m": 7.11008, - "sigma": 3.2731, - "epsilon_k": 210.75338, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "molarweight": 102.068, - "m": 3.72003, - "sigma": 3.43834, - "epsilon_k": 227.83831, - "mu": 1.75, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "624-22-6", - "name": "2-methyl-1-hexanol", - "iupac_name": "2-methylhexan-1-ol", - "smiles": "CCCCC(C)CO", - "inchi": "InChI=1S/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 116.12, - "m": 3.06366, - "sigma": 3.64828, - "epsilon_k": 115.06955, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.04465, - "epsilon_k_ab": 4558.99446 - } - ] - }, - { - "identifier": { - "cas": "110-53-2", - "name": "1-bromopentane", - "iupac_name": "1-bromopentane", - "smiles": "CCCCCBr", - "inchi": "InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "molarweight": 150.004, - "m": 2.53246, - "sigma": 4.06116, - "epsilon_k": 311.06718, - "mu": 2.2 - }, - { - "identifier": { - "cas": "583-61-9", - "name": "2,3-dimethylpyridine", - "iupac_name": "2,3-dimethylpyridine", - "smiles": "Cc1cccnc1C", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3" - }, - "molarweight": 107.073, - "m": 3.33875, - "sigma": 3.60308, - "epsilon_k": 293.64986, - "mu": 2.07, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "molarweight": 86.11, - "m": 2.89666, - "sigma": 3.85139, - "epsilon_k": 239.88093 - }, - { - "identifier": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "molarweight": 102.104, - "m": 3.90467, - "sigma": 3.5498, - "epsilon_k": 221.68777, - "mu": 1.2, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "693-89-0", - "name": "1-methyl cyclopentene", - "iupac_name": "1-methylcyclopentene", - "smiles": "CC1=CCCC1", - "inchi": "InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3" - }, - "molarweight": 82.078, - "m": 2.74654, - "sigma": 3.68159, - "epsilon_k": 262.00979 - }, - { - "identifier": { - "cas": "29118-25-0", - "name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C\\C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1-" - }, - "molarweight": 114.009, - "m": 3.20583, - "sigma": 3.27057, - "epsilon_k": 194.84122 - }, - { - "identifier": { - "cas": "597-63-7", - "name": "tetraethylgermane", - "iupac_name": "tetraethylgermane", - "smiles": "CC[Ge](CC)(CC)CC", - "inchi": "InChI=1S/C8H20Ge/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3" - }, - "molarweight": 190.078, - "m": 3.18893, - "sigma": 4.35286, - "epsilon_k": 291.20953 - }, - { - "identifier": { - "cas": "126-71-6", - "name": "triisobutyl phosphate", - "iupac_name": "tris(2-methylpropyl) phosphate", - "smiles": "CC(C)COP(=O)(OCC(C)C)OCC(C)C", - "inchi": "InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3" - }, - "molarweight": 266.165, - "m": 5.9554, - "sigma": 4.00632, - "epsilon_k": 261.3928, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "7553-56-2", - "name": "iodine", - "iupac_name": "molecular iodine", - "smiles": "II", - "inchi": "InChI=1S/I2/c1-2" - }, - "molarweight": 253.809, - "m": 2.02474, - "sigma": 3.50445, - "epsilon_k": 443.64679 - }, - { - "identifier": { - "cas": "10075-38-4", - "name": "cis-1,3-dichloro-2-butene", - "iupac_name": "(z)-1,3-dichlorobut-2-ene", - "smiles": "C/C(Cl)=C/CCl", - "inchi": "InChI=1S/C4H6Cl2/c1-4(6)2-3-5/h2H,3H2,1H3/b4-2-" - }, - "molarweight": 123.985, - "m": 2.93893, - "sigma": 3.67459, - "epsilon_k": 290.80849, - "mu": 2.15 - }, - { - "identifier": { - "cas": "111-34-2", - "name": "butyl vinyl ether", - "iupac_name": "1-ethenoxybutane", - "smiles": "C=COCCCC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3" - }, - "molarweight": 100.089, - "m": 3.4919, - "sigma": 3.62248, - "epsilon_k": 238.02017, - "mu": 1.25, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "10210-64-7", - "name": "bis(acetylacetonato)beryllium(ii)", - "iupac_name": "beryllium;(z)-4-oxopent-2-en-2-olate", - "smiles": "CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Be+2]", - "inchi": "InChI=1S/2C5H8O2.Be/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;" - }, - "molarweight": 207.101, - "m": 6.13034, - "sigma": 3.50934, - "epsilon_k": 272.01924, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "1003-73-2", - "name": "3-picoline-n-oxide", - "iupac_name": "3-methyl-1-oxidopyridin-1-ium", - "smiles": "Cc1ccc[n+]([O-])c1", - "inchi": "InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3" - }, - "molarweight": 109.053, - "m": 1.86628, - "sigma": 4.27713, - "epsilon_k": 550.0, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "605-01-6", - "name": "pentaethylbenzene", - "iupac_name": "1,2,3,4,5-pentaethylbenzene", - "smiles": "CCc1cc(CC)c(CC)c(CC)c1CC", - "inchi": "InChI=1S/C16H26/c1-6-12-11-13(7-2)15(9-4)16(10-5)14(12)8-3/h11H,6-10H2,1-5H3" - }, - "molarweight": 218.203, - "m": 5.01572, - "sigma": 4.09349, - "epsilon_k": 288.23804 - }, - { - "identifier": { - "cas": "1678-98-4", - "name": "(2-methylpropyl)-cyclohexane", - "iupac_name": "2-methylpropylcyclohexane", - "smiles": "CC(C)CC1CCCCC1", - "inchi": "InChI=1S/C10H20/c1-9(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3" - }, - "molarweight": 140.157, - "m": 3.70494, - "sigma": 4.01862, - "epsilon_k": 274.48446 - }, - { - "identifier": { - "cas": "7289-52-3", - "name": "decyl methyl ether", - "iupac_name": "1-methoxydecane", - "smiles": "CCCCCCCCCCOC", - "inchi": "InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3" - }, - "molarweight": 172.183, - "m": 5.45343, - "sigma": 3.77925, - "epsilon_k": 246.99503, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "1795-15-9", - "name": "1-cyclohexyloctane", - "iupac_name": "octylcyclohexane", - "smiles": "CCCCCCCCC1CCCCC1", - "inchi": "InChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3" - }, - "molarweight": 196.219, - "m": 5.14602, - "sigma": 4.03342, - "epsilon_k": 277.80431 - }, - { - "identifier": { - "cas": "106-19-4", - "name": "dipropyl adipate", - "iupac_name": "dipropyl hexanedioate", - "smiles": "CCCOC(=O)CCCCC(=O)OCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3" - }, - "molarweight": 230.152, - "m": 6.74965, - "sigma": 3.65092, - "epsilon_k": 254.92813, - "association_sites": [ - { - "nb": 4.0 - } - ] - }, - { - "identifier": { - "cas": "53772-78-4", - "name": "difluorobis(trifluoromethoxy)methane", - "iupac_name": "difluoro-bis(trifluoromethoxy)methane", - "smiles": "FC(F)(F)OC(F)(F)OC(F)(F)F", - "inchi": "InChI=1S/C3F8O2/c4-1(5,6)12-3(10,11)13-2(7,8)9" - }, - "molarweight": 219.977, - "m": 3.96445, - "sigma": 3.41116, - "epsilon_k": 155.48554, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "425-82-1", - "name": "hexafluorooxetane", - "iupac_name": "2,2,3,3,4,4-hexafluorooxetane", - "smiles": "FC1(F)OC(F)(F)C1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(5)2(6,7)10-3(1,8)9" - }, - "molarweight": 165.985, - "m": 3.34601, - "sigma": 3.30559, - "epsilon_k": 160.92272, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "13450-90-3", - "name": "gallium trichloride", - "iupac_name": "trichlorogallane", - "smiles": "[Cl-].[Cl-].[Cl-].[Ga+3]", - "inchi": "InChI=1S/3ClH.Ga/h3*1H;/q;;;+3/p-3" - }, - "molarweight": 173.832, - "m": 3.18028, - "sigma": 3.32436, - "epsilon_k": 274.301, - "mu": 5.1 - }, - { - "identifier": { - "cas": "1649-08-7", - "name": "1,2-dichloro-1,1-difluoroethane [r132b]", - "iupac_name": "1,2-dichloro-1,1-difluoroethane", - "smiles": "FC(F)(Cl)CCl", - "inchi": "InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2" - }, - "molarweight": 133.95, - "m": 2.98932, - "sigma": 3.41457, - "epsilon_k": 230.3465 - }, - { - "identifier": { - "cas": "594-83-2", - "name": "2,3,3-trimethyl-2-butanol", - "iupac_name": "2,3,3-trimethylbutan-2-ol", - "smiles": "CC(C)(C)C(C)(C)O", - "inchi": "InChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3" - }, - "molarweight": 116.12, - "m": 3.36363, - "sigma": 3.84237, - "epsilon_k": 251.91321, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.01392, - "epsilon_k_ab": 1774.62555 - } - ] - }, - { - "identifier": { - "cas": "765-43-5", - "name": "cyclopropyl methyl ketone", - "iupac_name": "1-cyclopropylethanone", - "smiles": "CC(=O)C1CC1", - "inchi": "InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3" - }, - "molarweight": 84.058, - "m": 2.83146, - "sigma": 3.54726, - "epsilon_k": 289.89884, - "association_sites": [ - { - "nb": 1.0 - } - ] - }, - { - "identifier": { - "cas": "421-58-9", - "name": "(trifluoromethyl)phosphonous dichloride", - "iupac_name": "dichloro(trifluoromethyl)phosphane", - "smiles": "FC(F)(F)P(Cl)Cl", - "inchi": "InChI=1S/CCl2F3P/c2-7(3)1(4,5)6" - }, - "molarweight": 169.907, - "m": 2.41179, - "sigma": 3.85678, - "epsilon_k": 251.21405 - }, - { - "identifier": { - "cas": "765-85-5", - "name": "methyl cyclobutanecarboxylate", - "iupac_name": "methyl cyclobutanecarboxylate", - "smiles": "COC(=O)C1CCC1", - "inchi": "InChI=1S/C6H10O2/c1-8-6(7)5-3-2-4-5/h5H,2-4H2,1H3" - }, - "molarweight": 114.068, - "m": 3.81207, - "sigma": 3.43969, - "epsilon_k": 256.7895, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1450-14-2", - "name": "hexamethyldisilane", - "iupac_name": "trimethyl(trimethylsilyl)silane", - "smiles": "C[Si](C)(C)[Si](C)(C)C", - "inchi": "InChI=1S/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3" - }, - "molarweight": 146.095, - "m": 3.55018, - "sigma": 4.2006, - "epsilon_k": 238.19937 - }, - { - "identifier": { - "cas": "2568-90-3", - "name": "dibutoxymethane", - "iupac_name": "1-(butoxymethoxy)butane", - "smiles": "CCCCOCOCCCC", - "inchi": "InChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3" - }, - "molarweight": 160.146, - "m": 4.76082, - "sigma": 3.78343, - "epsilon_k": 245.26317, - "association_sites": [ - { - "nb": 2.0 - } - ] - }, - { - "identifier": { - "cas": "1795-09-1", - "name": "2-methyl-thiacyclopentane", - "iupac_name": "2-methylthiolane", - "smiles": "CC1CCCS1", - "inchi": "InChI=1S/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "molarweight": 102.05, - "m": 2.76704, - "sigma": 3.75411, - "epsilon_k": 306.5766, - "association_sites": [ - { - "nb": 1.0 - } - ] - } -] \ No newline at end of file diff --git a/parameters/pcsaft/gc_substances.json b/parameters/pcsaft/gc_substances.json deleted file mode 100644 index 4f84d14ee..000000000 --- a/parameters/pcsaft/gc_substances.json +++ /dev/null @@ -1,2466 +0,0 @@ -[ - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "segments": [ - "CH3", - "OH" - ] - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3", - "formula": "C2H6O" - }, - "segments": [ - "CH3", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", - "formula": "C4H10O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", - "formula": "C6H14O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3", - "formula": "C7H16O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", - "formula": "C8H18O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", - "formula": "C9H20O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3", - "formula": "C3H8O" - }, - "segments": [ - "CH3", - ">CH", - "OH", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 1, - 3 - ] - ] - }, - { - "identifier": { - "cas": "75-85-4", - "name": "2-methyl-2-butanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3", - "formula": "C5H12O" - }, - "segments": [ - "CH3", - "CH2", - ">C<", - "CH3", - "CH3", - "OH" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 2, - 4 - ], - [ - 2, - 5 - ] - ] - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1/CH5N/c1-2/h2H2,1H3", - "formula": "CH5N" - }, - "segments": [ - "CH3", - "NH2" - ] - }, - { - "identifier": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1/C2H7N/c1-2-3/h2-3H2,1H3", - "formula": "C2H7N" - }, - "segments": [ - "CH3", - "CH2", - "NH2" - ] - }, - { - "identifier": { - "cas": "107-10-8", - "name": "1-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1/C3H9N/c1-2-3-4/h2-4H2,1H3", - "formula": "C3H9N" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "NH2" - ] - }, - { - "identifier": { - "cas": "75-31-0", - "name": "2-propylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1/C3H9N/c1-3(2)4/h3H,4H2,1-2H3", - "formula": "C3H9N" - }, - "segments": [ - "CH3", - ">CH", - "CH3", - "NH2" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 1, - 3 - ] - ] - }, - { - "identifier": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2", - "formula": "C6H7N" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "NH2" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 0, - 5 - ], - [ - 5, - 6 - ] - ] - }, - { - "identifier": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(O)=O", - "inchi": "InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/f/h3H", - "formula": "C2H4O2" - }, - "segments": [ - "HCOO", - "CH3" - ] - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1/C2H6/c1-2/h1-2H3", - "formula": "C2H6" - }, - "segments": [ - "CH3", - "CH3" - ] - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1/C3H8/c1-3-2/h3H2,1-2H3", - "formula": "C3H8" - }, - "segments": [ - "CH3", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "106-97-8", - "name": "butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3", - "formula": "C5H12" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3", - "formula": "C6H14" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3", - "formula": "C7H16" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", - "formula": "C8H18" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3", - "formula": "C9H20" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3", - "formula": "C10H22" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "1120-21-4", - "name": "undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3", - "formula": "C11H24" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3", - "formula": "C12H26" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3", - "formula": "C13H28" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3", - "formula": "C14H30" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3", - "formula": "C15H32" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3", - "formula": "C16H34" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3", - "formula": "C17H36" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3", - "formula": "C18H38" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3", - "formula": "C19H40" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3", - "formula": "C20H42" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "75-28-5", - "name": "isobutane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1/C4H10/c1-4(2)3/h4H,1-3H3", - "formula": "C4H10" - }, - "segments": [ - ">CH", - "CH3", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 0, - 2 - ], - [ - 0, - 3 - ] - ] - }, - { - "identifier": { - "cas": "78-78-4", - "name": "isopentane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3", - "formula": "C5H12" - }, - "segments": [ - "CH3", - ">CH", - "CH2", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 1, - 4 - ] - ] - }, - { - "identifier": { - "cas": "463-82-1", - "name": "neopentane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1/C5H12/c1-5(2,3)4/h1-4H3", - "formula": "C5H12" - }, - "segments": [ - ">C<", - "CH3", - "CH3", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 0, - 2 - ], - [ - 0, - 3 - ], - [ - 0, - 4 - ] - ] - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "segments": [ - "CH3", - ">CH", - "CH2", - "CH2", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 1, - 5 - ] - ] - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1/C6H14/c1-5-6(2,3)4/h5H2,1-4H3", - "formula": "C6H14" - }, - "segments": [ - "CH3", - ">C<", - "CH2", - "CH3", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 1, - 4 - ], - [ - 1, - 5 - ] - ] - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3", - "formula": "C6H14" - }, - "segments": [ - "CH3", - ">CH", - ">CH", - "CH3", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 1, - 4 - ], - [ - 2, - 5 - ] - ] - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "segments": [ - "CH3", - "CH2", - ">CH", - "CH2", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 2, - 5 - ] - ] - }, - { - "identifier": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3", - "formula": "C7H16" - }, - "segments": [ - "CH3", - ">CH", - "CH2", - "CH2", - "CH2", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 1, - 6 - ] - ] - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1/C5H10/c1-2-4-5-3-1/h1-5H2", - "formula": "C5H10" - }, - "segments": [ - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH2_pent" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 0 - ] - ] - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2", - "formula": "C6H12" - }, - "segments": [ - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ] - ] - }, - { - "identifier": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3", - "formula": "C6H12" - }, - "segments": [ - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH_pent", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 0 - ], - [ - 4, - 5 - ] - ] - }, - { - "identifier": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3", - "formula": "C7H14" - }, - "segments": [ - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH_hex", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ] - ] - }, - { - "identifier": { - "cas": "1640-89-7", - "name": "ethylcyclopentane", - "iupac_name": "ethylcyclopentane", - "smiles": "CCC1CCCC1", - "inchi": "InChI=1/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3", - "formula": "C7H14" - }, - "segments": [ - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH_pent", - "CH2", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 0 - ], - [ - 4, - 5 - ], - [ - 5, - 6 - ] - ] - }, - { - "identifier": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3", - "formula": "C8H16" - }, - "segments": [ - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH_hex", - "CH2", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ] - ] - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1/C2H4/c1-2/h1-2H2", - "formula": "C2H4" - }, - "segments": [ - "=CH2", - "=CH2" - ] - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "CC=C", - "inchi": "InChI=1/C3H6/c1-3-2/h3H,1H2,2H3", - "formula": "C3H6" - }, - "segments": [ - "=CH2", - "=CH", - "CH3" - ] - }, - { - "identifier": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "CCC=C", - "inchi": "InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3", - "formula": "C4H8" - }, - "segments": [ - "=CH2", - "=CH", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "CCCC=C", - "inchi": "InChI=1/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3", - "formula": "C5H10" - }, - "segments": [ - "=CH2", - "=CH", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "CCCCC=C", - "inchi": "InChI=1/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3", - "formula": "C6H12" - }, - "segments": [ - "=CH2", - "=CH", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "CCCCCCC=C", - "inchi": "InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3", - "formula": "C8H16" - }, - "segments": [ - "=CH2", - "=CH", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1CC=CC1", - "inchi": "InChI=1/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2", - "formula": "C5H8" - }, - "segments": [ - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH_pent", - "CH_pent" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 0 - ] - ] - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ] - ] - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "methylbenzene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3", - "formula": "C7H8" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ] - ] - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", - "formula": "C8H10" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH2", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ] - ] - }, - { - "identifier": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "CC1=CC(=CC=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "segments": [ - "CH_arom", - "C_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 1, - 6 - ], - [ - 5, - 7 - ] - ] - }, - { - "identifier": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "CC1=CC=CC=C1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3", - "formula": "C8H10" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "C_arom", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 4, - 6 - ], - [ - 5, - 7 - ] - ] - }, - { - "identifier": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "CC1=CC=C(C=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "segments": [ - "C_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH_arom", - "CH_arom", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 0, - 6 - ], - [ - 3, - 7 - ] - ] - }, - { - "identifier": { - "cas": "103-65-1", - "name": "n-propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3", - "formula": "C9H12" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH2", - "CH2", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ], - [ - 7, - 8 - ] - ] - }, - { - "identifier": { - "cas": "119-64-2", - "name": "tetralin", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "C1CCc2ccccc2C1", - "inchi": "InChI=1/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2", - "formula": "C10H12" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "C_arom", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ], - [ - 7, - 8 - ], - [ - 8, - 9 - ], - [ - 9, - 4 - ] - ] - }, - { - "identifier": { - "cas": "104-51-8", - "name": "n-butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3", - "formula": "C10H14" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH2", - "CH2", - "CH2", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ], - [ - 7, - 8 - ], - [ - 8, - 9 - ] - ] - }, - { - "identifier": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "phenylbenzene", - "smiles": "c1ccc(cc1)c2ccccc2", - "inchi": "InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H", - "formula": "C12H10" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "C_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ], - [ - 7, - 8 - ], - [ - 8, - 9 - ], - [ - 9, - 10 - ], - [ - 10, - 11 - ], - [ - 11, - 6 - ] - ] - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1/C2H6O/c1-3-2/h1-2H3", - "formula": "C2H6O" - }, - "segments": [ - "CH3", - "OCH3" - ] - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "segments": [ - "CH3", - "OCH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "557-17-5", - "name": "methyl n-propyl ether", - "iupac_name": "1-methoxypropane", - "smiles": "CCCOC", - "inchi": "InChI=1/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "segments": [ - "OCH3", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl methanoate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1/C2H4O2/c1-4-2-3/h2H,1H3", - "formula": "C2H4O2" - }, - "segments": [ - "HCOO", - "CH3" - ] - }, - { - "identifier": { - "cas": "109-94-4", - "name": "ethyl methanoate", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3", - "formula": "C3H6O2" - }, - "segments": [ - "HCOO", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "110-74-7", - "name": "propyl methanoate", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O2" - }, - "segments": [ - "HCOO", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "141-78-6", - "name": "ethyl ethanoate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "segments": [ - "CH3", - "COO", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "109-60-4", - "name": "propyl ethanoate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "segments": [ - "CH3", - "COO", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "123-86-4", - "name": "n-butyl ethanoate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "segments": [ - "CH3", - "COO", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "108-21-4", - "name": "isopropyl ethanoate", - "iupac_name": "isopropyl acetate", - "smiles": "CC(C)OC(C)=O", - "inchi": "InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3", - "formula": "C5H10O2" - }, - "segments": [ - "CH3", - "CH2", - "COO", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 1, - 4 - ] - ] - }, - { - "identifier": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "segments": [ - "CH3", - "CH2", - "COO", - "CH3" - ] - }, - { - "identifier": { - "cas": "105-37-3", - "name": "ethyl propanoate", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "segments": [ - "CH3", - "CH2", - "COO", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "106-36-5", - "name": "propyl propanoate", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "segments": [ - "CH3", - "CH2", - "COO", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "COO", - "CH3" - ] - }, - { - "identifier": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1/C3H6O/c1-3(2)4/h1-2H3", - "formula": "C3H6O" - }, - "segments": [ - "CH3", - ">C=O", - "CH3" - ] - }, - { - "identifier": { - "cas": "78-93-3", - "name": "butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3", - "formula": "C4H8O" - }, - "segments": [ - "CH3", - ">C=O", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - ">C=O", - "CH3" - ] - }, - { - "identifier": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3", - "formula": "C5H10O" - }, - "segments": [ - "CH3", - "CH2", - ">C=O", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3", - "formula": "C3H6O" - }, - "segments": [ - "CH3", - "CH2", - "CH=O" - ] - }, - { - "identifier": { - "cas": "123-72-8", - "name": "butanal", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH=O" - ] - }, - { - "identifier": { - "cas": "540-67-0", - "name": "methyl ethyl ether", - "iupac_name": "methoxyethane", - "smiles": "CCOC", - "inchi": "InChI=1/C3H8O/c1-3-4-2/h3H2,1-2H3", - "formula": "C3H8O" - }, - "segments": [ - "CH3", - "CH2", - "OCH3" - ] - } -] diff --git a/parameters/pcsaft/gross2001.json b/parameters/pcsaft/gross2001.json deleted file mode 100644 index ba53e1d98..000000000 --- a/parameters/pcsaft/gross2001.json +++ /dev/null @@ -1,1094 +0,0 @@ -[ - { - "identifier": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1/CH4/h1H4", - "formula": "CH4" - }, - "molarweight": 16.043, - "m": 1.0, - "sigma": 3.7039, - "epsilon_k": 150.03 - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1/C2H6/c1-2/h1-2H3", - "formula": "C2H6" - }, - "molarweight": 30.07, - "m": 1.6069, - "sigma": 3.5206, - "epsilon_k": 191.42 - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1/C3H8/c1-3-2/h3H2,1-2H3", - "formula": "C3H8" - }, - "molarweight": 44.096, - "m": 2.002, - "sigma": 3.6184, - "epsilon_k": 208.11 - }, - { - "identifier": { - "cas": "106-97-8", - "name": "butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "molarweight": 58.123, - "m": 2.3316, - "sigma": 3.7086, - "epsilon_k": 222.88 - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3", - "formula": "C5H12" - }, - "molarweight": 72.146, - "m": 2.6896, - "sigma": 3.7729, - "epsilon_k": 231.2 - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "m": 3.0576, - "sigma": 3.7983, - "epsilon_k": 236.77 - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3", - "formula": "C7H16" - }, - "molarweight": 100.203, - "m": 3.4831, - "sigma": 3.8049, - "epsilon_k": 238.4 - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", - "formula": "C8H18" - }, - "molarweight": 114.231, - "m": 3.8176, - "sigma": 3.8373, - "epsilon_k": 242.78 - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3", - "formula": "C9H20" - }, - "molarweight": 128.25, - "m": 4.2079, - "sigma": 3.8448, - "epsilon_k": 244.51 - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3", - "formula": "C10H22" - }, - "molarweight": 142.285, - "m": 4.6627, - "sigma": 3.8384, - "epsilon_k": 243.87 - }, - { - "identifier": { - "cas": "1120-21-4", - "name": "undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3", - "formula": "C11H24" - }, - "molarweight": 156.312, - "m": 4.9082, - "sigma": 3.8893, - "epsilon_k": 248.82 - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3", - "formula": "C12H26" - }, - "molarweight": 170.338, - "m": 5.306, - "sigma": 3.8959, - "epsilon_k": 249.21 - }, - { - "identifier": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3", - "formula": "C13H28" - }, - "molarweight": 184.365, - "m": 5.6877, - "sigma": 3.9143, - "epsilon_k": 249.78 - }, - { - "identifier": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3", - "formula": "C14H30" - }, - "molarweight": 198.392, - "m": 5.9002, - "sigma": 3.9396, - "epsilon_k": 254.21 - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3", - "formula": "C15H32" - }, - "molarweight": 212.419, - "m": 6.2855, - "sigma": 3.9531, - "epsilon_k": 254.14 - }, - { - "identifier": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3", - "formula": "C16H34" - }, - "molarweight": 226.446, - "m": 6.6485, - "sigma": 3.9552, - "epsilon_k": 254.7 - }, - { - "identifier": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3", - "formula": "C17H36" - }, - "molarweight": 240.473, - "m": 6.9809, - "sigma": 3.9675, - "epsilon_k": 255.65 - }, - { - "identifier": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3", - "formula": "C18H38" - }, - "molarweight": 254.5, - "m": 7.3271, - "sigma": 3.9668, - "epsilon_k": 256.2 - }, - { - "identifier": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3", - "formula": "C19H40" - }, - "molarweight": 268.527, - "m": 7.7175, - "sigma": 3.9721, - "epsilon_k": 256.0 - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3", - "formula": "C20H42" - }, - "molarweight": 282.553, - "m": 7.9849, - "sigma": 3.9869, - "epsilon_k": 257.75 - }, - { - "identifier": { - "cas": "75-28-5", - "name": "isobutane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1/C4H10/c1-4(2)3/h4H,1-3H3", - "formula": "C4H10" - }, - "molarweight": 58.123, - "m": 2.2616, - "sigma": 3.7574, - "epsilon_k": 216.53 - }, - { - "identifier": { - "cas": "78-78-4", - "name": "isopentane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3", - "formula": "C5H12" - }, - "molarweight": 72.15, - "m": 2.562, - "sigma": 3.8296, - "epsilon_k": 230.75 - }, - { - "identifier": { - "cas": "463-82-1", - "name": "neopentane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1/C5H12/c1-5(2,3)4/h1-4H3", - "formula": "C5H12" - }, - "molarweight": 72.15, - "m": 2.3543, - "sigma": 3.955, - "epsilon_k": 225.69 - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "m": 2.9317, - "sigma": 3.8535, - "epsilon_k": 235.58 - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1/C6H14/c1-5-6(2,3)4/h5H2,1-4H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "m": 2.6008, - "sigma": 4.0042, - "epsilon_k": 243.51 - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "m": 2.6853, - "sigma": 3.9545, - "epsilon_k": 246.07 - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "m": 2.8852, - "sigma": 3.8605, - "epsilon_k": 240.48 - }, - { - "identifier": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3", - "formula": "C7H16" - }, - "molarweight": 100.204, - "m": 3.3478, - "sigma": 3.8612, - "epsilon_k": 237.42 - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1/C5H10/c1-2-4-5-3-1/h1-5H2", - "formula": "C5H10" - }, - "molarweight": 70.13, - "m": 2.3655, - "sigma": 3.7114, - "epsilon_k": 265.83 - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2", - "formula": "C6H12" - }, - "molarweight": 84.147, - "m": 2.5303, - "sigma": 3.8499, - "epsilon_k": 278.11 - }, - { - "identifier": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3", - "formula": "C6H12" - }, - "molarweight": 84.156, - "m": 2.613, - "sigma": 3.8253, - "epsilon_k": 265.12 - }, - { - "identifier": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3", - "formula": "C7H14" - }, - "molarweight": 98.182, - "m": 2.6637, - "sigma": 3.9993, - "epsilon_k": 282.33 - }, - { - "identifier": { - "cas": "1640-89-7", - "name": "ethylcyclopentane", - "iupac_name": "ethylcyclopentane", - "smiles": "CCC1CCCC1", - "inchi": "InChI=1/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3", - "formula": "C7H14" - }, - "molarweight": 98.182, - "m": 2.9062, - "sigma": 3.8873, - "epsilon_k": 270.5 - }, - { - "identifier": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3", - "formula": "C8H16" - }, - "molarweight": 112.215, - "m": 2.8256, - "sigma": 4.1039, - "epsilon_k": 294.04 - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1/C2H4/c1-2/h1-2H2", - "formula": "C2H4" - }, - "molarweight": 28.05, - "m": 1.593, - "sigma": 3.445, - "epsilon_k": 176.47 - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "CC=C", - "inchi": "InChI=1/C3H6/c1-3-2/h3H,1H2,2H3", - "formula": "C3H6" - }, - "molarweight": 42.081, - "m": 1.9597, - "sigma": 3.5356, - "epsilon_k": 207.19 - }, - { - "identifier": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "CCC=C", - "inchi": "InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3", - "formula": "C4H8" - }, - "molarweight": 56.107, - "m": 2.2864, - "sigma": 3.6431, - "epsilon_k": 222.0 - }, - { - "identifier": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "CCCC=C", - "inchi": "InChI=1/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3", - "formula": "C5H10" - }, - "molarweight": 70.134, - "m": 2.6006, - "sigma": 3.7399, - "epsilon_k": 231.99 - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "CCCCC=C", - "inchi": "InChI=1/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3", - "formula": "C6H12" - }, - "molarweight": 84.616, - "m": 2.9853, - "sigma": 3.7753, - "epsilon_k": 236.81 - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "CCCCCCC=C", - "inchi": "InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3", - "formula": "C8H16" - }, - "molarweight": 112.215, - "m": 3.7424, - "sigma": 3.8133, - "epsilon_k": 243.02 - }, - { - "identifier": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1CC=CC1", - "inchi": "InChI=1/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2", - "formula": "C5H8" - }, - "molarweight": 68.114, - "m": 2.2934, - "sigma": 3.6668, - "epsilon_k": 267.76 - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "molarweight": 78.114, - "m": 2.4653, - "sigma": 3.6478, - "epsilon_k": 287.35 - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "methylbenzene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3", - "formula": "C7H8" - }, - "molarweight": 92.141, - "m": 2.8149, - "sigma": 3.7169, - "epsilon_k": 285.69 - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", - "formula": "C8H10" - }, - "molarweight": 106.167, - "m": 3.0799, - "sigma": 3.7974, - "epsilon_k": 287.35 - }, - { - "identifier": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "CC1=CC(=CC=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "molarweight": 106.167, - "m": 3.1861, - "sigma": 3.7563, - "epsilon_k": 283.98 - }, - { - "identifier": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "CC1=CC=CC=C1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3", - "formula": "C8H10" - }, - "molarweight": 106.167, - "m": 3.1362, - "sigma": 3.76, - "epsilon_k": 291.05 - }, - { - "identifier": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "CC1=CC=C(C=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "molarweight": 106.167, - "m": 3.1723, - "sigma": 3.7781, - "epsilon_k": 283.77 - }, - { - "identifier": { - "cas": "103-65-1", - "name": "n-propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3", - "formula": "C9H12" - }, - "molarweight": 120.194, - "m": 3.3438, - "sigma": 3.8438, - "epsilon_k": 288.13 - }, - { - "identifier": { - "cas": "119-64-2", - "name": "tetralin", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "C1CCc2ccccc2C1", - "inchi": "InChI=1/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2", - "formula": "C10H12" - }, - "molarweight": 132.205, - "m": 3.3131, - "sigma": 3.875, - "epsilon_k": 325.07 - }, - { - "identifier": { - "cas": "104-51-8", - "name": "n-butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3", - "formula": "C10H14" - }, - "molarweight": 134.221, - "m": 3.7662, - "sigma": 3.8727, - "epsilon_k": 283.07 - }, - { - "identifier": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "phenylbenzene", - "smiles": "c1ccc(cc1)c2ccccc2", - "inchi": "InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H", - "formula": "C12H10" - }, - "molarweight": 154.211, - "m": 3.8877, - "sigma": 3.8151, - "epsilon_k": 327.42 - }, - { - "identifier": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1/CO/c1-2", - "formula": "CO" - }, - "molarweight": 28.01, - "m": 1.3097, - "sigma": 3.2507, - "epsilon_k": 92.15 - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "smiles": "N#N", - "inchi": "InChI=1/N2/c1-2", - "formula": "N2" - }, - "molarweight": 28.01, - "m": 1.2053, - "sigma": 3.313, - "epsilon_k": 90.96 - }, - { - "identifier": { - "cas": "7440-37-1", - "name": "argon", - "iupac_name": "argon", - "smiles": "[Ar]", - "inchi": "InChI=1/Ar", - "formula": "Ar" - }, - "molarweight": 39.948, - "m": 0.9285, - "sigma": 3.4784, - "epsilon_k": 122.23 - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1/CO2/c2-1-3", - "formula": "CO2" - }, - "molarweight": 44.01, - "m": 2.0729, - "sigma": 2.7852, - "epsilon_k": 169.21 - }, - { - "identifier": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=[S]=O", - "inchi": "InChI=1/O2S/c1-3-2", - "formula": "O2S" - }, - "molarweight": 64.065, - "m": 2.8611, - "sigma": 2.6826, - "epsilon_k": 205.35 - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine", - "iupac_name": "molecular chlorine", - "smiles": "ClCl", - "inchi": "InChI=1/Cl2/c1-2", - "formula": "Cl2" - }, - "molarweight": 70.905, - "m": 1.5514, - "sigma": 3.3672, - "epsilon_k": 265.67 - }, - { - "identifier": { - "cas": "75-15-0", - "name": "carbon disulfide", - "iupac_name": "methanedithione", - "smiles": "S=C=S", - "inchi": "InChI=1/CS2/c2-1-3", - "formula": "CS2" - }, - "molarweight": 76.143, - "m": 1.6919, - "sigma": 3.6172, - "epsilon_k": 334.82 - }, - { - "identifier": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "Ccl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3", - "formula": "CH3Cl" - }, - "molarweight": 50.488, - "m": 1.9297, - "sigma": 3.2293, - "epsilon_k": 240.56 - }, - { - "identifier": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1/C2H5Cl/c1-2-3/h2H2,1H3", - "formula": "C2H5Cl" - }, - "molarweight": 64.514, - "m": 2.2638, - "sigma": 3.416, - "epsilon_k": 245.43 - }, - { - "identifier": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1/C3H7Cl/c1-3(2)4/h3H,1-2H3", - "formula": "C3H7Cl" - }, - "molarweight": 78.541, - "m": 2.4151, - "sigma": 3.6184, - "epsilon_k": 251.47 - }, - { - "identifier": { - "cas": "109-69-3", - "name": "1-chlorobutane", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3", - "formula": "C4H9Cl" - }, - "molarweight": 92.568, - "m": 2.8585, - "sigma": 3.6424, - "epsilon_k": 258.66 - }, - { - "identifier": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H", - "formula": "C6H5Cl" - }, - "molarweight": 112.558, - "m": 2.6485, - "sigma": 3.7533, - "epsilon_k": 315.04 - }, - { - "identifier": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H", - "formula": "C6H5Br" - }, - "molarweight": 157.01, - "m": 2.6456, - "sigma": 3.836, - "epsilon_k": 334.37 - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1/C2H6O/c1-3-2/h1-2H3", - "formula": "C2H6O" - }, - "molarweight": 46.069, - "m": 2.3071, - "sigma": 3.2528, - "epsilon_k": 211.06 - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "m": 2.9686, - "sigma": 3.5147, - "epsilon_k": 220.09 - }, - { - "identifier": { - "cas": "557-17-5", - "name": "methyl n-propyl ether", - "iupac_name": "1-methoxypropane", - "smiles": "CCCOC", - "inchi": "InChI=1/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "m": 3.0087, - "sigma": 3.4569, - "epsilon_k": 222.73 - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl methanoate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1/C2H4O2/c1-4-2-3/h2H,1H3", - "formula": "C2H4O2" - }, - "molarweight": 60.053, - "m": 2.6784, - "sigma": 3.0875, - "epsilon_k": 242.63 - }, - { - "identifier": { - "cas": "109-94-4", - "name": "ethyl methanoate", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3", - "formula": "C3H6O2" - }, - "molarweight": 74.079, - "m": 2.8876, - "sigma": 3.3109, - "epsilon_k": 246.47 - }, - { - "identifier": { - "cas": "110-74-7", - "name": "propyl methanoate", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O2" - }, - "molarweight": 88.106, - "m": 3.2088, - "sigma": 3.4168, - "epsilon_k": 246.46 - }, - { - "identifier": { - "cas": "141-78-6", - "name": "ethyl ethanoate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "molarweight": 88.106, - "m": 3.5375, - "sigma": 3.3079, - "epsilon_k": 230.8 - }, - { - "identifier": { - "cas": "109-60-4", - "name": "propyl ethanoate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "molarweight": 102.133, - "m": 3.7861, - "sigma": 3.4227, - "epsilon_k": 235.76 - }, - { - "identifier": { - "cas": "123-86-4", - "name": "n-butyl ethanoate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "molarweight": 116.16, - "m": 3.9808, - "sigma": 3.5427, - "epsilon_k": 242.52 - }, - { - "identifier": { - "cas": "108-21-4", - "name": "isopropyl ethanoate", - "iupac_name": "isopropyl acetate", - "smiles": "CC(C)OC(C)=O", - "inchi": "InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3", - "formula": "C5H10O2" - }, - "molarweight": 102.133, - "m": 3.6084, - "sigma": 3.4818, - "epsilon_k": 231.91 - }, - { - "identifier": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "molarweight": 88.106, - "m": 3.4793, - "sigma": 3.3142, - "epsilon_k": 234.96 - }, - { - "identifier": { - "cas": "105-37-3", - "name": "ethyl propanoate", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "molarweight": 102.133, - "m": 3.8371, - "sigma": 3.4031, - "epsilon_k": 232.78 - }, - { - "identifier": { - "cas": "106-36-5", - "name": "propyl propanoate", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "molarweight": 116.16, - "m": 4.1155, - "sigma": 3.4875, - "epsilon_k": 235.6 - }, - { - "identifier": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "molarweight": 102.133, - "m": 3.6758, - "sigma": 3.4437, - "epsilon_k": 240.62 - } -] \ No newline at end of file diff --git a/parameters/pcsaft/gross2002.json b/parameters/pcsaft/gross2002.json deleted file mode 100644 index ec8bda8f2..000000000 --- a/parameters/pcsaft/gross2002.json +++ /dev/null @@ -1,398 +0,0 @@ -[ - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "molarweight": 32.042, - "m": 1.5255, - "sigma": 3.23, - "epsilon_k": 188.9, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.035176, - "epsilon_k_ab": 2899.5 - } - ] - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3", - "formula": "C2H6O" - }, - "molarweight": 46.069, - "m": 2.3827, - "sigma": 3.1771, - "epsilon_k": 198.24, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.032384, - "epsilon_k_ab": 2653.4 - } - ] - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "molarweight": 60.096, - "m": 2.9997, - "sigma": 3.2522, - "epsilon_k": 233.4, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.015268, - "epsilon_k_ab": 2276.8 - } - ] - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "m": 2.7515, - "sigma": 3.6139, - "epsilon_k": 259.59, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.006692, - "epsilon_k_ab": 2544.6 - } - ] - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "m": 3.626, - "sigma": 3.4508, - "epsilon_k": 247.28, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.010319, - "epsilon_k_ab": 2252.1 - } - ] - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", - "formula": "C6H14O" - }, - "molarweight": 102.177, - "m": 3.5146, - "sigma": 3.6735, - "epsilon_k": 262.32, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.005747, - "epsilon_k_ab": 2538.9 - } - ] - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3", - "formula": "C7H16O" - }, - "molarweight": 116.203, - "m": 4.3985, - "sigma": 3.545, - "epsilon_k": 253.46, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.001155, - "epsilon_k_ab": 2878.5 - } - ] - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", - "formula": "C8H18O" - }, - "molarweight": 130.23, - "m": 4.3555, - "sigma": 3.7145, - "epsilon_k": 262.74, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.002197, - "epsilon_k_ab": 2754.8 - } - ] - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", - "formula": "C9H20O" - }, - "molarweight": 144.257, - "m": 4.6839, - "sigma": 3.7292, - "epsilon_k": 263.64, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.001427, - "epsilon_k_ab": 2941.9 - } - ] - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3", - "formula": "C3H8O" - }, - "molarweight": 60.096, - "m": 3.0929, - "sigma": 3.2085, - "epsilon_k": 208.42, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.024675, - "epsilon_k_ab": 2253.9 - } - ] - }, - { - "identifier": { - "cas": "75-85-4", - "name": "2-methyl-2-butanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "m": 2.5487, - "sigma": 3.9053, - "epsilon_k": 266.01, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.001863, - "epsilon_k_ab": 2618.8 - } - ] - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.015, - "m": 1.0656, - "sigma": 3.0007, - "epsilon_k": 366.51, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.034868, - "epsilon_k_ab": 2500.7 - } - ] - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1/CH5N/c1-2/h2H2,1H3", - "formula": "CH5N" - }, - "molarweight": 31.06, - "m": 2.3967, - "sigma": 2.8906, - "epsilon_k": 214.94, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.095103, - "epsilon_k_ab": 684.3 - } - ] - }, - { - "identifier": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1/C2H7N/c1-2-3/h2-3H2,1H3", - "formula": "C2H7N" - }, - "molarweight": 45.09, - "m": 2.7046, - "sigma": 3.1343, - "epsilon_k": 221.53, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.017275, - "epsilon_k_ab": 854.7 - } - ] - }, - { - "identifier": { - "cas": "107-10-8", - "name": "1-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1/C3H9N/c1-2-3-4/h2-4H2,1H3", - "formula": "C3H9N" - }, - "molarweight": 59.11, - "m": 2.4539, - "sigma": 3.5347, - "epsilon_k": 250.52, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.022674, - "epsilon_k_ab": 1028.1 - } - ] - }, - { - "identifier": { - "cas": "75-31-0", - "name": "2-propylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1/C3H9N/c1-3(2)4/h3H,4H2,1-2H3", - "formula": "C3H9N" - }, - "molarweight": 59.11, - "m": 2.5908, - "sigma": 3.4777, - "epsilon_k": 231.8, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.02134, - "epsilon_k_ab": 932.2 - } - ] - }, - { - "identifier": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2", - "formula": "C6H7N" - }, - "molarweight": 93.13, - "m": 2.6607, - "sigma": 3.7021, - "epsilon_k": 335.47, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.074883, - "epsilon_k_ab": 1351.6 - } - ] - }, - { - "identifier": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(O)=O", - "inchi": "InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/f/h3H", - "formula": "C2H4O2" - }, - "molarweight": 60.053, - "m": 1.3403, - "sigma": 3.8582, - "epsilon_k": 211.59, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.07555, - "epsilon_k_ab": 3044.4 - } - ] - } -] \ No newline at end of file diff --git a/parameters/pcsaft/gross2002_binary.json b/parameters/pcsaft/gross2002_binary.json deleted file mode 100644 index 7821539be..000000000 --- a/parameters/pcsaft/gross2002_binary.json +++ /dev/null @@ -1,173 +0,0 @@ -[ - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2", - "formula": "C6H12" - }, - "k_ij": 0.051 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", - "formula": "C8H18O" - }, - "k_ij": 0.02 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3", - "formula": "C2H6O" - }, - "id2": { - "cas": "106-97-8", - "name": "butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "k_ij": 0.028 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "k_ij": 0.02 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", - "formula": "C8H10" - }, - "k_ij": 0.023 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3", - "formula": "C3H8O" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "k_ij": 0.021 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", - "formula": "C4H10O" - }, - "id2": { - "cas": "106-97-8", - "name": "butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "k_ij": 0.015 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "k_ij": 0.0135 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "k_ij": 0.016 - } -] \ No newline at end of file diff --git a/parameters/pcsaft/gross2005_fit.json b/parameters/pcsaft/gross2005_fit.json deleted file mode 100644 index 5cdfed36f..000000000 --- a/parameters/pcsaft/gross2005_fit.json +++ /dev/null @@ -1,107 +0,0 @@ -[ - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1/CO2/c2-1-3", - "formula": "CO2" - }, - "molarweight": 44.01, - "m": 1.6298, - "sigma": 3.0867, - "epsilon_k": 163.34, - "q": 3.9546 - }, - { - "identifier": { - "cas": "75-15-0", - "name": "carbon disulfide", - "iupac_name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1/CS2/c2-1-3", - "formula": "CS2" - }, - "molarweight": 76.143, - "m": 1.3906, - "sigma": 3.9453, - "epsilon_k": 344.25, - "q": 7.3662 - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1/C2H4/c1-2/h1-2H2", - "formula": "C2H4" - }, - "molarweight": 28.05, - "m": 1.5477, - "sigma": 3.4475, - "epsilon_k": 179.19, - "q": 1.9155 - }, - { - "identifier": { - "cas": "74-86-2", - "name": "acetylene", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1/C2H2/c1-2/h1-2H", - "formula": "C2H2" - }, - "molarweight": 26.04, - "m": 1.5587, - "sigma": 3.3325, - "epsilon_k": 174.68, - "q": 4.5415 - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "smiles": "N#N", - "inchi": "InChI=1/N2/c1-2", - "formula": "N2" - }, - "molarweight": 28.01, - "m": 1.1879, - "sigma": 3.3353, - "epsilon_k": 90.99, - "q": 1.1151 - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine", - "iupac_name": "molecular chlorine", - "smiles": "ClCl", - "inchi": "InChI=1/Cl2/c1-2", - "formula": "Cl2" - }, - "molarweight": 70.905, - "m": 1.4682, - "sigma": 3.448, - "epsilon_k": 269.67, - "q": 3.0724 - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "molarweight": 78.114, - "m": 2.2463, - "sigma": 3.7852, - "epsilon_k": 296.24, - "q": 5.5907 - } -] \ No newline at end of file diff --git a/parameters/pcsaft/gross2005_literature.json b/parameters/pcsaft/gross2005_literature.json deleted file mode 100644 index 5028cbdc2..000000000 --- a/parameters/pcsaft/gross2005_literature.json +++ /dev/null @@ -1,92 +0,0 @@ -[ - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1/CO2/c2-1-3", - "formula": "CO2" - }, - "molarweight": 44.01, - "m": 1.5131, - "sigma": 3.1869, - "epsilon_k": 163.33, - "q": 4.4 - }, - { - "identifier": { - "cas": "75-15-0", - "name": "carbon disulfide", - "iupac_name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1/CS2/c2-1-3", - "formula": "CS2" - }, - "molarweight": 76.143, - "m": 1.5876, - "sigma": 3.7106, - "epsilon_k": 342.08, - "q": 4.26 - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1/C2H4/c1-2/h1-2H2", - "formula": "C2H4" - }, - "molarweight": 28.05, - "m": 1.5425, - "sigma": 3.4523, - "epsilon_k": 179.37, - "q": 2.0 - }, - { - "identifier": { - "cas": "74-86-2", - "name": "acetylene", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1/C2H2/c1-2/h1-2H", - "formula": "C2H2" - }, - "molarweight": 26.04, - "m": 1.5477, - "sigma": 3.3428, - "epsilon_k": 174.48, - "q": 4.6 - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "smiles": "N#N", - "inchi": "InChI=1/N2/c1-2", - "formula": "N2" - }, - "molarweight": 28.01, - "m": 1.1504, - "sigma": 3.3848, - "epsilon_k": 91.4, - "q": 1.43 - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine", - "iupac_name": "molecular chlorine", - "smiles": "ClCl", - "inchi": "InChI=1/Cl2/c1-2", - "formula": "Cl2" - }, - "molarweight": 70.905, - "m": 1.3934, - "sigma": 3.5339, - "epsilon_k": 270.49, - "q": 4.1 - } -] \ No newline at end of file diff --git a/parameters/pcsaft/gross2006.json b/parameters/pcsaft/gross2006.json deleted file mode 100644 index 0b93efdc0..000000000 --- a/parameters/pcsaft/gross2006.json +++ /dev/null @@ -1,362 +0,0 @@ -[ - { - "identifier": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1/C3H6O/c1-3(2)4/h1-2H3", - "formula": "C3H6O" - }, - "molarweight": 58.08, - "m": 2.7447, - "sigma": 3.2742, - "epsilon_k": 232.99, - "mu": 2.88 - }, - { - "identifier": { - "cas": "78-93-3", - "name": "butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3", - "formula": "C4H8O" - }, - "molarweight": 72.107, - "m": 2.9835, - "sigma": 3.4239, - "epsilon_k": 244.99, - "mu": 2.78 - }, - { - "identifier": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O" - }, - "molarweight": 86.134, - "m": 3.3537, - "sigma": 3.4942, - "epsilon_k": 246.66, - "mu": 2.7 - }, - { - "identifier": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3", - "formula": "C5H10O" - }, - "molarweight": 86.134, - "m": 3.2786, - "sigma": 3.5159, - "epsilon_k": 248.69, - "mu": 2.82 - }, - { - "identifier": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3", - "formula": "C3H6O" - }, - "molarweight": 58.08, - "m": 2.6001, - "sigma": 3.2872, - "epsilon_k": 235.21, - "mu": 2.72 - }, - { - "identifier": { - "cas": "123-72-8", - "name": "butanal", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O" - }, - "molarweight": 72.107, - "m": 2.8825, - "sigma": 3.4698, - "epsilon_k": 247.09, - "mu": 2.72 - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl methanoate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1/C2H4O2/c1-4-2-3/h2H,1H3", - "formula": "C2H4O2" - }, - "molarweight": 60.053, - "m": 2.6225, - "sigma": 3.1095, - "epsilon_k": 239.05, - "mu": 1.77 - }, - { - "identifier": { - "cas": "109-94-4", - "name": "ethyl methanoate", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3", - "formula": "C3H6O2" - }, - "molarweight": 74.079, - "m": 2.8338, - "sigma": 3.3316, - "epsilon_k": 244.5, - "mu": 1.93 - }, - { - "identifier": { - "cas": "110-74-7", - "name": "propyl methanoate", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O2" - }, - "molarweight": 88.106, - "m": 3.1723, - "sigma": 3.4296, - "epsilon_k": 245.64, - "mu": 1.89 - }, - { - "identifier": { - "cas": "141-78-6", - "name": "ethyl ethanoate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "molarweight": 88.106, - "m": 3.506, - "sigma": 3.3177, - "epsilon_k": 230.24, - "mu": 1.78 - }, - { - "identifier": { - "cas": "109-60-4", - "name": "propyl ethanoate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "molarweight": 102.13, - "m": 3.7658, - "sigma": 3.4289, - "epsilon_k": 235.42, - "mu": 1.78 - }, - { - "identifier": { - "cas": "123-86-4", - "name": "n-butyl ethanoate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "molarweight": 116.16, - "m": 3.9629, - "sigma": 3.5482, - "epsilon_k": 242.27, - "mu": 1.87 - }, - { - "identifier": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "molarweight": 88.106, - "m": 3.4442, - "sigma": 3.3255, - "epsilon_k": 234.26, - "mu": 1.85 - }, - { - "identifier": { - "cas": "105-37-3", - "name": "ethyl propanoate", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "molarweight": 102.133, - "m": 3.7954, - "sigma": 3.4169, - "epsilon_k": 233.09, - "mu": 1.74 - }, - { - "identifier": { - "cas": "106-36-5", - "name": "propyl propanoate", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "molarweight": 116.16, - "m": 4.0993, - "sigma": 3.4921, - "epsilon_k": 235.38, - "mu": 1.8 - }, - { - "identifier": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "molarweight": 102.133, - "m": 3.642, - "sigma": 3.4535, - "epsilon_k": 240.02, - "mu": 2.03 - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1/C2H6O/c1-3-2/h1-2H3", - "formula": "C2H6O" - }, - "molarweight": 46.069, - "m": 2.2634, - "sigma": 3.2723, - "epsilon_k": 210.29, - "mu": 1.3 - }, - { - "identifier": { - "cas": "540-67-0", - "name": "methyl ethyl ether", - "iupac_name": "methoxyethane", - "smiles": "CCOC", - "inchi": "InChI=1/C3H8O/c1-3-4-2/h3H2,1-2H3", - "formula": "C3H8O" - }, - "molarweight": 60.096, - "m": 2.6425, - "sigma": 3.3794, - "epsilon_k": 215.79, - "mu": 1.17 - }, - { - "identifier": { - "cas": "557-17-5", - "name": "methyl n-propyl ether", - "iupac_name": "1-methoxypropane", - "smiles": "CCCOC", - "inchi": "InChI=1/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "m": 3.0004, - "sigma": 3.4602, - "epsilon_k": 222.67, - "mu": 1.107 - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "m": 2.9726, - "sigma": 3.5127, - "epsilon_k": 219.53, - "mu": 1.15 - }, - { - "identifier": { - "cas": "67-68-5", - "name": "dmso", - "iupac_name": "methylsulfinylmethane", - "smiles": "C[S](C)=O", - "inchi": "InChI=1/C2H6OS/c1-4(2)3/h1-2H3", - "formula": "C2H6OS" - }, - "molarweight": 78.13, - "m": 3.0243, - "sigma": 3.2427, - "epsilon_k": 309.36, - "mu": 3.96 - }, - { - "identifier": { - "cas": "7647-01-0", - "name": "hcl", - "iupac_name": "hydrogen chloride", - "smiles": "[H+].[Cl-]", - "inchi": "", - "formula": "ClH" - }, - "molarweight": 36.461, - "m": 1.5194, - "sigma": 2.9794, - "epsilon_k": 203.32, - "mu": 1.109 - }, - { - "identifier": { - "cas": "74-87-3", - "name": "chloro methane", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1/CH3Cl/c1-2/h1H3", - "formula": "CH3Cl" - }, - "molarweight": 50.488, - "m": 1.807, - "sigma": 3.3034, - "epsilon_k": 229.97, - "mu": 1.896 - }, - { - "identifier": { - "cas": "75-00-3", - "name": "chloro ethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1/C2H5Cl/c1-2-3/h2H2,1H3", - "formula": "C2H5Cl" - }, - "molarweight": 64.514, - "m": 2.2207, - "sigma": 3.4335, - "epsilon_k": 237.03, - "mu": 2.05 - } -] \ No newline at end of file diff --git a/parameters/pcsaft/literature.bib b/parameters/pcsaft/literature.bib deleted file mode 100644 index b63abde89..000000000 --- a/parameters/pcsaft/literature.bib +++ /dev/null @@ -1,146 +0,0 @@ -@article{gross2001, - author = {Gross, Joachim and Sadowski, Gabriele}, - title = {Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {40}, - number = {4}, - pages = {1244-1260}, - year = {2001}, - doi = {10.1021/ie0003887}, - url = {https://doi.org/10.1021/ie0003887}, - eprint = {https://doi.org/10.1021/ie0003887} -} - -@article{gross2002, - author = {Gross, Joachim and Sadowski, Gabriele}, - title = {Application of the Perturbed-Chain SAFT Equation of State to Associating Systems}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {41}, - number = {22}, - pages = {5510-5515}, - year = {2002}, - doi = {10.1021/ie010954d}, - url = {https://doi.org/10.1021/ie010954d}, - eprint = {https://doi.org/10.1021/ie010954d} -} - -@article{gross2005, - author = {Gross, Joachim}, - title = {An equation-of-state contribution for polar components: Quadrupolar molecules}, - journal = {AIChE Journal}, - volume = {51}, - number = {9}, - pages = {2556-2568}, - keywords = {equation of state, polar, perturbation theory, mixtures, nonspherical molecules, SAFT}, - doi = {10.1002/aic.10502}, - url = {https://aiche.onlinelibrary.wiley.com/doi/abs/10.1002/aic.10502}, - eprint = {https://aiche.onlinelibrary.wiley.com/doi/pdf/10.1002/aic.10502}, - year = {2005} -} - -@article{gross2006, - author = {Gross, Joachim and Vrabec, Jadran}, - title = {An equation-of-state contribution for polar components: Dipolar molecules}, - journal = {AIChE Journal}, - volume = {52}, - number = {3}, - pages = {1194-1204}, - doi = {10.1002/aic.10683}, - url = {https://aiche.onlinelibrary.wiley.com/doi/abs/10.1002/aic.10683}, - eprint = {https://aiche.onlinelibrary.wiley.com/doi/pdf/10.1002/aic.10683}, - year = {2006} -} - -@article{sauer2014, - author = {Sauer, Elmar and Stavrou, Marina and Gross, Joachim}, - title = {Comparison between a Homo- and a Heterosegmented Group Contribution Approach Based on the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {53}, - number = {38}, - pages = {14854-14864}, - year = {2014}, - doi = {10.1021/ie502203w}, - url = {https://doi.org/10.1021/ie502203w}, - eprint = {https://doi.org/10.1021/ie502203w} -} - -@article{loetgeringlin2015, - author = {Lötgering-Lin, Oliver and Gross, Joachim}, - title = {Group Contribution Method for Viscosities Based on Entropy Scaling Using the Perturbed-Chain Polar Statistical Associating Fluid Theory}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {54}, - number = {32}, - pages = {7942-7952}, - year = {2015}, - doi = {10.1021/acs.iecr.5b01698}, - url = {https://doi.org/10.1021/acs.iecr.5b01698}, - eprint = {https://doi.org/10.1021/acs.iecr.5b01698} -} - -@article{loetgeringlin2018, - author = {Lötgering-Lin, Oliver and Fischer, Matthias and Hopp, Madlen and Gross, Joachim}, - title = {Pure Substance and Mixture Viscosities Based on Entropy Scaling and an Analytic Equation of State}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {57}, - number = {11}, - pages = {4095-4114}, - year = {2018}, - doi = {10.1021/acs.iecr.7b04871}, - url = {https://doi.org/10.1021/acs.iecr.7b04871}, - eprint = {https://doi.org/10.1021/acs.iecr.7b04871} -} - -@article{rehner2020, - author = {Rehner, Philipp and Gross, Joachim}, - title = {Multiobjective Optimization of PCP-SAFT Parameters for Water and Alcohols Using Surface Tension Data}, - journal = {Journal of Chemical \& Engineering Data}, - volume = {65}, - number = {12}, - pages = {5698-5707}, - year = {2020}, - doi = {10.1021/acs.jced.0c00684}, - url = {https://doi.org/10.1021/acs.jced.0c00684}, - eprint = {https://doi.org/10.1021/acs.jced.0c00684} -} - -@article{eller2022, - author = {Eller, Johannes and Sauerborn, Tim and Becker, Beatrix and Buntic, Ivan and Gross, Joachim and Helmig, Rainer}, - title = {Modeling Subsurface Hydrogen Storage With Transport Properties From Entropy Scaling Using the PC-SAFT Equation of State}, - journal = {Water Resources Research}, - volume = {58}, - number = {4}, - pages = {e2021WR030885}, - year = {2022}, - doi = {10.1029/2021WR030885}, - url = {https://agupubs.onlinelibrary.wiley.com/doi/abs/10.1029/2021WR030885}, - eprint = {https://agupubs.onlinelibrary.wiley.com/doi/pdf/10.1029/2021WR030885} -} - -@article{esper2023, - author = {Esper, Timm and Bauer, Gernot and Rehner, Philipp and Gross, Joachim}, - title = {PCP-SAFT Parameters of Pure Substances Using Large Experimental Databases}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {62}, - number = {37}, - pages = {15300-15310}, - year = {2023}, - doi = {10.1021/acs.iecr.3c02255}, - url = {https://doi.org/10.1021/acs.iecr.3c02255}, - eprint = {https://doi.org/10.1021/acs.iecr.3c02255} -} - -@article{Rehner2023, - author = {Rehner, Philipp and Bardow, Andr{\ifmmode\acute{e}\else\'{e}\fi} and Gross, Joachim}, - title = {{Modeling Mixtures with PCP-SAFT: Insights from Large-Scale Parametrization and Group-Contribution Method for Binary Interaction Parameters}}, - journal = {International Journal of Thermophysics}, - volume = {44}, - number = {12}, - pages = {1--28}, - year = {2023}, - month = dec, - issn = {1572-9567}, - publisher = {Springer US}, - doi = {10.1007/s10765-023-03290-3}, - url = {https://doi.org/10.1007/s10765-023-03290-3}, - eprint = {https://doi.org/10.1007/s10765-023-03290-3} -} \ No newline at end of file diff --git a/parameters/pcsaft/loetgeringlin2015_homo.json b/parameters/pcsaft/loetgeringlin2015_homo.json deleted file mode 100644 index 67cd68016..000000000 --- a/parameters/pcsaft/loetgeringlin2015_homo.json +++ /dev/null @@ -1,274 +0,0 @@ -[ - { - "identifier": "CH3", - "molarweight": 15.0345, - "m": 0.61198, - "sigma": 3.7202, - "epsilon_k": 229.9, - "viscosity": [ - -0.0086878, - -0.17951, - -0.122359, - -0.01245 - ] - }, - { - "identifier": "CH2", - "molarweight": 14.02658, - "m": 0.45606, - "sigma": 3.89, - "epsilon_k": 239.01, - "viscosity": [ - -0.0009194, - -0.13316, - -0.042657, - -0.01245 - ] - }, - { - "identifier": ">CH", - "molarweight": 13.01854, - "m": 0.14304, - "sigma": 4.8597, - "epsilon_k": 347.64, - "viscosity": [ - 0.0128159, - -0.03416, - 0.055752, - -0.01245 - ] - }, - { - "identifier": ">C<", - "molarweight": 12.0107, - "m": -0.66997, - "sigma": -1.7878, - "epsilon_k": 107.68, - "viscosity": [ - 0.1525629, - 1.23998, - 0.138406, - -0.01245 - ] - }, - { - "identifier": "=CH2", - "molarweight": 14.02658, - "m": 0.36939, - "sigma": 4.0264, - "epsilon_k": 289.49, - "viscosity": [ - -0.0063736, - 4.24367, - -0.108726, - -0.01245 - ] - }, - { - "identifier": "=CH", - "molarweight": 13.01854, - "m": 0.56361, - "sigma": 3.5519, - "epsilon_k": 216.69, - "viscosity": [ - -0.0050637, - -4.35678, - -0.054247, - -0.01245 - ] - }, - { - "identifier": "=C<", - "molarweight": 12.0107, - "m": 0.86367, - "sigma": 3.1815, - "epsilon_k": 156.31 - }, - { - "identifier": "C≡CH", - "molarweight": 25.02924, - "m": 1.3279, - "sigma": 2.9421, - "epsilon_k": 223.05 - }, - { - "identifier": "CH2_hex", - "molarweight": 14.02658, - "m": 0.39496, - "sigma": 3.9126, - "epsilon_k": 289.03, - "viscosity": [ - -0.0037896, - -0.14796, - -0.045017, - -0.01245 - ] - }, - { - "identifier": "CH_hex", - "molarweight": 13.01854, - "m": 0.0288, - "sigma": 8.9779, - "epsilon_k": 1306.7 - }, - { - "identifier": "CH2_pent", - "molarweight": 14.02658, - "m": 0.46742, - "sigma": 3.7272, - "epsilon_k": 267.16, - "viscosity": [ - -0.0038105, - -0.1628, - -0.067905, - -0.01245 - ] - }, - { - "identifier": "CH_pent", - "molarweight": 13.01854, - "m": 0.03314, - "sigma": 7.719, - "epsilon_k": 1297.7 - }, - { - "identifier": "CH_arom", - "molarweight": 13.01854, - "m": 0.42335, - "sigma": 3.727, - "epsilon_k": 274.41, - "viscosity": [ - -0.0047664, - -0.16842, - -0.065606, - -0.01245 - ] - }, - { - "identifier": "C_arom", - "molarweight": 12.0107, - "m": 0.15371, - "sigma": 3.9622, - "epsilon_k": 527.2, - "viscosity": [ - 0.014428, - 0.01104, - -0.000699, - -0.01245 - ] - }, - { - "identifier": "CH=O", - "molarweight": 29.01754, - "m": 1.5774, - "sigma": 2.8035, - "epsilon_k": 242.99, - "mu": 2.4556, - "viscosity": [ - 0.0088675, - -0.1482, - -0.091325, - -0.01245 - ] - }, - { - "identifier": ">C=O", - "molarweight": 28.0097, - "m": 1.223, - "sigma": 2.8124, - "epsilon_k": 249.04, - "mu": 3.2432 - }, - { - "identifier": "OCH3", - "molarweight": 31.03322, - "m": 1.6539, - "sigma": 3.0697, - "epsilon_k": 196.05, - "mu": 1.3866, - "viscosity": [ - -0.0046001, - -0.16433, - -0.053118, - -0.01245 - ] - }, - { - "identifier": "OCH2", - "molarweight": 30.02538, - "m": 1.1349, - "sigma": 3.2037, - "epsilon_k": 187.13, - "mu": 2.744, - "viscosity": [ - -0.0055435, - -0.22345, - -0.099967, - -0.01245 - ] - }, - { - "identifier": "HCOO", - "molarweight": 45.01654, - "m": 1.7525, - "sigma": 2.9043, - "epsilon_k": 229.63, - "mu": 2.7916 - }, - { - "identifier": "COO", - "molarweight": 44.0087, - "m": 1.5063, - "sigma": 2.8166, - "epsilon_k": 222.52, - "mu": 3.1652, - "viscosity": [ - -0.0003295, - -0.11893, - 0.069576, - -0.01245 - ] - }, - { - "identifier": "OH", - "molarweight": 17.00734, - "m": 0.402, - "sigma": 3.2859, - "epsilon_k": 488.66, - "viscosity": [ - -0.0157583, - -0.25654, - -0.231537, - -0.01245 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.006825, - "epsilon_k_ab": 2517.0 - } - ] - }, - { - "identifier": "NH2", - "molarweight": 16.02238, - "m": 0.40558, - "sigma": 3.6456, - "epsilon_k": 467.59, - "viscosity": [ - -0.0044048, - -0.06089, - -0.089017, - -0.01245 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.026662, - "epsilon_k_ab": 1064.6 - } - ] - } -] \ No newline at end of file diff --git a/parameters/pcsaft/loetgeringlin2018.json b/parameters/pcsaft/loetgeringlin2018.json deleted file mode 100644 index bef5994ac..000000000 --- a/parameters/pcsaft/loetgeringlin2018.json +++ /dev/null @@ -1,3298 +0,0 @@ -[ - { - "identifier": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "C(C(F)(F)F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H", - "formula": "C2HF5" - }, - "molarweight": 120.022, - "m": 3.0838, - "sigma": 3.1297, - "epsilon_k": 154.4771, - "mu": 1.5409, - "viscosity": [ - -1.3005, - -2.8541, - -0.5396, - -0.1155 - ] - }, - { - "identifier": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "C(C(F)(F)F)(C(F)(F)F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H", - "formula": "C3HF7" - }, - "molarweight": 170.03, - "m": 3.5407, - "sigma": 3.301, - "epsilon_k": 160.9843, - "mu": 1.9396, - "viscosity": [ - -1.3718, - -3.0118, - -0.554, - -0.1543 - ] - }, - { - "identifier": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "C(C(F)F)(C(F)(F)F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H", - "formula": "C3H2F6" - }, - "molarweight": 152.039, - "m": 3.681, - "sigma": 3.1918, - "epsilon_k": 177.2769, - "mu": 0.2009, - "viscosity": [ - -0.977, - -2.4251, - -0.2831, - -0.1409 - ] - }, - { - "identifier": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "C(C(F)(F)F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2", - "formula": "C2H2F4" - }, - "molarweight": 102.031, - "m": 3.1242, - "sigma": 3.0549, - "epsilon_k": 165.8855, - "mu": 2.0581, - "viscosity": [ - -1.2914, - -2.6782, - -0.4505, - -0.1004 - ] - }, - { - "identifier": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "C(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2", - "formula": "C3H2F6" - }, - "molarweight": 152.039, - "m": 3.6025, - "sigma": 3.2428, - "epsilon_k": 170.2242, - "mu": 1.9816, - "viscosity": [ - -1.168, - -2.6971, - -0.4772, - -0.1409 - ] - }, - { - "identifier": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "C(C(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2", - "formula": "C3H3F5" - }, - "molarweight": 134.049, - "m": 3.5888, - "sigma": 3.1797, - "epsilon_k": 184.7, - "mu": 1.5559, - "viscosity": [ - -1.4285, - -2.9879, - -0.4947, - -0.1269 - ] - }, - { - "identifier": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3", - "formula": "C2H3Cl3" - }, - "molarweight": 133.404, - "m": 2.4793, - "sigma": 3.7527, - "epsilon_k": 275.4749, - "mu": 1.7808, - "viscosity": [ - -1.0325, - -2.347, - -0.4703, - -0.1264 - ] - }, - { - "identifier": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3", - "formula": "C2H3F3" - }, - "molarweight": 84.041, - "m": 2.4877, - "sigma": 3.2839, - "epsilon_k": 161.4797, - "mu": 2.3204, - "viscosity": [ - -1.1297, - -2.2024, - -0.3203, - -0.0846 - ] - }, - { - "identifier": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3", - "formula": "C2H4F2" - }, - "molarweight": 66.051, - "m": 2.5999, - "sigma": 3.1426, - "epsilon_k": 179.9699, - "mu": 2.2619, - "viscosity": [ - -1.1237, - -2.1489, - -0.2769, - -0.068 - ] - }, - { - "identifier": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "C(C(F)(F)Cl)(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8", - "formula": "C2Cl2F4" - }, - "molarweight": 170.921, - "m": 2.7766, - "sigma": 3.6468, - "epsilon_k": 202.3572, - "mu": 0.6685, - "viscosity": [ - -1.1623, - -2.9065, - -0.6941, - -0.155 - ] - }, - { - "identifier": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "CC1=CC(=CC(=C1)C)C", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3", - "formula": "C9H12" - }, - "molarweight": 120.194, - "m": 3.671, - "sigma": 3.7284, - "epsilon_k": 277.6576, - "viscosity": [ - -1.3566, - -2.6547, - -0.5489, - -0.1157 - ] - }, - { - "identifier": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "CC1=CC(=CC=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "molarweight": 106.167, - "m": 3.1861, - "sigma": 3.7563, - "epsilon_k": 283.98, - "viscosity": [ - -1.2749, - -2.5804, - -0.5289, - -0.1039 - ] - }, - { - "identifier": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "CC1=CC=C(C=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "molarweight": 106.167, - "m": 3.1723, - "sigma": 3.7781, - "epsilon_k": 283.77, - "viscosity": [ - -1.2749, - -2.6129, - -0.5418, - -0.1039 - ] - }, - { - "identifier": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3", - "formula": "C8H18O" - }, - "molarweight": 130.23, - "m": 4.4126, - "sigma": 3.6997, - "epsilon_k": 233.9837, - "mu": 1.1692, - "viscosity": [ - -1.3556, - -2.811, - -0.4985, - -0.1238 - ] - }, - { - "identifier": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "C(C(F)(F)Cl)(F)(F)F", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8", - "formula": "C2ClF5" - }, - "molarweight": 154.467, - "m": 2.7628, - "sigma": 3.5063, - "epsilon_k": 170.7613, - "mu": 0.5186, - "viscosity": [ - -1.1464, - -2.7197, - -0.5569, - -0.1427 - ] - }, - { - "identifier": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3", - "formula": "C6H14O3" - }, - "molarweight": 134.175, - "m": 4.2282, - "sigma": 3.5722, - "epsilon_k": 258.4078, - "mu": 1.97, - "viscosity": [ - -1.2095, - -2.6243, - -0.4929, - -0.127 - ] - }, - { - "identifier": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "CC1=CC=C(C=C1)C(C)C", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3", - "formula": "C10H14" - }, - "molarweight": 134.221, - "m": 3.6373, - "sigma": 3.907, - "epsilon_k": 284.1096, - "viscosity": [ - -1.4434, - -2.8975, - -0.641, - -0.127 - ] - }, - { - "identifier": { - "cas": "693-65-2", - "name": "dipentyl ether", - "iupac_name": "1-pentoxypentane", - "smiles": "CCCCCOCCCCC", - "inchi": "InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3", - "formula": "C10H22O" - }, - "molarweight": 158.284, - "m": 4.8197, - "sigma": 3.8391, - "epsilon_k": 246.5082, - "mu": 1.1992, - "viscosity": [ - -1.4947, - -3.6239, - -0.8585, - -0.1456 - ] - }, - { - "identifier": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3", - "formula": "C6H14O" - }, - "molarweight": 102.177, - "m": 3.4881, - "sigma": 3.6961, - "epsilon_k": 234.0444, - "mu": 1.2112, - "viscosity": [ - -1.1967, - -2.5254, - -0.4272, - -0.1005 - ] - }, - { - "identifier": { - "cas": "4390-04-9", - "name": "2,2,4,4,6,8,8-heptamethylnonane", - "iupac_name": "2,2,4,4,6,8,8-heptamethylnonane", - "smiles": "CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3", - "formula": "C16H34" - }, - "molarweight": 226.446, - "m": 5.017, - "sigma": 4.3017, - "epsilon_k": 266.5519, - "viscosity": [ - -1.3808, - -3.2389, - -0.6518, - -0.1931 - ] - }, - { - "identifier": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3", - "formula": "C8H18" - }, - "molarweight": 114.231, - "m": 3.1352, - "sigma": 4.0918, - "epsilon_k": 250.0059, - "viscosity": [ - -1.1464, - -2.7647, - -0.5615, - -0.1107 - ] - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "m": 2.6008, - "sigma": 4.0042, - "epsilon_k": 243.51, - "viscosity": [ - -0.9375, - -2.1668, - -0.2861, - -0.0865 - ] - }, - { - "identifier": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3", - "formula": "C5H12" - }, - "molarweight": 72.15, - "m": 2.3543, - "sigma": 3.955, - "epsilon_k": 225.69, - "viscosity": [ - -0.7986, - -2.0899, - -0.2188, - -0.0737 - ] - }, - { - "identifier": { - "cas": "565-75-3", - "name": "2,3,4-trimethyl pentane", - "iupac_name": "2,3,4-trimethylpentane", - "smiles": "CC(C)C(C)C(C)C", - "inchi": "InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3", - "formula": "C8H18" - }, - "molarweight": 114.231, - "m": 3.198, - "sigma": 4.025, - "epsilon_k": 258.5959, - "viscosity": [ - -1.3623, - -2.932, - -0.5877, - -0.1107 - ] - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "m": 2.6853, - "sigma": 3.9545, - "epsilon_k": 246.07, - "viscosity": [ - -1.177, - -2.4259, - -0.3992, - -0.0865 - ] - }, - { - "identifier": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3", - "formula": "C7H16" - }, - "molarweight": 100.204, - "m": 3.1235, - "sigma": 3.9346, - "epsilon_k": 239.7005, - "viscosity": [ - -1.2789, - -2.7334, - -0.5402, - -0.0988 - ] - }, - { - "identifier": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3", - "formula": "C30H62" - }, - "molarweight": 422.822, - "m": 9.734, - "sigma": 4.2525, - "epsilon_k": 263.7664, - "viscosity": [ - -2.6069, - -5.3734, - -1.3691, - -0.2979 - ] - }, - { - "identifier": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "CC(C)(C)OC", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "m": 2.9286, - "sigma": 3.711, - "epsilon_k": 233.9573, - "mu": 1.361, - "viscosity": [ - -0.9246, - -2.401, - -0.426, - -0.0883 - ] - }, - { - "identifier": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3", - "formula": "C5H12" - }, - "molarweight": 72.15, - "m": 2.562, - "sigma": 3.8296, - "epsilon_k": 230.75, - "viscosity": [ - -1.0805, - -2.4514, - -0.439, - -0.0737 - ] - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "m": 2.9317, - "sigma": 3.8535, - "epsilon_k": 235.58, - "viscosity": [ - -1.191, - -2.5695, - -0.4813, - -0.0865 - ] - }, - { - "identifier": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "CC(=C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3", - "formula": "C4H8" - }, - "molarweight": 56.108, - "m": 2.2515, - "sigma": 3.6636, - "epsilon_k": 223.2165, - "mu": 0.5006, - "viscosity": [ - -0.9838, - -2.1027, - -0.3034, - -0.0585 - ] - }, - { - "identifier": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3", - "formula": "C4H8O" - }, - "molarweight": 72.107, - "m": 2.6157, - "sigma": 3.5699, - "epsilon_k": 251.5072, - "mu": 2.6981, - "viscosity": [ - -0.5688, - -2.2652, - -0.4374, - -0.0737 - ] - }, - { - "identifier": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3", - "formula": "C4H10" - }, - "molarweight": 58.123, - "m": 2.2616, - "sigma": 3.7574, - "epsilon_k": 216.53, - "viscosity": [ - -0.9521, - -2.2586, - -0.3438, - -0.0605 - ] - }, - { - "identifier": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3", - "formula": "C6H14O" - }, - "molarweight": 102.177, - "m": 3.5466, - "sigma": 3.6737, - "epsilon_k": 216.8508, - "mu": 1.1302, - "viscosity": [ - -1.3532, - -2.8157, - -0.5234, - -0.1005 - ] - }, - { - "identifier": { - "cas": "617-78-7", - "name": "3-ethylpentane", - "iupac_name": "3-ethylpentane", - "smiles": "CCC(CC)CC", - "inchi": "InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3", - "formula": "C7H16" - }, - "molarweight": 100.204, - "m": 3.1886, - "sigma": 3.887, - "epsilon_k": 247.0555, - "viscosity": [ - -1.2889, - -2.6369, - -0.5094, - -0.0988 - ] - }, - { - "identifier": { - "cas": "590-86-3", - "name": "3-methylbutyraldehyde", - "iupac_name": "3-methylbutanal", - "smiles": "CC(C)CC=O", - "inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3", - "formula": "C5H10O" - }, - "molarweight": 86.134, - "m": 3.0004, - "sigma": 3.6188, - "epsilon_k": 255.2047, - "mu": 2.6082, - "viscosity": [ - -0.6655, - -1.8956, - -0.2519, - -0.0865 - ] - }, - { - "identifier": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(C)CCOC(=O)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3", - "formula": "C7H14O2" - }, - "molarweight": 130.187, - "m": 4.0348, - "sigma": 3.6672, - "epsilon_k": 247.4168, - "mu": 1.7987, - "viscosity": [ - -1.4118, - -2.9353, - -0.5861, - -0.1238 - ] - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "m": 2.8852, - "sigma": 3.8605, - "epsilon_k": 240.48, - "viscosity": [ - -1.191, - -2.5416, - -0.469, - -0.0865 - ] - }, - { - "identifier": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(C)CC(=O)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3", - "formula": "C6H12O" - }, - "molarweight": 100.161, - "m": 3.473, - "sigma": 3.6296, - "epsilon_k": 250.53, - "mu": 2.6891, - "viscosity": [ - -1.3442, - -3.0229, - -0.6378, - -0.0988 - ] - }, - { - "identifier": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3", - "formula": "C4H11N" - }, - "molarweight": 73.138, - "m": 1.3688, - "sigma": 4.7262, - "epsilon_k": 295.2136, - "mu": 0.9204, - "viscosity": [ - -0.6824, - -2.129, - -0.5989, - -0.0746 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1547.4422 - } - ] - }, - { - "identifier": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3", - "formula": "C2H7N" - }, - "molarweight": 45.084, - "m": 2.2493, - "sigma": 3.3738, - "epsilon_k": 226.4848, - "mu": 1.0313, - "viscosity": [ - -0.3807, - 2.1585, - 0.9391, - -0.0477 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 959.5053 - } - ] - }, - { - "identifier": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3", - "formula": "C6H15N" - }, - "molarweight": 101.192, - "m": 3.6653, - "sigma": 3.6551, - "epsilon_k": 240.4467, - "mu": 1.07, - "viscosity": [ - -0.8987, - -2.1083, - -0.2763, - -0.0997 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 39.2881 - } - ] - }, - { - "identifier": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3", - "formula": "C2H4O" - }, - "molarweight": 44.053, - "m": 2.1188, - "sigma": 3.246, - "epsilon_k": 229.8505, - "mu": 2.6891, - "viscosity": [ - -0.3574, - -0.7933, - 0.1404, - -0.0467 - ] - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "C1=CC=CC=C1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "molarweight": 78.114, - "m": 2.2463, - "sigma": 3.7852, - "epsilon_k": 296.24, - "q": 5.5907, - "viscosity": [ - -1.0929, - -2.2871, - -0.4125, - -0.0792 - ] - }, - { - "identifier": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "C(F)(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5", - "formula": "CBrF3" - }, - "molarweight": 148.91, - "m": 2.1338, - "sigma": 3.5126, - "epsilon_k": 185.5387, - "mu": 0.6505, - "viscosity": [ - -0.9604, - -2.6583, - -0.7764, - -0.1385 - ] - }, - { - "identifier": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3", - "formula": "C4H11N" - }, - "molarweight": 73.138, - "m": 1.7814, - "sigma": 4.2631, - "epsilon_k": 293.8144, - "mu": 1.391, - "viscosity": [ - -0.8691, - -2.3216, - -0.5911, - -0.0746 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1497.5173 - } - ] - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "m": 4.2768, - "sigma": 3.0659, - "epsilon_k": 217.7082, - "mu": 1.6698, - "viscosity": [ - -1.0065, - -1.88906, - -0.12523, - -0.07554 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1846.2029 - } - ] - }, - { - "identifier": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "m": 4.4207, - "sigma": 3.0151, - "epsilon_k": 205.1808, - "mu": 1.6608, - "viscosity": [ - -0.9864, - -1.3818, - 0.203, - -0.0755 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1718.0488 - } - ] - }, - { - "identifier": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(=O)C", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3", - "formula": "C4H8O" - }, - "molarweight": 72.107, - "m": 2.9835, - "sigma": 3.4239, - "epsilon_k": 244.99, - "mu": 2.78, - "viscosity": [ - -1.1653, - -2.4287, - -0.4373, - -0.0737 - ] - }, - { - "identifier": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O" - }, - "molarweight": 72.107, - "m": 2.8825, - "sigma": 3.4698, - "epsilon_k": 247.09, - "mu": 2.72, - "viscosity": [ - -0.5809, - -2.0176, - -0.3375, - -0.0737 - ] - }, - { - "identifier": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "molarweight": 58.123, - "m": 2.3316, - "sigma": 3.7086, - "epsilon_k": 222.88, - "viscosity": [ - -0.9763, - -2.2413, - -0.369, - -0.0605 - ] - }, - { - "identifier": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(=O)C", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "molarweight": 116.16, - "m": 3.9629, - "sigma": 3.5482, - "epsilon_k": 242.27, - "mu": 1.87, - "viscosity": [ - -1.3379, - -2.7683, - -0.5104, - -0.1123 - ] - }, - { - "identifier": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3", - "formula": "C10H14" - }, - "molarweight": 134.221, - "m": 3.7662, - "sigma": 3.8727, - "epsilon_k": 283.07, - "viscosity": [ - -1.4557, - -2.8655, - -0.5777, - -0.127 - ] - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "C(=O)=O", - "inchi": "InChI=1S/CO2/c2-1-3", - "formula": "CO2" - }, - "molarweight": 44.01, - "m": 1.5131, - "sigma": 3.1869, - "epsilon_k": 163.33, - "q": 4.4, - "viscosity": [ - -0.5138, - -1.3768, - -0.2074, - -0.0467 - ] - }, - { - "identifier": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)C1=CC=CC=C1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3", - "formula": "C9H12" - }, - "molarweight": 120.194, - "m": 3.3779, - "sigma": 3.8376, - "epsilon_k": 281.5324, - "mu": 0.3897, - "viscosity": [ - -1.3671, - -2.8169, - -0.6018, - -0.1157 - ] - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2", - "formula": "C6H12" - }, - "molarweight": 84.161, - "m": 2.5303, - "sigma": 3.8499, - "epsilon_k": 278.11, - "viscosity": [ - -0.9982, - -2.3823, - -0.3169, - -0.0847 - ] - }, - { - "identifier": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2", - "formula": "C8H16" - }, - "molarweight": 112.215, - "m": 2.9236, - "sigma": 3.9831, - "epsilon_k": 304.8636, - "viscosity": [ - -1.3132, - -2.4521, - -0.3023, - -0.109 - ] - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2", - "formula": "C5H10" - }, - "molarweight": 70.134, - "m": 2.3655, - "sigma": 3.7114, - "epsilon_k": 265.83, - "viscosity": [ - -0.8485, - -2.3053, - -0.3801, - -0.0718 - ] - }, - { - "identifier": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "CCCCCCCCC=C", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3", - "formula": "C10H20" - }, - "molarweight": 140.269, - "m": 4.4503, - "sigma": 3.8544, - "epsilon_k": 248.2291, - "mu": 0.4197, - "viscosity": [ - -1.5058, - -3.2891, - -0.7212, - -0.1318 - ] - }, - { - "identifier": { - "cas": "2016-57-1", - "name": "n-decylamine", - "iupac_name": "decan-1-amine", - "smiles": "CCCCCCCCCCN", - "inchi": "InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3", - "formula": "C10H23N" - }, - "molarweight": 157.299, - "m": 2.4141, - "sigma": 4.9185, - "epsilon_k": 313.772, - "mu": 1.409, - "viscosity": [ - -1.3992, - -3.2065, - -1.039, - -0.1449 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2644.5966 - } - ] - }, - { - "identifier": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3", - "formula": "C10H22O" - }, - "molarweight": 158.284, - "m": 5.7328, - "sigma": 3.596, - "epsilon_k": 243.7089, - "mu": 1.6189, - "viscosity": [ - -1.5371, - -2.97397, - -0.50795, - -0.14562 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1967.8312 - } - ] - }, - { - "identifier": { - "cas": "112-31-2", - "name": "n-decanal", - "iupac_name": "decanal", - "smiles": "CCCCCCCCCC=O", - "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3", - "formula": "C10H20O" - }, - "molarweight": 156.268, - "m": 5.2885, - "sigma": 3.6634, - "epsilon_k": 251.9655, - "mu": 2.5782, - "viscosity": [ - -1.0452, - -2.9497, - -0.6641, - -0.1441 - ] - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3", - "formula": "C10H22" - }, - "molarweight": 142.285, - "m": 4.6627, - "sigma": 3.8384, - "epsilon_k": 243.87, - "viscosity": [ - -1.5367, - -3.149, - -0.6154, - -0.1334 - ] - }, - { - "identifier": { - "cas": "75-43-4", - "name": "dichlorofluoromethane [r21]", - "iupac_name": "dichloro(fluoro)methane", - "smiles": "C(F)(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H", - "formula": "CHCl2F" - }, - "molarweight": 102.923, - "m": 2.4475, - "sigma": 3.3353, - "epsilon_k": 229.5168, - "mu": 1.2891, - "viscosity": [ - -0.985, - -2.3249, - -0.4743, - -0.1012 - ] - }, - { - "identifier": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "C(F)F", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2", - "formula": "CH2F2" - }, - "molarweight": 52.024, - "m": 2.4382, - "sigma": 2.8148, - "epsilon_k": 162.6954, - "mu": 1.9786, - "viscosity": [ - -1.0833, - -1.9968, - -0.2503, - -0.0546 - ] - }, - { - "identifier": { - "cas": "629-97-0", - "name": "docosane", - "iupac_name": "docosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3", - "formula": "C22H46" - }, - "molarweight": 310.607, - "m": 8.9886, - "sigma": 3.9466, - "epsilon_k": 253.9514, - "viscosity": [ - -2.2094, - -4.3373, - -0.9708, - -0.243 - ] - }, - { - "identifier": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3", - "formula": "C12H26O" - }, - "molarweight": 186.338, - "m": 6.2353, - "sigma": 3.6999, - "epsilon_k": 249.0952, - "mu": 1.6908, - "viscosity": [ - -1.6684, - -3.9471, - -0.9305, - -0.1661 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2002.9613 - } - ] - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3", - "formula": "C12H26" - }, - "molarweight": 170.338, - "m": 5.306, - "sigma": 3.8959, - "epsilon_k": 249.21, - "viscosity": [ - -1.6719, - -3.3902, - -0.6956, - -0.1546 - ] - }, - { - "identifier": { - "cas": "123-01-3", - "name": "1-phenyldodecane", - "iupac_name": "dodecylbenzene", - "smiles": "CCCCCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3", - "formula": "C18H30" - }, - "molarweight": 246.436, - "m": 6.8535, - "sigma": 3.9041, - "epsilon_k": 270.8303, - "viscosity": [ - -1.963, - -3.772, - -0.8318, - -0.2058 - ] - }, - { - "identifier": { - "cas": "544-85-4", - "name": "dotriacontane", - "iupac_name": "dotriacontane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3", - "formula": "C32H66" - }, - "molarweight": 450.876, - "m": 12.1112, - "sigma": 4.0303, - "epsilon_k": 258.4649, - "viscosity": [ - -2.6388, - -5.1, - -1.2007, - -0.31 - ] - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3", - "formula": "C2H6" - }, - "molarweight": 30.07, - "m": 1.6069, - "sigma": 3.5206, - "epsilon_k": 191.42, - "viscosity": [ - -0.5741, - -1.5923, - -0.1959, - -0.0325 - ] - }, - { - "identifier": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "C(CO)O", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2", - "formula": "C2H6O2" - }, - "molarweight": 62.068, - "m": 2.6124, - "sigma": 3.1536, - "epsilon_k": 310.114, - "mu": 2.4103, - "viscosity": [ - -0.7689, - -0.9258, - -0.1133, - -0.0642 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2711.6591 - } - ] - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3", - "formula": "C2H6O" - }, - "molarweight": 46.069, - "m": 2.3723, - "sigma": 3.1964, - "epsilon_k": 203.8245, - "mu": 1.6908, - "viscosity": [ - -1.08153, - -1.1998, - -0.13292, - -0.0487 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2514.0609 - } - ] - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2", - "formula": "C2H4" - }, - "molarweight": 28.054, - "m": 1.5425, - "sigma": 3.4523, - "epsilon_k": 179.37, - "q": 2.0, - "viscosity": [ - -0.4941, - -1.4818, - -0.1407, - -0.0304 - ] - }, - { - "identifier": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "CC(=O)OC=C", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3", - "formula": "C4H6O2" - }, - "molarweight": 86.09, - "m": 3.3946, - "sigma": 3.2692, - "epsilon_k": 232.2234, - "mu": 1.7897, - "viscosity": [ - -1.1242, - -2.4374, - -0.4095, - -0.0864 - ] - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "m": 2.9726, - "sigma": 3.5127, - "epsilon_k": 219.53, - "mu": 1.15, - "viscosity": [ - -1.007, - -2.2992, - -0.3894, - -0.0755 - ] - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCC1=CC=CC=C1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", - "formula": "C8H10" - }, - "molarweight": 106.167, - "m": 3.0799, - "sigma": 3.7974, - "epsilon_k": 287.35, - "viscosity": [ - -1.2856, - -2.6929, - -0.5605, - -0.1039 - ] - }, - { - "identifier": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "C(F)(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H", - "formula": "CHF3" - }, - "molarweight": 70.014, - "m": 2.5662, - "sigma": 2.8588, - "epsilon_k": 140.9286, - "mu": 1.6488, - "viscosity": [ - -1.0556, - -2.0562, - -0.2825, - -0.0717 - ] - }, - { - "identifier": { - "cas": "629-94-7", - "name": "heneicosane", - "iupac_name": "henicosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3", - "formula": "C21H44" - }, - "molarweight": 296.58, - "m": 8.7495, - "sigma": 3.9192, - "epsilon_k": 252.3877, - "viscosity": [ - -2.1622, - -4.2184, - -0.9136, - -0.2353 - ] - }, - { - "identifier": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "CCCCCC=C", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3", - "formula": "C7H14" - }, - "molarweight": 98.188, - "m": 3.2863, - "sigma": 3.8138, - "epsilon_k": 243.7559, - "mu": 0.6296, - "viscosity": [ - -1.2614, - -2.6535, - -0.5149, - -0.0971 - ] - }, - { - "identifier": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3", - "formula": "C17H36" - }, - "molarweight": 240.473, - "m": 6.9809, - "sigma": 3.9675, - "epsilon_k": 255.65, - "viscosity": [ - -1.9615, - -3.8823, - -0.8386, - -0.2021 - ] - }, - { - "identifier": { - "cas": "111-68-2", - "name": "heptylamine", - "iupac_name": "heptan-1-amine", - "smiles": "CCCCCCCN", - "inchi": "InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3", - "formula": "C7H17N" - }, - "molarweight": 115.219, - "m": 1.688, - "sigma": 5.0417, - "epsilon_k": 328.7725, - "mu": 1.6608, - "viscosity": [ - -1.1698, - -3.4917, - -1.0288, - -0.1116 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2220.2939 - } - ] - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3", - "formula": "C7H16O" - }, - "molarweight": 116.203, - "m": 4.7248, - "sigma": 3.461, - "epsilon_k": 237.6069, - "mu": 1.7388, - "viscosity": [ - -1.3075, - -2.24414, - -0.26729, - -0.11237 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1956.8424 - } - ] - }, - { - "identifier": { - "cas": "543-49-7", - "name": "2-heptanol", - "iupac_name": "heptan-2-ol", - "smiles": "CCCCCC(C)O", - "inchi": "InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3", - "formula": "C7H16O" - }, - "molarweight": 116.203, - "m": 5.135, - "sigma": 3.3462, - "epsilon_k": 219.5951, - "mu": 1.6488, - "viscosity": [ - -1.3001, - -1.7492, - 0.0215, - -0.1124 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1878.5922 - } - ] - }, - { - "identifier": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3", - "formula": "C7H14O" - }, - "molarweight": 114.188, - "m": 3.7347, - "sigma": 3.6958, - "epsilon_k": 259.1972, - "mu": 2.5002, - "viscosity": [ - -1.4324, - -2.8019, - -0.5333, - -0.1107 - ] - }, - { - "identifier": { - "cas": "111-71-7", - "name": "heptanal", - "iupac_name": "heptanal", - "smiles": "CCCCCCC=O", - "inchi": "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3", - "formula": "C7H14O" - }, - "molarweight": 114.188, - "m": 3.8527, - "sigma": 3.66, - "epsilon_k": 260.6984, - "mu": 2.5782, - "viscosity": [ - -0.8376, - -2.8879, - -0.6488, - -0.1107 - ] - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3", - "formula": "C7H16" - }, - "molarweight": 100.204, - "m": 3.4831, - "sigma": 3.8049, - "epsilon_k": 238.4, - "viscosity": [ - -1.2979, - -2.6936, - -0.4951, - -0.0988 - ] - }, - { - "identifier": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(=O)C", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3", - "formula": "C9H18O2" - }, - "molarweight": 158.241, - "m": 5.3414, - "sigma": 3.5818, - "epsilon_k": 240.1371, - "mu": 1.8707, - "viscosity": [ - -1.556, - -3.0556, - -0.5314, - -0.1456 - ] - }, - { - "identifier": { - "cas": "1078-71-3", - "name": "heptylbenzene", - "iupac_name": "heptylbenzene", - "smiles": "CCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3", - "formula": "C13H20" - }, - "molarweight": 176.302, - "m": 4.5229, - "sigma": 3.9994, - "epsilon_k": 289.0709, - "viscosity": [ - -1.6693, - -3.4376, - -0.8015, - -0.1589 - ] - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "CCCCC=C", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3", - "formula": "C6H12" - }, - "molarweight": 84.161, - "m": 2.9853, - "sigma": 3.7753, - "epsilon_k": 236.81, - "viscosity": [ - -1.164, - -2.4505, - -0.4432, - -0.0847 - ] - }, - { - "identifier": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3", - "formula": "C16H34O" - }, - "molarweight": 242.445, - "m": 7.0917, - "sigma": 3.8845, - "epsilon_k": 259.4044, - "mu": 1.6698, - "viscosity": [ - -1.8993, - -3.0227, - -0.5234, - -0.2033 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2140.2545 - } - ] - }, - { - "identifier": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3", - "formula": "C16H34" - }, - "molarweight": 226.446, - "m": 6.6485, - "sigma": 3.9552, - "epsilon_k": 254.7, - "viscosity": [ - -1.9077, - -3.8125, - -0.829, - -0.1931 - ] - }, - { - "identifier": { - "cas": "111-26-2", - "name": "hexylamine", - "iupac_name": "hexan-1-amine", - "smiles": "CCCCCCN", - "inchi": "InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3", - "formula": "C6H15N" - }, - "molarweight": 101.192, - "m": 3.9434, - "sigma": 3.5463, - "epsilon_k": 247.4674, - "mu": 1.5889, - "viscosity": [ - -1.0803, - -2.3348, - -0.3037, - -0.0997 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 82.5108 - } - ] - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", - "formula": "C6H14O" - }, - "molarweight": 102.177, - "m": 4.3974, - "sigma": 3.3897, - "epsilon_k": 235.5309, - "mu": 1.6488, - "viscosity": [ - -1.218, - -2.0634, - -0.21639, - -0.10052 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1930.6231 - } - ] - }, - { - "identifier": { - "cas": "626-93-7", - "name": "2-hexanol", - "iupac_name": "hexan-2-ol", - "smiles": "CCCCC(C)O", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3", - "formula": "C6H14O" - }, - "molarweight": 102.177, - "m": 4.7812, - "sigma": 3.2816, - "epsilon_k": 217.9545, - "mu": 1.6578, - "viscosity": [ - -1.2075, - -1.7111, - 0.0319, - -0.1005 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1793.3615 - } - ] - }, - { - "identifier": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(=O)C", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3", - "formula": "C6H12O" - }, - "molarweight": 100.161, - "m": 3.5951, - "sigma": 3.5814, - "epsilon_k": 254.4017, - "mu": 2.6801, - "viscosity": [ - -1.3512, - -2.5662, - -0.4335, - -0.0988 - ] - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "m": 3.0576, - "sigma": 3.7983, - "epsilon_k": 236.77, - "viscosity": [ - -1.2035, - -2.5958, - -0.4816, - -0.0865 - ] - }, - { - "identifier": { - "cas": "630-06-8", - "name": "hexatriacontane", - "iupac_name": "hexatriacontane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3", - "formula": "C36H74" - }, - "molarweight": 506.984, - "m": 13.0294, - "sigma": 4.0906, - "epsilon_k": 261.2998, - "viscosity": [ - -2.7953, - -5.655, - -1.4638, - -0.3325 - ] - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3", - "formula": "C20H42" - }, - "molarweight": 282.553, - "m": 7.9849, - "sigma": 3.9869, - "epsilon_k": 257.75, - "viscosity": [ - -2.1139, - -4.1759, - -0.9573, - -0.2273 - ] - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3", - "formula": "CH5N" - }, - "molarweight": 31.057, - "m": 1.6191, - "sigma": 3.337, - "epsilon_k": 246.3797, - "mu": 1.3101, - "viscosity": [ - -0.369, - -1.2753, - -0.2168, - -0.0335 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1103.6088 - } - ] - }, - { - "identifier": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4", - "formula": "CH4" - }, - "molarweight": 16.043, - "m": 1.0, - "sigma": 3.7039, - "epsilon_k": 150.03, - "viscosity": [ - -0.0595, - -0.8908, - -0.0348, - -0.0177 - ] - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "molarweight": 32.042, - "m": 1.5073, - "sigma": 3.3248, - "epsilon_k": 211.5975, - "mu": 1.6998, - "viscosity": [ - -0.577, - -0.44059, - 0.03545, - -0.01064 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2519.7116 - } - ] - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3", - "formula": "C2H6O" - }, - "molarweight": 46.069, - "m": 2.2634, - "sigma": 3.2723, - "epsilon_k": 210.29, - "mu": 1.3, - "viscosity": [ - -0.8518, - -1.8921, - -0.2578, - -0.0487 - ] - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "smiles": "N#N", - "inchi": "InChI=1S/N2/c1-2", - "formula": "N2" - }, - "molarweight": 28.014, - "m": 1.1504, - "sigma": 3.3848, - "epsilon_k": 91.4, - "q": 1.43, - "viscosity": [ - -0.1964, - -0.9461, - -0.031, - -0.0303 - ] - }, - { - "identifier": { - "cas": "124-11-8", - "name": "1-nonene", - "iupac_name": "non-1-ene", - "smiles": "CCCCCCCC=C", - "inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3", - "formula": "C9H18" - }, - "molarweight": 126.242, - "m": 4.0617, - "sigma": 3.8452, - "epsilon_k": 247.0709, - "mu": 0.5996, - "viscosity": [ - -1.4305, - -2.7664, - -0.5102, - -0.1206 - ] - }, - { - "identifier": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3", - "formula": "C19H40" - }, - "molarweight": 268.527, - "m": 7.7175, - "sigma": 3.9721, - "epsilon_k": 256.0, - "viscosity": [ - -2.0644, - -4.0653, - -0.8991, - -0.2191 - ] - }, - { - "identifier": { - "cas": "112-20-9", - "name": "1-aminononane", - "iupac_name": "nonan-1-amine", - "smiles": "CCCCCCCCCN", - "inchi": "InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3", - "formula": "C9H21N" - }, - "molarweight": 143.272, - "m": 2.0093, - "sigma": 5.07, - "epsilon_k": 314.0984, - "mu": 0.8994, - "viscosity": [ - -1.3279, - -3.1517, - -1.0221, - -0.1341 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2731.5672 - } - ] - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", - "formula": "C9H20O" - }, - "molarweight": 144.257, - "m": 4.749, - "sigma": 3.729, - "epsilon_k": 253.6291, - "mu": 1.6099, - "viscosity": [ - -1.4657, - -2.71167, - -0.49511, - -0.13491 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2073.3555 - } - ] - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3", - "formula": "C9H20" - }, - "molarweight": 128.258, - "m": 4.2079, - "sigma": 3.8448, - "epsilon_k": 244.51, - "viscosity": [ - -1.4629, - -3.0058, - -0.5842, - -0.1222 - ] - }, - { - "identifier": { - "cas": "1081-77-2", - "name": "nonylbenzene", - "iupac_name": "nonylbenzene", - "smiles": "CCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3", - "formula": "C15H24" - }, - "molarweight": 204.356, - "m": 5.6327, - "sigma": 3.9104, - "epsilon_k": 275.8787, - "viscosity": [ - -1.7939, - -3.5061, - -0.7608, - -0.1785 - ] - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "CCCCCCC=C", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3", - "formula": "C8H16" - }, - "molarweight": 112.215, - "m": 3.7424, - "sigma": 3.8133, - "epsilon_k": 243.02, - "viscosity": [ - -1.3495, - -2.8423, - -0.5594, - -0.109 - ] - }, - { - "identifier": { - "cas": "630-02-4", - "name": "octacosane", - "iupac_name": "octacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3", - "formula": "C28H58" - }, - "molarweight": 394.769, - "m": 11.4145, - "sigma": 3.9318, - "epsilon_k": 252.3643, - "viscosity": [ - -2.4748, - -5.1281, - -1.2775, - -0.2852 - ] - }, - { - "identifier": { - "cas": "112-92-5", - "name": "1-octadecanol", - "iupac_name": "octadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3", - "formula": "C18H38O" - }, - "molarweight": 270.499, - "m": 7.3343, - "sigma": 3.9962, - "epsilon_k": 266.5143, - "mu": 1.6608, - "viscosity": [ - -2.0036, - -3.7363, - -0.8864, - -0.2203 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2150.7482 - } - ] - }, - { - "identifier": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3", - "formula": "C18H38" - }, - "molarweight": 254.5, - "m": 7.3271, - "sigma": 3.9668, - "epsilon_k": 256.2, - "viscosity": [ - -2.0137, - -4.0711, - -0.9298, - -0.2107 - ] - }, - { - "identifier": { - "cas": "111-86-4", - "name": "1-octanamine", - "iupac_name": "octan-1-amine", - "smiles": "CCCCCCCCN", - "inchi": "InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3", - "formula": "C8H19N" - }, - "molarweight": 129.246, - "m": 1.9349, - "sigma": 4.9721, - "epsilon_k": 315.3046, - "mu": 1.421, - "viscosity": [ - -1.2518, - -2.9995, - -0.9478, - -0.123 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2476.9879 - } - ] - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", - "formula": "C8H18O" - }, - "molarweight": 130.23, - "m": 5.7204, - "sigma": 3.3562, - "epsilon_k": 228.8515, - "mu": 1.6488, - "viscosity": [ - -1.3896, - -2.58867, - -0.28276, - -0.12383 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1869.8446 - } - ] - }, - { - "identifier": { - "cas": "123-96-6", - "name": "2-octanol", - "iupac_name": "octan-2-ol", - "smiles": "CCCCCCC(C)O", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3", - "formula": "C8H18O" - }, - "molarweight": 130.23, - "m": 5.7545, - "sigma": 3.3545, - "epsilon_k": 220.9018, - "mu": 1.6488, - "viscosity": [ - -1.3845, - -1.1782, - 0.3771, - -0.1238 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1721.3869 - } - ] - }, - { - "identifier": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "smiles": "CCCCCCC(=O)C", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3", - "formula": "C8H16O" - }, - "molarweight": 128.214, - "m": 4.467, - "sigma": 3.6222, - "epsilon_k": 252.4353, - "mu": 2.4613, - "viscosity": [ - -1.5078, - -2.842, - -0.5162, - -0.1222 - ] - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", - "formula": "C8H18" - }, - "molarweight": 114.231, - "m": 3.8176, - "sigma": 3.8373, - "epsilon_k": 242.78, - "viscosity": [ - -1.3837, - -2.8569, - -0.5461, - -0.1107 - ] - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3", - "formula": "C15H32" - }, - "molarweight": 212.419, - "m": 6.2855, - "sigma": 3.9531, - "epsilon_k": 254.14, - "viscosity": [ - -1.8521, - -3.7647, - -0.8216, - -0.1839 - ] - }, - { - "identifier": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3", - "formula": "C5H13N" - }, - "molarweight": 87.165, - "m": 1.6177, - "sigma": 4.656, - "epsilon_k": 302.1019, - "mu": 1.5499, - "viscosity": [ - -0.9812, - -2.6533, - -0.7457, - -0.0874 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1923.3059 - } - ] - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "m": 4.305, - "sigma": 3.2421, - "epsilon_k": 228.6214, - "mu": 1.7, - "viscosity": [ - -1.1188, - -2.22062, - -0.25493, - -0.08825 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1835.0315 - } - ] - }, - { - "identifier": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "m": 5.2839, - "sigma": 3.0076, - "epsilon_k": 200.0793, - "mu": 1.6668, - "viscosity": [ - -1.1043, - -1.0389, - 0.4671, - -0.0883 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1713.2429 - } - ] - }, - { - "identifier": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(CC)O", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "m": 4.7983, - "sigma": 3.0947, - "epsilon_k": 203.9658, - "mu": 1.6399, - "viscosity": [ - -1.1043, - -0.9823, - 0.4199, - -0.0883 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1806.0011 - } - ] - }, - { - "identifier": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3", - "formula": "C5H10O" - }, - "molarweight": 86.134, - "m": 3.2786, - "sigma": 3.5159, - "epsilon_k": 248.69, - "mu": 2.82, - "viscosity": [ - -1.2629, - -2.5335, - -0.4528, - -0.0865 - ] - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3", - "formula": "C5H12" - }, - "molarweight": 72.15, - "m": 2.6896, - "sigma": 3.7729, - "epsilon_k": 231.2, - "viscosity": [ - -1.0978, - -2.4577, - -0.4397, - -0.0737 - ] - }, - { - "identifier": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(=O)C", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3", - "formula": "C7H14O2" - }, - "molarweight": 130.187, - "m": 4.1066, - "sigma": 3.646, - "epsilon_k": 249.3581, - "mu": 1.7208, - "viscosity": [ - -1.4154, - -2.7149, - -0.4738, - -0.1238 - ] - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "CC=C", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3", - "formula": "C3H6" - }, - "molarweight": 42.081, - "m": 1.9597, - "sigma": 3.5356, - "epsilon_k": 207.19, - "viscosity": [ - -0.7728, - -1.9599, - -0.2842, - -0.0447 - ] - }, - { - "identifier": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3", - "formula": "C3H9N" - }, - "molarweight": 59.111, - "m": 3.4083, - "sigma": 3.1114, - "epsilon_k": 217.4541, - "mu": 1.1692, - "viscosity": [ - -0.7383, - -1.7723, - -0.0548, - -0.0614 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 86.0572 - } - ] - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "molarweight": 60.096, - "m": 3.4604, - "sigma": 3.0742, - "epsilon_k": 217.3745, - "mu": 1.6788, - "viscosity": [ - -0.8756, - -1.47721, - -0.08931, - -0.06237 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2044.5298 - } - ] - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3", - "formula": "C3H8O" - }, - "molarweight": 60.096, - "m": 4.0249, - "sigma": 2.918, - "epsilon_k": 198.5953, - "mu": 1.6608, - "viscosity": [ - -0.847, - -1.0735, - 0.2102, - -0.0624 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1871.8788 - } - ] - }, - { - "identifier": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(=O)C", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3", - "formula": "C3H6O" - }, - "molarweight": 58.08, - "m": 2.7447, - "sigma": 3.2742, - "epsilon_k": 232.99, - "mu": 2.88, - "viscosity": [ - -1.0551, - -2.22, - -0.3547, - -0.0604 - ] - }, - { - "identifier": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3", - "formula": "C3H6O" - }, - "molarweight": 58.08, - "m": 2.6001, - "sigma": 3.2872, - "epsilon_k": 235.21, - "mu": 2.72, - "viscosity": [ - -0.4766, - -1.3477, - -0.0555, - -0.0604 - ] - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3", - "formula": "C3H8" - }, - "molarweight": 44.097, - "m": 2.002, - "sigma": 3.6184, - "epsilon_k": 208.11, - "viscosity": [ - -0.8013, - -1.9972, - -0.2907, - -0.0467 - ] - }, - { - "identifier": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(=O)C", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "molarweight": 102.133, - "m": 3.7658, - "sigma": 3.4289, - "epsilon_k": 235.42, - "mu": 1.78, - "viscosity": [ - -1.2543, - -2.2953, - -0.2853, - -0.1005 - ] - }, - { - "identifier": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCC1=CC=CC=C1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3", - "formula": "C9H12" - }, - "molarweight": 120.194, - "m": 3.3438, - "sigma": 3.8438, - "epsilon_k": 288.13, - "viscosity": [ - -1.3743, - -2.1888, - -0.3417, - -0.1157 - ] - }, - { - "identifier": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3", - "formula": "C24H50" - }, - "molarweight": 338.661, - "m": 9.7959, - "sigma": 3.9384, - "epsilon_k": 253.5506, - "viscosity": [ - -2.301, - -4.6041, - -1.0303, - -0.2578 - ] - }, - { - "identifier": { - "cas": "112-72-1", - "name": "1-tetradecanol", - "iupac_name": "tetradecan-1-ol", - "smiles": "CCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3", - "formula": "C14H30O" - }, - "molarweight": 214.392, - "m": 5.9103, - "sigma": 3.9832, - "epsilon_k": 266.3354, - "mu": 1.55, - "viscosity": [ - -1.7882, - -2.8133, - -0.5546, - -0.1852 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2238.1838 - } - ] - }, - { - "identifier": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3", - "formula": "C14H30" - }, - "molarweight": 198.392, - "m": 5.9002, - "sigma": 3.9396, - "epsilon_k": 254.21, - "viscosity": [ - -1.7945, - -3.5557, - -0.7385, - -0.1744 - ] - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "CC1=CC=CC=C1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3", - "formula": "C7H8" - }, - "molarweight": 92.141, - "m": 2.8149, - "sigma": 3.7169, - "epsilon_k": 285.69, - "viscosity": [ - -1.1874, - -2.4505, - -0.4581, - -0.0918 - ] - }, - { - "identifier": { - "cas": "638-68-6", - "name": "triacontane", - "iupac_name": "triacontane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3", - "formula": "C30H62" - }, - "molarweight": 422.822, - "m": 11.4888, - "sigma": 4.0142, - "epsilon_k": 258.3031, - "viscosity": [ - -2.5579, - -4.7635, - -1.0517, - -0.2979 - ] - }, - { - "identifier": { - "cas": "638-67-5", - "name": "tricosane", - "iupac_name": "tricosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3", - "formula": "C23H48" - }, - "molarweight": 324.634, - "m": 9.3851, - "sigma": 3.9416, - "epsilon_k": 254.1439, - "viscosity": [ - -2.2556, - -4.2312, - -0.8951, - -0.2505 - ] - }, - { - "identifier": { - "cas": "112-70-9", - "name": "n-tridecanol", - "iupac_name": "tridecan-1-ol", - "smiles": "CCCCCCCCCCCCCO", - "inchi": "InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3", - "formula": "C13H28O" - }, - "molarweight": 200.365, - "m": 5.5859, - "sigma": 3.9862, - "epsilon_k": 265.7028, - "mu": 1.6488, - "viscosity": [ - -1.7295, - -2.8003, - -0.5484, - -0.1758 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 2212.4364 - } - ] - }, - { - "identifier": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3", - "formula": "C13H28" - }, - "molarweight": 184.365, - "m": 5.6877, - "sigma": 3.9143, - "epsilon_k": 249.78, - "viscosity": [ - -1.7345, - -3.4695, - -0.7043, - -0.1647 - ] - }, - { - "identifier": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3", - "formula": "C11H24O" - }, - "molarweight": 172.311, - "m": 7.3595, - "sigma": 3.38, - "epsilon_k": 225.1381, - "mu": 1.6698, - "viscosity": [ - -1.6044, - -3.44231, - -0.5589, - -0.156 - ], - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.03, - "epsilon_k_ab": 1888.8681 - } - ] - }, - { - "identifier": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3", - "formula": "C11H24" - }, - "molarweight": 156.312, - "m": 4.9082, - "sigma": 3.8893, - "epsilon_k": 248.82, - "viscosity": [ - -1.6062, - -3.2485, - -0.65, - -0.1441 - ] - } -] \ No newline at end of file diff --git a/parameters/pcsaft/rehner2020.json b/parameters/pcsaft/rehner2020.json deleted file mode 100644 index eb797bf66..000000000 --- a/parameters/pcsaft/rehner2020.json +++ /dev/null @@ -1,533 +0,0 @@ -[ - { - "identifier": { - "cas": "7732-18-5", - "name": "water_2B", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "m": 1.0, - "sigma": 2.937523956051823, - "epsilon_k": 272.02757407828676, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.04448012165716923, - "epsilon_k_ab": 3125.3202766200056 - } - ] - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water_3B", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "m": 1.6330279759286626, - "sigma": 2.4570046159550527, - "epsilon_k": 238.31794591948915, - "association_sites": [ - { - "na": 2.0, - "nb": 1.0, - "kappa_ab": 0.037807044304069184, - "epsilon_k_ab": 2749.004567423258 - } - ] - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water_4C", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "m": 1.8668282082622842, - "sigma": 2.395032022200541, - "epsilon_k": 169.7751872692369, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.13373757842938191, - "epsilon_k_ab": 1772.0393059972052 - } - ] - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water_2B_polar", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "m": 1.0, - "sigma": 3.0053968064475254, - "epsilon_k": 166.6147951235982, - "mu": 1.6152087869692175, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.09819448826630345, - "epsilon_k_ab": 2667.2518268470913 - } - ] - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water_3B_polar", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "m": 1.0487827145942152, - "sigma": 2.9895654834474055, - "epsilon_k": 115.19417276271591, - "mu": 1.9373715367486852, - "association_sites": [ - { - "na": 2.0, - "nb": 1.0, - "kappa_ab": 0.038235772849856756, - "epsilon_k_ab": 2377.871413812318 - } - ] - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water_4C_polar", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "m": 1.2808374569976761, - "sigma": 2.8129248869728167, - "epsilon_k": 117.77773610908815, - "mu": 1.5050185176397637, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.082906656369032, - "epsilon_k_ab": 1784.1459137848506 - } - ] - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "molarweight": 32.04216, - "m": 2.4858111592517935, - "sigma": 2.7309279912978557, - "epsilon_k": 101.0845669390466, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.11953491759977186, - "epsilon_k_ab": 1834.845540500216 - } - ] - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3", - "formula": "C2H6O" - }, - "molarweight": 46.06904, - "m": 3.0177191329816138, - "sigma": 2.9146460964033283, - "epsilon_k": 124.58467252505255, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.10067627754508424, - "epsilon_k_ab": 1810.4338396651838 - } - ] - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "molarweight": 60.09592, - "m": 2.7557896027662503, - "sigma": 3.311440076695859, - "epsilon_k": 144.37733584205245, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.05810650285845608, - "epsilon_k_ab": 1959.8294504365563 - } - ] - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", - "formula": "C4H10O" - }, - "molarweight": 74.1228, - "m": 3.318220777078113, - "sigma": 3.3475818564926207, - "epsilon_k": 163.6648110273199, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.07216895211562263, - "epsilon_k_ab": 1862.0561323915151 - } - ] - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "molarweight": 88.14968, - "m": 3.2860051452076284, - "sigma": 3.5782776734658577, - "epsilon_k": 179.754303082289, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0762520371571717, - "epsilon_k_ab": 1824.6154575116475 - } - ] - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", - "formula": "C6H14O" - }, - "molarweight": 102.1766, - "m": 3.3311680900063463, - "sigma": 3.7482827652225086, - "epsilon_k": 270.86189939448803, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.002566318648210027, - "epsilon_k_ab": 2778.9261790720657 - } - ] - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3", - "formula": "C7H16O" - }, - "molarweight": 116.2034, - "m": 4.25093612985804, - "sigma": 3.620930465025628, - "epsilon_k": 252.7630330258869, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.003060843493411822, - "epsilon_k_ab": 2700.937487295063 - } - ] - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", - "formula": "C8H18O" - }, - "molarweight": 130.2303, - "m": 4.001221642367511, - "sigma": 3.8281719743325215, - "epsilon_k": 268.72917896983984, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0031104598923094376, - "epsilon_k_ab": 2804.2762044751535 - } - ] - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", - "formula": "C9H20O" - }, - "molarweight": 144.257, - "m": 4.047137615762045, - "sigma": 3.942380472821992, - "epsilon_k": 278.68277806898686, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0014907242131781597, - "epsilon_k_ab": 3103.6530564736395 - } - ] - }, - { - "identifier": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3", - "formula": "C10H22O" - }, - "molarweight": 158.2841, - "m": 4.185921112037352, - "sigma": 4.042094734564122, - "epsilon_k": 281.2912655243266, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.002493036173908781, - "epsilon_k_ab": 3023.609567972825 - } - ] - }, - { - "identifier": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3", - "formula": "C12H26O" - }, - "molarweight": 186.3378, - "m": 5.140293804729545, - "sigma": 3.977088533521953, - "epsilon_k": 274.5543622578429, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.0012672291257527345, - "epsilon_k_ab": 3223.361822388517 - } - ] - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3", - "formula": "C3H8O" - }, - "molarweight": 60.09592, - "m": 3.7734002553252854, - "sigma": 2.9580225196713137, - "epsilon_k": 136.16495641117777, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.09762722816926367, - "epsilon_k_ab": 1718.8359393009746 - } - ] - }, - { - "identifier": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3", - "formula": "C4H10O" - }, - "molarweight": 74.1228, - "m": 4.8327476817460235, - "sigma": 2.9056637283694267, - "epsilon_k": 149.97423748959227, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.16261464675774262, - "epsilon_k_ab": 1469.6277485887485 - } - ] - }, - { - "identifier": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3", - "formula": "C5H12O" - }, - "molarweight": 88.14968, - "m": 4.2949907034388595, - "sigma": 3.2253888374771633, - "epsilon_k": 159.24901703474268, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.0787091926637352, - "epsilon_k_ab": 1771.398524849797 - } - ] - }, - { - "identifier": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(CC)O", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "m": 4.509382495395084, - "sigma": 3.1583304901996687, - "epsilon_k": 162.73433804276743, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.12199296128478557, - "epsilon_k_ab": 1516.0966359637514 - } - ] - }, - { - "identifier": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "C(CO)O", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2", - "formula": "C2H6O2" - }, - "molarweight": 62.06844, - "m": 2.206326914593148, - "sigma": 3.3447087805531535, - "epsilon_k": 211.90069259634961, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.041207808637705026, - "epsilon_k_ab": 2550.2519514335218 - } - ] - }, - { - "identifier": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(CO)O", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3", - "formula": "C3H8O2" - }, - "molarweight": 76.09532, - "m": 3.485594322858587, - "sigma": 3.083720347164495, - "epsilon_k": 183.09717953416344, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.08499573407848357, - "epsilon_k_ab": 2268.8453113675146 - } - ] - }, - { - "identifier": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "C(C(CO)O)O", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2", - "formula": "C3H8O3" - }, - "molarweight": 92.09472, - "m": 2.294072668747126, - "sigma": 3.6606590687653835, - "epsilon_k": 299.7826857254255, - "association_sites": [ - { - "na": 2.0, - "nb": 2.0, - "kappa_ab": 0.019561736415810844, - "epsilon_k_ab": 3069.7332849899476 - } - ] - } -] \ No newline at end of file diff --git a/parameters/pcsaft/rehner2023_binary.json b/parameters/pcsaft/rehner2023_binary.json deleted file mode 100644 index 29042e967..000000000 --- a/parameters/pcsaft/rehner2023_binary.json +++ /dev/null @@ -1,138058 +0,0 @@ -[ - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 2319.833028322245 - } - ] - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2576.2008773116377 - } - ] - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 2533.797104480089 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 2034.4750111431626 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2038.447052867045 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2585.013595190628 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1574.379306935181 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2029.6616459170486 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1669.5401903059733 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1554.7908804454332 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00178, - "epsilon_k_ab": 2073.1703498050892 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01123, - "epsilon_k_ab": 1817.1906101247682 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00171, - "epsilon_k_ab": 1199.8763555033213 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.19141, - "epsilon_k_ab": 2237.0828083620186 - } - ] - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "association_sites": [ - { - "kappa_ab": 0.02401, - "epsilon_k_ab": 2344.067417238059 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1553.5894560036947 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 967.0148473040966 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1390.9832370805657 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1423.726374783769 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1585.3828576299775 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1795.9821289736046 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1899.9720542834846 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 2650.4280200197127 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 2877.0539773435585 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1018.3640149409217 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "111-55-7", - "name": "ethylene glycol diacetate", - "iupac_name": "2-acetyloxyethyl acetate", - "smiles": "CC(=O)OCCOC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1444.327438524796 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 2135.5888816539696 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01627, - "epsilon_k_ab": 2266.6305046961224 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1252.0753567130737 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2098.558122469182 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1445.1988717830925 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2155.2022123950132 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1973.386013285599 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1391.2917158853534 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1126.892111682594 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2660.8323077946925 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1271.2801976270277 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2035.328385171949 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1385.6543146092695 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1458.8203071182022 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1628.9886551273037 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1096.1823057635593 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1764.1238384043036 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2070.207227633148 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2107.407235291027 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1748.4745197582315 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1659.5453791575671 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2075.015809412059 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1682.558348323089 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1772.7440576927806 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1005.9780349670174 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1595.5973147905147 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1010.9809115016537 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1487.383690442823 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1561.8885872969677 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1464.7359283405408 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1648.1851535572673 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2591.325382960884 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1322.5208262505178 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1420.8749135222479 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1804.6688834062497 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1218.8300998537732 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2544.5176915287766 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1666.0655903672262 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1284.773164429284 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 825.0756891100953 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1530.682847250175 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2237.63909953923 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1033.0101372123988 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2001.1154009067363 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1110.5311379091875 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2230.4119835186852 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1312.727092110558 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1377.7868922007322 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1407.2265116442645 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1179.603604407861 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2315.7624894945056 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1322.3518713479996 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1445.149065690934 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1207.6278626530634 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1401.985650703604 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1754.1778232990232 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1222.3617726151328 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 964.2044198208083 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1370.3355289497247 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2207.3247251066314 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1698.609455495636 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1363.814267316578 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1910.3776028951265 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1672.515437494131 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 962.5371597919825 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1270.2609119356841 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1680.1977394912944 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1879.8973359654217 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1361.3074838772545 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 715.18426803651 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1455.2504455873886 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1178.882998468676 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1200.6819306360123 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "539-82-2", - "name": "ethyl valerate", - "iupac_name": "ethyl pentanoate", - "smiles": "CCCCC(=O)OCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 961.8140450529452 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1887.5120144590692 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(C)=O", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1484.9412714674781 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1083.6501419121412 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-57-7", - "name": "1,1-diethoxyethane", - "iupac_name": "1,1-diethoxyethane", - "smiles": "CCOC(C)OCC", - "inchi": "InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1414.6214394084666 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1559.6610434653812 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1405.9266280009083 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1261.5450271482187 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1789.787831253847 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1325.1333190800656 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1289.9564590557454 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2239.4299076609223 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1073.7571407993814 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1447.9275211939027 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1215.0209477633641 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1512.4074190209355 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1137.661852060038 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "97-62-1", - "name": "ethyl isobutyrate", - "iupac_name": "ethyl 2-methylpropanoate", - "smiles": "CCOC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1274.068323305574 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2024.4064545248223 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 949.0084792662628 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 894.3854871328645 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "13171-18-1", - "name": "2-methoxy-1,1,1,3,3,3-hexafluoropropane [r356mmz]", - "iupac_name": "1,1,1,3,3,3-hexafluoro-2-methoxypropane", - "smiles": "COC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1192.4599550713788 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1257.996134413699 - } - ] - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2105.4543288866025 - } - ] - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1410.551291270216 - } - ] - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1243.2329080543586 - } - ] - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1057.6706521347076 - } - ] - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "association_sites": [ - { - "kappa_ab": 0.00271, - "epsilon_k_ab": 1096.8067932163274 - } - ] - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "association_sites": [ - { - "kappa_ab": 0.13605, - "epsilon_k_ab": 3729.7621715523483 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1571.3755038083455 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1943.5327707580973 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1543.813775949527 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1623.865474328671 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1842.3030378907015 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1780.6441626288442 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1537.196347985706 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 2016.8817727096712 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1502.5753173941137 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1551.8960306648678 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1811.900492882433 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1868.2457098718942 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2429.913530734919 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1473.7635099109675 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "110-45-2", - "name": "isoamyl formate", - "iupac_name": "3-methylbutyl formate", - "smiles": "CC(C)CCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1419.7732122988316 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1767.6348180397545 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1649.8308538346241 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1653.243855262621 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2227.644130847739 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 8606.043732389966 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1504.598940332667 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1661.9125430991444 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2395.9355847132942 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1463.2205146801114 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1756.7455242035603 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1648.2886135145966 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2150.8041448309386 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "638-49-3", - "name": "amyl formate", - "iupac_name": "pentyl formate", - "smiles": "CCCCCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1540.08463110189 - } - ] - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1144.6116325221897 - } - ] - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 974.0534371834365 - } - ] - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 371.34679232148244 - } - ] - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1281.5150247450679 - } - ] - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1297.4413887428923 - } - ] - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 840.3817386831544 - } - ] - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 997.3097834230647 - } - ] - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 271.01008965013125 - } - ] - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.09951, - "epsilon_k_ab": 931.9510145484752 - } - ] - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.02373, - "epsilon_k_ab": 889.507892871914 - } - ] - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.02373, - "epsilon_k_ab": 1426.4380398363407 - } - ] - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 465.0778059970415 - } - ] - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00463, - "epsilon_k_ab": 2062.540056012159 - } - ] - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2232.217914838515 - } - ] - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2061.4501954135458 - } - ] - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1501.1614047723779 - } - ] - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2138.4169005841572 - } - ] - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2372.095011946187 - } - ] - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1757.8705078734033 - } - ] - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1954.1692572975685 - } - ] - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 832.8476499653761 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03413, - "epsilon_k_ab": 2383.4813885558056 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1324.8137673286208 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01161, - "epsilon_k_ab": 2867.0060430073636 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 964.9585649644068 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1402.1680149539995 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.22091, - "epsilon_k_ab": 846.6229644655973 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1735.6590724509551 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1449.0747920491842 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1134.89010559595 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 206.66834317731298 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 724.6627260566731 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00381, - "epsilon_k_ab": 1655.5016233190477 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 409.1777931455097 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.103, - "epsilon_k_ab": 943.3119432835557 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.09951, - "epsilon_k_ab": 1118.7140869390955 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.07367, - "epsilon_k_ab": 515.567459608969 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00539, - "epsilon_k_ab": 1861.5026680092897 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00144, - "epsilon_k_ab": 1730.289006796475 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "149-57-5", - "name": "2-ethyl hexanoic acid", - "iupac_name": "2-ethylhexanoic acid", - "smiles": "CCCCC(CC)C(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" - }, - "association_sites": [ - { - "kappa_ab": 0.00982, - "epsilon_k_ab": 1927.6976934041902 - } - ] - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 516.6365755348145 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2063.02968613908 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1634.4955865359593 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2142.362280792416 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1720.0064127835508 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1703.5550583563377 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2253.039021114567 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2241.2424752928437 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2087.4098499612346 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2029.7780647872903 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1676.2796773465534 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1463.7341729517632 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1296.875037498349 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1655.9229498663356 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1765.418376028888 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1332.5228192057555 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1511.6290037703798 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1321.5258761565628 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1680.6645735960446 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1676.0602059196249 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1633.3806598611404 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1495.5173484006737 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1823.5984988804225 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1862.0065125668361 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1578.5510877624492 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1806.2254605316898 - } - ] - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03413, - "epsilon_k_ab": 2464.054875899399 - } - ] - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "association_sites": [ - { - "kappa_ab": 0.00222, - "epsilon_k_ab": 2114.5194232357185 - } - ] - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00222, - "epsilon_k_ab": 1452.9928885227214 - } - ] - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1748.861110703633 - } - ] - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1435.443449197397 - } - ] - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2291.6989529689436 - } - ] - }, - { - "id1": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2692.255922982429 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1328.4321972975808 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2065.0471142758474 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1375.137089340193 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1119.6930694533382 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1543.7916267917888 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1501.3776603346716 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1737.60370174033 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2035.3609382877405 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2092.273592589732 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1692.251855208789 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1525.7017519292158 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1999.0112528933792 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 585.704902208291 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1281.9457615067524 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1255.4643679059748 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1392.5333895145338 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1690.279855626179 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1363.3156569956716 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1938.360138339705 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1192.834741692747 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1779.7076285757764 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1261.975725275148 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2074.047813328533 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "141-32-2", - "name": "2-propenoic acid butyl ester", - "iupac_name": "butyl prop-2-enoate", - "smiles": "C=CC(=O)OCCCC", - "inchi": "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 817.2734599793582 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 916.6572354022121 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1302.8809611590184 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1350.1451765567354 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1502.309987063275 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1606.6918529746474 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 830.6760911868819 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "97-88-1", - "name": "methacrylic acid, butyl ester", - "iupac_name": "butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCCC", - "inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1436.8017827396136 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1912.8307806424855 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1285.5297792736778 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1214.054487080966 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1298.8568619033215 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1837.4429675695205 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1455.6494484254945 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1067.392656315591 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1716.321414258661 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1357.8784728341843 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1301.841456334572 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1695.163496672957 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1767.344652549913 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1485.3582084604298 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1242.472123044356 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1503.0724289996867 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "628-90-0", - "name": "dimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxy)methane", - "smiles": "COCOCOC", - "inchi": "InChI=1S/C4H10O3/c1-5-3-7-4-6-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1070.673838488073 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-52-9", - "name": "dibutylcarbonate", - "iupac_name": "dibutyl carbonate", - "smiles": "CCCCOC(=O)OCCCC", - "inchi": "InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1707.898385711435 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1071.1226309760384 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "97-62-1", - "name": "ethyl isobutyrate", - "iupac_name": "ethyl 2-methylpropanoate", - "smiles": "CCOC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1378.8803645158623 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 829.2249520876342 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 844.2915074157759 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "13353-03-2", - "name": "trimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxy)methane", - "smiles": "COCOCOCOC", - "inchi": "InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1379.021387815213 - } - ] - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1924.7884517189877 - } - ] - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2182.560719720096 - } - ] - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1676.881148188295 - } - ] - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1173.248739688467 - } - ] - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1628.99712535059 - } - ] - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 959.9528115686717 - } - ] - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.19141, - "epsilon_k_ab": 2151.5632639626942 - } - ] - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 2148.56645927136 - } - ] - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.09951, - "epsilon_k_ab": 1937.375495979849 - } - ] - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00239, - "epsilon_k_ab": 2403.969707256903 - } - ] - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01161, - "epsilon_k_ab": 3071.0833105560773 - } - ] - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "association_sites": [ - { - "kappa_ab": 0.01161, - "epsilon_k_ab": 3687.3758965971037 - } - ] - }, - { - "id1": { - "cas": "583-60-8", - "name": "2-methylcyclohexanone", - "iupac_name": "2-methylcyclohexan-1-one", - "smiles": "CC1CCCCC1=O", - "inchi": "InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00171, - "epsilon_k_ab": 2115.0037396169496 - } - ] - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 955.4728169918226 - } - ] - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1535.9438584122722 - } - ] - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1497.3254650289662 - } - ] - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00298, - "epsilon_k_ab": 1901.5601773050878 - } - ] - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 699.3717413651058 - } - ] - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "association_sites": [ - { - "kappa_ab": 0.01197, - "epsilon_k_ab": 1100.438161697378 - } - ] - }, - { - "id1": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1729.8530949906144 - } - ] - }, - { - "id1": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 375.51809447998676 - } - ] - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 948.2045841224997 - } - ] - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1080.2991037214256 - } - ] - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.09951, - "epsilon_k_ab": 1671.1691071807697 - } - ] - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2493.349630061398 - } - ] - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1863.6717652005325 - } - ] - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 2189.8245902160697 - } - ] - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00239, - "epsilon_k_ab": 3159.688098443057 - } - ] - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00161, - "epsilon_k_ab": 3172.8816338152587 - } - ] - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1176.8615521262639 - } - ] - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 980.0593467673457 - } - ] - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1360.6676202995945 - } - ] - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 486.2314597583124 - } - ] - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1322.0078119847922 - } - ] - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 877.1487334487338 - } - ] - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 630.1607518352407 - } - ] - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 576.7571342756435 - } - ] - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00178, - "epsilon_k_ab": 851.0961217223223 - } - ] - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.81717, - "epsilon_k_ab": 211.50837630963017 - } - ] - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1341.8653954772399 - } - ] - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2167.56810566543 - } - ] - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2360.620705153837 - } - ] - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1733.1519524382647 - } - ] - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1528.739596267198 - } - ] - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 971.5925893612906 - } - ] - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1611.8011664121284 - } - ] - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "association_sites": [ - { - "kappa_ab": 0.03123, - "epsilon_k_ab": 1709.9560946338447 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 1275.9548926826235 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 622.6145415863712 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1356.5783305248235 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.22091, - "epsilon_k_ab": 760.498211169857 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1794.9859763611576 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1377.3652524818337 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 781.2220521833317 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1055.4551676246087 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 338.0595180154671 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1156.4089232583144 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00381, - "epsilon_k_ab": 1989.6555207574854 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 459.99134635707617 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.103, - "epsilon_k_ab": 909.090054675364 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 328.34220058053904 - } - ] - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "association_sites": [ - { - "kappa_ab": 0.02401, - "epsilon_k_ab": 2274.523445458027 - } - ] - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 860.0596896025235 - } - ] - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1411.632748714631 - } - ] - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1375.5566003543313 - } - ] - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1062.5501949903912 - } - ] - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1298.9414025393905 - } - ] - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 430.5441266532385 - } - ] - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.0001, - "epsilon_k_ab": 850.5435805355365 - } - ] - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1715.7457046198042 - } - ] - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 500.96425170059683 - } - ] - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00144, - "epsilon_k_ab": 2193.640097719118 - } - ] - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "102-69-2", - "name": "tripropylamine", - "iupac_name": "n,n-dipropylpropan-1-amine", - "smiles": "CCCN(CCC)CCC", - "inchi": "InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 1377.8926381910435 - } - ] - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1632.3808065935398 - } - ] - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1228.5925651353648 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 991.213553640219 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1484.5419649905862 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1276.8070967416952 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1503.6441516135346 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1208.2976737840029 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1176.9899825445873 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1259.0696497360375 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 610.5262022283437 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 801.2412909176255 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1172.4223255040415 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1313.0046346683357 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 431.5541286856933 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1502.6385084409615 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 874.2442002445182 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 756.9853656168891 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 381.3456035920134 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1311.109270435793 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 558.1467827914071 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1432.556101874618 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 680.784381940245 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 332.51859045935805 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 841.9232378672185 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 972.7823202234255 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1354.55197758571 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 815.2924461834587 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "624-54-4", - "name": "amyl propioanate", - "iupac_name": "pentyl propanoate", - "smiles": "CCCCCOC(=O)CC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03508, - "epsilon_k_ab": 639.7149517521074 - } - ] - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 978.9470555763943 - } - ] - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.22091, - "epsilon_k_ab": 745.595475237668 - } - ] - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1923.1780179093666 - } - ] - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1271.2728384941443 - } - ] - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00381, - "epsilon_k_ab": 2221.8336546959354 - } - ] - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 690.6148333937629 - } - ] - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "association_sites": [ - { - "kappa_ab": 0.01854, - "epsilon_k_ab": 2720.9856801175956 - } - ] - }, - { - "id1": { - "cas": "616-39-7", - "name": "methyl diethyl amine", - "iupac_name": "n-ethyl-n-methylethanamine", - "smiles": "CCN(C)CC", - "inchi": "InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1471.1238507289902 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1542.241017464615 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2173.8853548519483 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2125.1963438343414 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1698.7954036631686 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1197.9886419238182 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1764.7133067772827 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2065.4344768201668 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2768.1266770731545 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1534.8621532077475 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1826.8009436871644 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1139.288504931264 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1418.2482972597659 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "534-15-6", - "name": "1,1-dimethoxyethane", - "iupac_name": "1,1-dimethoxyethane", - "smiles": "COC(C)OC", - "inchi": "InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1357.8940474249355 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1046.4986238300683 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1392.8745933942819 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1399.8064409522651 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1189.663489257766 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1613.4354837774151 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2598.6066205585257 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2091.178995085601 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "78-94-4", - "name": "methyl vinyl ketone", - "iupac_name": "but-3-en-2-one", - "smiles": "C=CC(C)=O", - "inchi": "InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1914.410152610319 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1413.1617074284507 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1378.376319105629 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1466.556305887782 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1196.365555789926 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "126-98-7", - "name": "methacrylonitrile", - "iupac_name": "2-methylprop-2-enenitrile", - "smiles": "C=C(C)C#N", - "inchi": "InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1735.0016357483964 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2529.834606396915 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1667.660823029407 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1315.7799519024047 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1248.050304065446 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "628-32-0", - "name": "ethyl propyl ether", - "iupac_name": "1-ethoxypropane", - "smiles": "CCCOCC", - "inchi": "InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1218.8351485852525 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1261.13445761586 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1002.1894918579704 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1347.9270745074577 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1693.1269254462195 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1270.593371811203 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1397.1358478927395 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1305.1891985810971 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2552.4711525912007 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1289.5991354601967 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1636.385389160624 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1144.0619401206523 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 849.8352999553404 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1366.8286317736006 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1709.8135416803314 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1313.7803677319507 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1668.896553975443 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1347.6210597527042 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1034.3647156789623 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1364.9223972150671 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1617.4107399648651 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2046.7142517223128 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1615.5292071547547 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 935.2485636554813 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1254.0638713266803 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1787.8861335559702 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1651.4684124263601 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1566.3213957457708 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1242.163638620402 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1186.858830373189 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 887.0223527765381 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1402.8864265308466 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1694.7673454514347 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1113.450579483017 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1334.4091382593017 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1820.956181045297 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "77-76-9", - "name": "2,2-dimethoxypropane", - "iupac_name": "2,2-dimethoxypropane", - "smiles": "COC(C)(C)OC", - "inchi": "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1215.4694707501235 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-38-4", - "name": "vinyl propionate", - "iupac_name": "ethenyl propanoate", - "smiles": "C=COC(=O)CC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1032.1662140317212 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1149.4779726698898 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1611.778056463004 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1119-40-0", - "name": "dimethyl glutarate", - "iupac_name": "dimethyl pentanedioate", - "smiles": "COC(=O)CCCC(=O)OC", - "inchi": "InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1531.3877698951087 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1173.2482937143045 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1441.085430496559 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1341.8389357120604 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1266.139475110233 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "542-52-9", - "name": "dibutylcarbonate", - "iupac_name": "dibutyl carbonate", - "smiles": "CCCCOC(=O)OCCCC", - "inchi": "InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1582.8509274972089 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1699.020802518336 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1109.626935352033 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1865.3565618127177 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1387.1823281127768 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1189.707151795727 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1579.4329206040675 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "97-62-1", - "name": "ethyl isobutyrate", - "iupac_name": "ethyl 2-methylpropanoate", - "smiles": "CCOC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1252.5211211860453 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1467.802237428527 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1422.7746172038737 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1175.7693970460698 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "13171-18-1", - "name": "2-methoxy-1,1,1,3,3,3-hexafluoropropane [r356mmz]", - "iupac_name": "1,1,1,3,3,3-hexafluoro-2-methoxypropane", - "smiles": "COC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1376.750150896955 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "616-47-7", - "name": "n-methylimidazole", - "iupac_name": "1-methylimidazole", - "smiles": "Cn1ccnc1", - "inchi": "InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2313.6440479976154 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1512.610026180462 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "13509-27-8", - "name": "methyl phenyl carbonate", - "iupac_name": "methyl phenyl carbonate", - "smiles": "COC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 839.56951842505 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "13353-03-2", - "name": "trimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxy)methane", - "smiles": "COCOCOCOC", - "inchi": "InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1308.6297112603072 - } - ] - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.22091, - "epsilon_k_ab": 1071.1122893344264 - } - ] - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.22091, - "epsilon_k_ab": 877.7473709875536 - } - ] - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.22091, - "epsilon_k_ab": 961.2853073486529 - } - ] - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.22091, - "epsilon_k_ab": 963.1002105165862 - } - ] - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2081.5808384802576 - } - ] - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1345.2047855184765 - } - ] - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1479.751677045344 - } - ] - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00837, - "epsilon_k_ab": 1972.1195739800746 - } - ] - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1712.4682927486938 - } - ] - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1761.1755258434525 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2129.778341154494 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2320.111120943657 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1687.2874462251405 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1753.2031077798306 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1672.0427550627007 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1576.3465377037828 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1797.88881284741 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1803.2298438351502 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1213.9828771581847 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2006.5347728592035 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1565.3676627792793 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1279.9832579575614 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1743.2366688353768 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1920.2603941296475 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1761.508940195525 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2000.6075511558267 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1629.4282471182366 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2027.4395248589149 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1889.170709992382 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1692.4718026658318 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1895.8169165673448 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "97-85-8", - "name": "isobutyl isobutyrate", - "iupac_name": "2-methylpropyl 2-methylpropanoate", - "smiles": "CC(C)COC(=O)C(C)C", - "inchi": "InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1622.8257271059756 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "624-54-4", - "name": "amyl propioanate", - "iupac_name": "pentyl propanoate", - "smiles": "CCCCCOC(=O)CC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1647.2357817698978 - } - ] - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1689.4454407719322 - } - ] - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00254, - "epsilon_k_ab": 2416.6732657956823 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1618.9523853728203 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1295.6518838637808 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1902.5115695893792 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 2206.2704832778195 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1599.0549067145864 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1760.12331371674 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1888.0980031917939 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 941.3838792110253 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 2116.0335659163543 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1727.969075364907 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1369.0376828744795 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "106-32-1", - "name": "octanoic acid ethyl ester", - "iupac_name": "ethyl octanoate", - "smiles": "CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1724.4582284481448 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1650.4905001234758 - } - ] - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1330.634333148803 - } - ] - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.02702, - "epsilon_k_ab": 2019.7130374763965 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1294.1848364026803 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1754.575875830677 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1328.5517965108609 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1620.0635294622239 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1324.3549082065033 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 999.2993828503844 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1054.4324756619744 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1387.0053768737248 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1100.6799215796682 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1458.0291669478288 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 755.6238788686411 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1313.9663112237254 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 742.112069300113 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 898.6340818059035 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1351.553636562286 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1168.9685101615419 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1872.366401945333 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 995.6812695954933 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 697.394375574793 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 289.2728745788121 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 898.240385921257 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1471.5036825956372 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 890.4866785187915 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1156.8261166154998 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 879.9857494411153 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1156.2270690983707 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1364.067656189047 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1235.7602924521784 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 983.9207658085833 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1241.3284241428873 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1174.3362905661468 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "628-90-0", - "name": "dimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxy)methane", - "smiles": "COCOCOC", - "inchi": "InChI=1S/C4H10O3/c1-5-3-7-4-6-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 750.1845306405056 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 701.4295063808121 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1109.5734875038677 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "547-63-7", - "name": "2-methylpropanoic acid methyl ester", - "iupac_name": "methyl 2-methylpropanoate", - "smiles": "COC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1033.7684389414276 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "97-62-1", - "name": "ethyl isobutyrate", - "iupac_name": "ethyl 2-methylpropanoate", - "smiles": "CCOC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1036.4451149068866 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "644-49-5", - "name": "propyl isobutyrate", - "iupac_name": "propyl 2-methylpropanoate", - "smiles": "CCCOC(=O)C(C)C", - "inchi": "InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1112.6059756359057 - } - ] - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1817.8210206322083 - } - ] - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 941.0705407348181 - } - ] - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.103, - "epsilon_k_ab": 1073.0587534983188 - } - ] - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.0001, - "epsilon_k_ab": 2290.882325 - } - ] - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 760.714207999162 - } - ] - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1988.203589315479 - } - ] - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "association_sites": [ - { - "kappa_ab": 0.01943, - "epsilon_k_ab": 1933.2491631361736 - } - ] - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 2314.218566204656 - } - ] - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 2415.30907352395 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1865.9285096480687 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1179.1844423461775 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1114.7373184702262 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1531.7199395021164 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1301.0596981525625 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1026.2043383059008 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 614.7600697903066 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1350.1212284741366 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1428.1564451727977 - } - ] - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.103, - "epsilon_k_ab": 1447.1721726875026 - } - ] - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.07367, - "epsilon_k_ab": 864.0614034305507 - } - ] - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00963, - "epsilon_k_ab": 2150.608584287236 - } - ] - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1523.7576680664758 - } - ] - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "association_sites": [ - { - "kappa_ab": 0.00047, - "epsilon_k_ab": 2127.6917437959155 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1020.4644252686654 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1915.8801913422785 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1294.3367790064922 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1742.691662516443 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 419.1025118429611 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1158.9215196152088 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 816.1584134469238 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1321.826103590054 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 258.19153921623 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 242.8085098003354 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1875.961996236037 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 715.3991095179878 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-55-7", - "name": "ethylene glycol diacetate", - "iupac_name": "2-acetyloxyethyl acetate", - "smiles": "CC(=O)OCCOC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 857.324997238911 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1374.664757201625 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 783.9804200359121 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 614.6271138722934 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 328.2236380348927 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1198.6685802546654 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 721.9733128048562 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 988.3875453188676 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1190-76-7", - "name": "cis-crotonitrile", - "iupac_name": "(z)-but-2-enenitrile", - "smiles": "C/C=C\\C#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 468.99714331315863 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1253.3997402642713 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 334.83061266213576 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 496.1868793301345 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "4253-91-2", - "name": "dipropylsulfoxide", - "iupac_name": "1-propylsulfinylpropane", - "smiles": "CCCS(=O)CCC", - "inchi": "InChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 2564.6639529256026 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "70-29-1", - "name": "diethyl sulfoxide", - "iupac_name": "1-ethylsulfinylethane", - "smiles": "CCS(=O)CC", - "inchi": "InChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 2567.2482714277266 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-02-4", - "name": "n-methylmorpholine", - "iupac_name": "4-methylmorpholine", - "smiles": "CN1CCOCC1", - "inchi": "InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1043.1413634239163 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 754.5552858643866 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "539-88-8", - "name": "4-oxo-pentanoic acid ethyl ester", - "iupac_name": "ethyl 4-oxopentanoate", - "smiles": "CCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 814.5095452978592 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "6674-22-2", - "name": "1,5-diazabicyclo[5.4.0]undec-5-ene", - "iupac_name": "2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine", - "smiles": "C1CCC2=NCCCN2CC1", - "inchi": "InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1792.7906677146348 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "3001-72-7", - "name": "1,5-diazabicyclo[4.3.0]non-5-ene", - "iupac_name": "2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine", - "smiles": "C1CN=C2CCCN2C1", - "inchi": "InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2" - }, - "association_sites": [ - { - "kappa_ab": 0.35319, - "epsilon_k_ab": 2129.550024135724 - } - ] - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.10474, - "epsilon_k_ab": 597.915866452568 - } - ] - }, - { - "id1": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.02657, - "epsilon_k_ab": 737.636118234235 - } - ] - }, - { - "id1": { - "cas": "91-66-7", - "name": "n,n-diethylaniline", - "iupac_name": "n,n-diethylaniline", - "smiles": "CCN(CC)c1ccccc1", - "inchi": "InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1618.881387388999 - } - ] - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "62781-99-1", - "name": "cyclopentyl formate", - "iupac_name": "cyclopentyl formate", - "smiles": "O=COC1CCCC1", - "inchi": "InChI=1S/C6H10O2/c7-5-8-6-3-1-2-4-6/h5-6H,1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00178, - "epsilon_k_ab": 2019.2399642220996 - } - ] - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 363.4945803328939 - } - ] - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00381, - "epsilon_k_ab": 2073.4547464641278 - } - ] - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1996.42063251304 - } - ] - }, - { - "id1": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "id2": { - "cas": "111-69-3", - "name": "1,4-dicyanobutane", - "iupac_name": "hexanedinitrile", - "smiles": "N#CCCCCC#N", - "inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 1057.2303911503934 - } - ] - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 2191.066165846335 - } - ] - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 1068.686475733691 - } - ] - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 242.47402475520698 - } - ] - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 114.36200477944772 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 16928.053234234943 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1596.3354132570053 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1391.4924230860302 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1356.7002869775686 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1226.3610564018193 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1047.385242685569 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1356.6233571154098 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1189.4583734317603 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "106-31-0", - "name": "butyric anhydride", - "iupac_name": "butanoyl butanoate", - "smiles": "CCCC(=O)OC(=O)CCC", - "inchi": "InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.30395, - "epsilon_k_ab": 879.5164977234448 - } - ] - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00381, - "epsilon_k_ab": 2157.409540769491 - } - ] - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 413.3389204730485 - } - ] - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1923.61907885048 - } - ] - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00298, - "epsilon_k_ab": 2233.0236834483835 - } - ] - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00539, - "epsilon_k_ab": 2140.3560556966822 - } - ] - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00314, - "epsilon_k_ab": 2269.8750535147306 - } - ] - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "149-57-5", - "name": "2-ethyl hexanoic acid", - "iupac_name": "2-ethylhexanoic acid", - "smiles": "CCCCC(CC)C(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" - }, - "association_sites": [ - { - "kappa_ab": 0.00982, - "epsilon_k_ab": 2158.874782940043 - } - ] - }, - { - "id1": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00241, - "epsilon_k_ab": 2907.9652690925323 - } - ] - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 184.957741289331 - } - ] - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00889, - "epsilon_k_ab": 2155.0495136937143 - } - ] - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "4351-54-6", - "name": "cyclohexyl formate", - "iupac_name": "cyclohexyl formate", - "smiles": "O=COC1CCCCC1", - "inchi": "InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00171, - "epsilon_k_ab": 1978.4000407731291 - } - ] - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "105-68-0", - "name": "isoamyl propionate", - "iupac_name": "3-methylbutyl propanoate", - "smiles": "CCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00381, - "epsilon_k_ab": 1697.6014625684977 - } - ] - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "106-27-4", - "name": "isoamyl butyrate", - "iupac_name": "3-methylbutyl butanoate", - "smiles": "CCCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00381, - "epsilon_k_ab": 2150.953258232673 - } - ] - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 449.3675635519213 - } - ] - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 367.7655461402453 - } - ] - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "112-07-2", - "name": "2-butoxyethyl acetate", - "iupac_name": "2-butoxyethyl acetate", - "smiles": "CCCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 631.3615778605844 - } - ] - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 252.44143518392508 - } - ] - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 946.7612546492303 - } - ] - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.53446, - "epsilon_k_ab": 503.78017679433196 - } - ] - }, - { - "id1": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.19141, - "epsilon_k_ab": 1450.6729199565339 - } - ] - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.103, - "epsilon_k_ab": 735.0590887626355 - } - ] - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.103, - "epsilon_k_ab": 589.8473075127971 - } - ] - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.103, - "epsilon_k_ab": 774.9959265711989 - } - ] - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "association_sites": [ - { - "kappa_ab": 0.06873, - "epsilon_k_ab": 3056.323704965969 - } - ] - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.02702, - "epsilon_k_ab": 2054.1489275533795 - } - ] - }, - { - "id1": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00207, - "epsilon_k_ab": 1974.1465541498017 - } - ] - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1739.4083295717871 - } - ] - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1959.30605826901 - } - ] - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 870.2073952238015 - } - ] - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 2085.9272813192238 - } - ] - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1976.2635661007444 - } - ] - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "smiles": "CCCCCCC(C)=O", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1947.5622835836466 - } - ] - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1447.379257785642 - } - ] - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01854, - "epsilon_k_ab": 2484.5533524586813 - } - ] - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01854, - "epsilon_k_ab": 2183.3297320737547 - } - ] - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "3852-09-3", - "name": "propionic acid,beta-methoxy,methyl ester", - "iupac_name": "methyl 3-methoxypropanoate", - "smiles": "COCCC(=O)OC", - "inchi": "InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01854, - "epsilon_k_ab": 2544.5552559964785 - } - ] - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "2998-08-5", - "name": "sec-butylacrylate", - "iupac_name": "butan-2-yl prop-2-enoate", - "smiles": "C=CC(=O)OC(C)CC", - "inchi": "InChI=1S/C7H12O2/c1-4-6(3)9-7(8)5-2/h5-6H,2,4H2,1,3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.01854, - "epsilon_k_ab": 2385.245901848992 - } - ] - }, - { - "id1": { - "cas": "311-89-7", - "name": "perfluorotributylamine", - "iupac_name": "1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 624.7746032417635 - } - ] - }, - { - "id1": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "association_sites": [ - { - "kappa_ab": 0.09951, - "epsilon_k_ab": 1974.565758266584 - } - ] - }, - { - "id1": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00239, - "epsilon_k_ab": 1971.881289896217 - } - ] - }, - { - "id1": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00298, - "epsilon_k_ab": 2469.1363609772825 - } - ] - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "95-15-8", - "name": "benzo(b)thiophene", - "iupac_name": "1-benzothiophene", - "smiles": "c1ccc2sccc2c1", - "inchi": "InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H" - }, - "association_sites": [ - { - "kappa_ab": 0.00239, - "epsilon_k_ab": 2251.4923677403385 - } - ] - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00239, - "epsilon_k_ab": 2153.7153188843813 - } - ] - }, - { - "id1": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "smiles": "Oc1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "id2": { - "cas": "260-94-6", - "name": "acridine", - "iupac_name": "acridine", - "smiles": "c1ccc2nc3ccccc3cc2c1", - "inchi": "InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H" - }, - "association_sites": [ - { - "kappa_ab": 0.02699, - "epsilon_k_ab": 2265.472787111703 - } - ] - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00131, - "epsilon_k_ab": 2190.1977220846825 - } - ] - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "599-64-4", - "name": "p-cumylphenol", - "iupac_name": "4-(2-phenylpropan-2-yl)phenol", - "smiles": "CC(C)(c1ccccc1)c1ccc(O)cc1", - "inchi": "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.02678, - "epsilon_k_ab": 2427.4730910950093 - } - ] - }, - { - "id1": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00207, - "epsilon_k_ab": 2259.2712733388676 - } - ] - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00175, - "epsilon_k_ab": 1825.9870967287684 - } - ] - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00144, - "epsilon_k_ab": 2315.306576334899 - } - ] - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-30-6", - "name": "2-methyl-1-pentanol", - "iupac_name": "2-methylpentan-1-ol", - "smiles": "CCCC(C)CO", - "inchi": "InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03599, - "epsilon_k_ab": 1695.216376039894 - } - ] - }, - { - "id1": { - "cas": "108-83-8", - "name": "diisobutyl ketone", - "iupac_name": "2,6-dimethylheptan-4-one", - "smiles": "CC(C)CC(=O)CC(C)C", - "inchi": "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.04893, - "epsilon_k_ab": 1279.2323202343175 - } - ] - }, - { - "id1": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "association_sites": [ - { - "kappa_ab": 0.03123, - "epsilon_k_ab": 1896.6720572518175 - } - ] - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "association_sites": [ - { - "kappa_ab": 0.06634, - "epsilon_k_ab": 1871.2394466570283 - } - ] - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "616-23-9", - "name": "2,3-dichloro-1-propanol", - "iupac_name": "2,3-dichloropropan-1-ol", - "smiles": "OCC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00207, - "epsilon_k_ab": 1137.2047614492774 - } - ] - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "96-24-2", - "name": "3-chloro-1,2-propanediol", - "iupac_name": "3-chloropropane-1,2-diol", - "smiles": "OCC(O)CCl", - "inchi": "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2" - }, - "association_sites": [ - { - "kappa_ab": 0.0807, - "epsilon_k_ab": 2562.438225459614 - } - ] - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "association_sites": [ - { - "kappa_ab": 0.06873, - "epsilon_k_ab": 2860.2675580923687 - } - ] - }, - { - "id1": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3" - }, - "id2": { - "cas": "830-13-7", - "name": "cyclododecanone", - "iupac_name": "cyclododecanone", - "smiles": "O=C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2" - }, - "association_sites": [ - { - "kappa_ab": 0.00233, - "epsilon_k_ab": 1960.2525752137262 - } - ] - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00079, - "epsilon_k_ab": 1087.1822341698069 - } - ] - }, - { - "id1": { - "cas": "920-66-1", - "name": "1,1,1,3,3,3-hexafluoro-2-propanol", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-ol", - "smiles": "OC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00131, - "epsilon_k_ab": 3734.59384093155 - } - ] - }, - { - "id1": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00144, - "epsilon_k_ab": 1991.092216782854 - } - ] - }, - { - "id1": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00144, - "epsilon_k_ab": 2189.6852685997633 - } - ] - }, - { - "id1": { - "cas": "629-11-8", - "name": "1,6-hexanediol", - "iupac_name": "hexane-1,6-diol", - "smiles": "OCCCCCCO", - "inchi": "InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.00608, - "epsilon_k_ab": 1927.3364239120647 - } - ] - }, - { - "id1": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.9, - "epsilon_k_ab": 282.8758690622784 - } - ] - }, - { - "id1": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "association_sites": [ - { - "kappa_ab": 0.06634, - "epsilon_k_ab": 1654.6221267928395 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2686.091322246198, - "kappa_ab": 0.023564700295144854 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 3142.865386543713, - "kappa_ab": 0.001663099515964093 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2873.0425088587835, - "kappa_ab": 0.0012755391017134677 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1564.5944199121352, - "kappa_ab": 0.05995169472166738 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2285.477495566378, - "kappa_ab": 0.010495136969091923 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2185.5876294755776, - "kappa_ab": 0.01248465458072429 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2246.510505972374, - "kappa_ab": 0.013001742190952717 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2482.608047230088, - "kappa_ab": 0.0012755391017134677 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2385.7677039434066, - "kappa_ab": 0.007873290290596429 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1735.9027679707865, - "kappa_ab": 0.040936658388295445 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2339.9177337144256, - "kappa_ab": 0.01777993532046728 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2342.4922044942978, - "kappa_ab": 0.010838330129683263 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1780.8333300131244, - "kappa_ab": 0.04023714328826041 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "6881-94-3", - "name": "diethylene glycol monopropyl ether", - "iupac_name": "2-(2-propoxyethoxy)ethanol", - "smiles": "CCCOCCOCCO", - "inchi": "InChI=1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1598.6523051524948, - "kappa_ab": 0.03273938912075178 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2294.2602491505927, - "kappa_ab": 0.012517192177161778 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2304.303538321157, - "kappa_ab": 0.008364269244829461 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "105-59-9", - "name": "methyldiethanolamine (mdea)", - "iupac_name": "2-[2-hydroxyethyl(methyl)amino]ethanol", - "smiles": "CN(CCO)CCO", - "inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2126.0683668874444, - "kappa_ab": 0.013396197221599867 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "542-59-6", - "name": "glycol monoacetate", - "iupac_name": "2-hydroxyethyl acetate", - "smiles": "CC(=O)OCCO", - "inchi": "InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2313.3793379039607, - "kappa_ab": 0.0012755391017134677 - } - ] - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "112-59-4", - "name": "diethylene glycol n-hexyl ether", - "iupac_name": "2-(2-hexoxyethoxy)ethanol", - "smiles": "CCCCCCOCCOCCO", - "inchi": "InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2863.504981733791, - "kappa_ab": 0.0068452611345367976 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2703.37746805074, - "kappa_ab": 0.04345587302080123 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 3508.5643598606725, - "kappa_ab": 0.0030669365823244536 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2210.765808341449, - "kappa_ab": 0.04405651370682887 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2322.496337232107, - "kappa_ab": 0.023023062350608355 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2235.105542237976, - "kappa_ab": 0.04617212254163761 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2392.3185335737817, - "kappa_ab": 0.017412880290176003 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2324.047279847392, - "kappa_ab": 0.13979271332941498 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2512.92771579042, - "kappa_ab": 0.22315241428225688 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "association_sites": [ - { - "epsilon_k_ab": 2886.076880885644, - "kappa_ab": 0.002352232981658067 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2202.5087530955534, - "kappa_ab": 0.10291120104245212 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1950.302234967326, - "kappa_ab": 0.07549165516797204 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2349.172133837249, - "kappa_ab": 0.03278813657407203 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2918.003960319053, - "kappa_ab": 0.002352232981658067 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2229.217732327053, - "kappa_ab": 0.01722117301463521 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1069.238592829211, - "kappa_ab": 0.22315241428225688 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2238.251007270622, - "kappa_ab": 0.06058541243566804 - } - ] - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2356.291322464374, - "kappa_ab": 0.08676201069592612 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2273.4513721272174, - "kappa_ab": 0.05968441337568796 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1855.831476949925, - "kappa_ab": 0.12014522587269125 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2255.332687673093, - "kappa_ab": 0.1917889465010953 - } - ] - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2156.014494952579, - "kappa_ab": 0.01849545619875325 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2525.475568820128, - "kappa_ab": 0.462228543796248 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2196.508109427806, - "kappa_ab": 0.10590279599708405 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2191.668848100679, - "kappa_ab": 0.03538651014157796 - } - ] - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2717.010088906455, - "kappa_ab": 0.031207968533693443 - } - ] - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1371.1720741111649, - "kappa_ab": 0.0184533330322736 - } - ] - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2381.3534745907536, - "kappa_ab": 0.0020085069081285235 - } - ] - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2379.56990353846, - "kappa_ab": 0.0015404544783926594 - } - ] - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "association_sites": [ - { - "epsilon_k_ab": 1253.7520926817454, - "kappa_ab": 0.08492781346531889 - } - ] - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1552.5954907746927, - "kappa_ab": 0.006370109889162039 - } - ] - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2016.613098496339, - "kappa_ab": 0.013089331533733876 - } - ] - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1422.1513322929377, - "kappa_ab": 0.04181135132951338 - } - ] - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "106-47-8", - "name": "p-chloroaniline", - "iupac_name": "4-chloroaniline", - "smiles": "Nc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1827.9257227165765, - "kappa_ab": 0.0496805525331593 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2381.693152407687, - "kappa_ab": 0.023283796941220732 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2350.8190408027704, - "kappa_ab": 0.0064891756024937405 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2271.6340975991984, - "kappa_ab": 0.007719300486443056 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2794.9310382115827, - "kappa_ab": 0.0017984437717093074 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1898.915622413412, - "kappa_ab": 0.046870478981977555 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1912.425703681772, - "kappa_ab": 0.005576737397439474 - } - ] - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1795.9040695105032, - "kappa_ab": 0.009328333184444046 - } - ] - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2381.54939959871, - "kappa_ab": 0.05929072440103932 - } - ] - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2769.139646273364, - "kappa_ab": 0.018129310521914504 - } - ] - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "association_sites": [ - { - "epsilon_k_ab": 2770.6986407525333, - "kappa_ab": 0.0012989226304903616 - } - ] - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2586.781826717357, - "kappa_ab": 0.0019483839457355421 - } - ] - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2334.463544989539, - "kappa_ab": 0.005942979050947429 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1434.417641676442, - "kappa_ab": 0.056303272551424574 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2243.340546999603, - "kappa_ab": 0.009856444592245217 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2218.4329711040746, - "kappa_ab": 0.012210507769949619 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2058.20255424553, - "kappa_ab": 0.02351394267238057 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2211.361126649137, - "kappa_ab": 0.008867806944222454 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1817.478425904663, - "kappa_ab": 0.07119182888506237 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2134.892446720881, - "kappa_ab": 0.11364418154925486 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2345.307076491541, - "kappa_ab": 0.007557314337778997 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2154.245916284607, - "kappa_ab": 0.06604303521189801 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2673.6546625143696, - "kappa_ab": 0.016311008552508333 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1565.053539861633, - "kappa_ab": 0.012321647617100565 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1839.1911869859305, - "kappa_ab": 0.008470537173048708 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1438.8232636407265, - "kappa_ab": 0.005235312789127313 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 648.0625939769227, - "kappa_ab": 0.002859982517429084 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2005.0882878555385, - "kappa_ab": 0.023650856221287212 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "138-22-7", - "name": "n-butyl lactate", - "iupac_name": "butyl 2-hydroxypropanoate", - "smiles": "CCCCOC(=O)C(C)O", - "inchi": "InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1942.628449746532, - "kappa_ab": 0.004700957349306628 - } - ] - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1940.503031632508, - "kappa_ab": 0.009590802886098744 - } - ] - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 3582.498688945044, - "kappa_ab": 0.003849311626771727 - } - ] - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2179.1929176355657, - "kappa_ab": 0.0012761661333854618 - } - ] - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "association_sites": [ - { - "epsilon_k_ab": 2444.971291795751, - "kappa_ab": 0.0003594440151122286 - } - ] - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 331.4841360822883, - "kappa_ab": 0.06651129904008792 - } - ] - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2066.922521604893, - "kappa_ab": 0.032300235293260635 - } - ] - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1719.7364656234618, - "kappa_ab": 0.06502064518289556 - } - ] - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 390.39218727624126, - "kappa_ab": 0.02320367643284141 - } - ] - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1270.9922109132938, - "kappa_ab": 0.006159943181556142 - } - ] - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2873.7440857825154, - "kappa_ab": 0.0004888762624632127 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 850.1770517787719, - "kappa_ab": 0.11386182679019338 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2219.053778038306, - "kappa_ab": 0.05529532349123206 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1425.1096008501568, - "kappa_ab": 0.08803137395269939 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2059.2906602188496, - "kappa_ab": 0.015410762473025143 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2056.7463713686675, - "kappa_ab": 0.019091390729855173 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1979.6495188912968, - "kappa_ab": 0.11130995103763186 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "association_sites": [ - { - "epsilon_k_ab": 2462.229622342955, - "kappa_ab": 0.001872965562950905 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1224.5194030770103, - "kappa_ab": 0.012167070312938937 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1355.0072935778212, - "kappa_ab": 0.013243866504914643 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "102-71-6", - "name": "triethanolamine (tea)", - "iupac_name": "2-[bis(2-hydroxyethyl)amino]ethanol", - "smiles": "OCCN(CCO)CCO", - "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1872.3291601569435, - "kappa_ab": 0.09810478479666525 - } - ] - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1939.0296820520805, - "kappa_ab": 0.06908425290903854 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2854.9857718670773, - "kappa_ab": 0.002952287248897031 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "association_sites": [ - { - "epsilon_k_ab": 2820.767655830899, - "kappa_ab": 0.0081388942737942 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 926.3318642456484, - "kappa_ab": 0.03175596321952776 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2419.329922675874, - "kappa_ab": 0.021854903339983 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2109.240519976282, - "kappa_ab": 0.03128588819260211 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2659.136363274797, - "kappa_ab": 0.006400406237107141 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2434.8635853377914, - "kappa_ab": 0.018625165771074363 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1991.2198140191424, - "kappa_ab": 0.09474956464279928 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2384.5814341555297, - "kappa_ab": 0.04115238510706275 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2408.7033500600387, - "kappa_ab": 0.05217285501101124 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1969.1692783685648, - "kappa_ab": 0.07162567696015167 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "629-11-8", - "name": "1,6-hexanediol", - "iupac_name": "hexane-1,6-diol", - "smiles": "OCCCCCCO", - "inchi": "InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2265.1628012561227, - "kappa_ab": 0.023020269329440957 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2235.152401284252, - "kappa_ab": 0.0760407417112695 - } - ] - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "124-68-5", - "name": "2-amino-2-methyl-1-propanol (amp)", - "iupac_name": "2-amino-2-methylpropan-1-ol", - "smiles": "CC(C)(N)CO", - "inchi": "InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2141.88277478188, - "kappa_ab": 0.04512269495497803 - } - ] - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1609.8965476207816, - "kappa_ab": 0.03867247987910783 - } - ] - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1444.499314094068, - "kappa_ab": 0.09225867059523457 - } - ] - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1548.3619239164088, - "kappa_ab": 0.27932633764111825 - } - ] - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2500.384110491462, - "kappa_ab": 0.005942979050947429 - } - ] - }, - { - "id1": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2092.765128041005, - "kappa_ab": 0.12923759166744017 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2357.715831600653, - "kappa_ab": 0.008386912423532273 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2279.3136704029466, - "kappa_ab": 0.006090944097592753 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1814.32661052397, - "kappa_ab": 0.048898837409492676 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2438.2862236186006, - "kappa_ab": 0.005078749846172776 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2505.7839248130667, - "kappa_ab": 0.0031223068395018452 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "626-89-1", - "name": "4-methyl-1-pentanol", - "iupac_name": "4-methylpentan-1-ol", - "smiles": "CC(C)CCCO", - "inchi": "InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2363.068852432809, - "kappa_ab": 0.0015611534197509226 - } - ] - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2161.0340801617094, - "kappa_ab": 0.006587541271217965 - } - ] - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "association_sites": [ - { - "epsilon_k_ab": 1933.76522053354, - "kappa_ab": 0.002698295758437166 - } - ] - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2264.6285288988915, - "kappa_ab": 0.007245577961763989 - } - ] - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2536.633582552518, - "kappa_ab": 0.025659957131686718 - } - ] - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 866.2214433695999, - "kappa_ab": 0.09285472524325296 - } - ] - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2661.821413698364, - "kappa_ab": 0.0044761143863846905 - } - ] - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 3017.071741949359, - "kappa_ab": 0.0016880758276807352 - } - ] - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2122.1928175010034, - "kappa_ab": 0.001551644289133305 - } - ] - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2619.2142027056902, - "kappa_ab": 0.0009539392014169456 - } - ] - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "association_sites": [ - { - "epsilon_k_ab": 2530.960553483707, - "kappa_ab": 0.0035334402499547094 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1807.3362950570988, - "kappa_ab": 0.060577587439580326 - } - ] - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2481.442480554745, - "kappa_ab": 0.008661166203231525 - } - ] - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 3457.400465159479, - "kappa_ab": 0.00027568097504180445 - } - ] - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2085.770232786964, - "kappa_ab": 0.008847598544237866 - } - ] - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "association_sites": [ - { - "epsilon_k_ab": 3215.424079916317, - "kappa_ab": 0.003842759425204758 - } - ] - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2106.0759205688937, - "kappa_ab": 0.004871837435711499 - } - ] - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1209.7029764310987, - "kappa_ab": 0.026153393661244043 - } - ] - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "association_sites": [ - { - "epsilon_k_ab": 2418.8523420773704, - "kappa_ab": 0.00427172096466986 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1840.494815493812, - "kappa_ab": 0.11665509290211036 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2182.7750272068906, - "kappa_ab": 0.012116076097483046 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1719.0732415390544, - "kappa_ab": 0.06299674594770749 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2476.6169570065445, - "kappa_ab": 0.026727255751386077 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1642.6757099103932, - "kappa_ab": 0.013879841497654071 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2183.101209356342, - "kappa_ab": 0.01441099233224416 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1669.9349832335488, - "kappa_ab": 0.015393488883290883 - } - ] - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1078.8977849948192, - "kappa_ab": 0.00857859545613383 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2130.1380773656942, - "kappa_ab": 0.0439941041504427 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2232.7203288031305, - "kappa_ab": 0.004670160596810349 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1449.5184767968535, - "kappa_ab": 0.05411876569176352 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": -1207.91814244347, - "kappa_ab": 0.0007402702209328699 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 820.3660347574969, - "kappa_ab": 0.07022819946431774 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "102-71-6", - "name": "triethanolamine (tea)", - "iupac_name": "2-[bis(2-hydroxyethyl)amino]ethanol", - "smiles": "OCCN(CCO)CCO", - "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2099.1367104111023, - "kappa_ab": 0.03877489909722525 - } - ] - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "57018-52-7", - "name": "1-tert-butoxy-2-propanol", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]propan-2-ol", - "smiles": "CC(O)COC(C)(C)C", - "inchi": "InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1630.7081107976223, - "kappa_ab": 0.0038961006147172324 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1872.387475630615, - "kappa_ab": 0.0374926152728774 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "association_sites": [ - { - "epsilon_k_ab": 1703.466054593897, - "kappa_ab": 0.3276463039620621 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1387.5102492485796, - "kappa_ab": 0.4344720099154835 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1745.1362793438625, - "kappa_ab": 0.12604160503579762 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2895.3222065114705, - "kappa_ab": 0.005942979050947429 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": -3224.195104469769, - "kappa_ab": 0.18747249638280278 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1746.7721849398288, - "kappa_ab": 0.0959565698636628 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2599.863008261092, - "kappa_ab": 0.005942979050947429 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "124-09-4", - "name": "1,6-hexanediamine", - "iupac_name": "hexane-1,6-diamine", - "smiles": "NCCCCCCN", - "inchi": "InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1891.6228190016643, - "kappa_ab": 0.057680584255016 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1672.6621238012017, - "kappa_ab": 0.042023207873745194 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1734.1285624124062, - "kappa_ab": 0.054370950883720987 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2512.314563290125, - "kappa_ab": 0.5638004966297919 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1463.3592334605637, - "kappa_ab": 0.04363134309186459 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1986.9404990497155, - "kappa_ab": 0.022552019865191675 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "626-93-7", - "name": "2-hexanol", - "iupac_name": "hexan-2-ol", - "smiles": "CCCCC(C)O", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 739.3598390339871, - "kappa_ab": 0.038560730024209865 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1272.1650040784996, - "kappa_ab": 0.07029315827304959 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-43-6", - "name": "dichloroacetic acid", - "iupac_name": "2,2-dichloroacetic acid", - "smiles": "O=C(O)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" - }, - "association_sites": [ - { - "epsilon_k_ab": 3784.5887922843353, - "kappa_ab": 0.054110489740899596 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "76-03-9", - "name": "trichloroacetic acid", - "iupac_name": "2,2,2-trichloroacetic acid", - "smiles": "O=C(O)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "association_sites": [ - { - "epsilon_k_ab": 1845.399849880904, - "kappa_ab": 0.10699012991860511 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": -3944.783125775492, - "kappa_ab": 0.5638004966297919 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "association_sites": [ - { - "epsilon_k_ab": 8593.995565612564, - "kappa_ab": 0.09208741444953268 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "13952-84-6", - "name": "sec-butylamine", - "iupac_name": "butan-2-amine", - "smiles": "CCC(C)N", - "inchi": "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2436.351008176231, - "kappa_ab": 0.008814862449295508 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1704-62-7", - "name": "2-(2-dimethylaminoethoxy) ethanol", - "iupac_name": "2-[2-(dimethylamino)ethoxy]ethanol", - "smiles": "CN(C)CCOCCO", - "inchi": "InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2150.0797053785827, - "kappa_ab": 0.0772815818937475 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "102-71-6", - "name": "triethanolamine (tea)", - "iupac_name": "2-[bis(2-hydroxyethyl)amino]ethanol", - "smiles": "OCCN(CCO)CCO", - "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1794.379550321814, - "kappa_ab": 0.3112895892894589 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "116-09-6", - "name": "1-hydroxy-2-propanone", - "iupac_name": "1-hydroxypropan-2-one", - "smiles": "CC(=O)CO", - "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 3246.6562279459063, - "kappa_ab": 0.04802427198823528 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-83-1", - "name": "n-methylethanolamine", - "iupac_name": "2-(methylamino)ethanol", - "smiles": "CNCCO", - "inchi": "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1792.518587454957, - "kappa_ab": 0.18147020581902695 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "60-34-4", - "name": "methylhydrazine", - "iupac_name": "methylhydrazine", - "smiles": "CNN", - "inchi": "InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2748.9687211296, - "kappa_ab": 0.005942979050947429 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-76-2", - "name": "1,3-diaminopropane", - "iupac_name": "propane-1,3-diamine", - "smiles": "NCCCN", - "inchi": "InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1797.0819998800462, - "kappa_ab": 0.07203027904985514 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "105-59-9", - "name": "methyldiethanolamine (mdea)", - "iupac_name": "2-[2-hydroxyethyl(methyl)amino]ethanol", - "smiles": "CN(CCO)CCO", - "inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 12297.044330704057, - "kappa_ab": 0.062415428381130254 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "542-59-6", - "name": "glycol monoacetate", - "iupac_name": "2-hydroxyethyl acetate", - "smiles": "CC(=O)OCCO", - "inchi": "InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2513.723512086044, - "kappa_ab": 0.005942979050947429 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-76-2", - "name": "levulinic acid", - "iupac_name": "4-oxopentanoic acid", - "smiles": "CC(=O)CCC(=O)O", - "inchi": "InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2254.1211858550814, - "kappa_ab": 0.012466098026247027 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1432.367974936352, - "kappa_ab": 0.09978189264591046 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "5131-66-8", - "name": "1,2-propylene glycol 1-monobutylether", - "iupac_name": "1-butoxypropan-2-ol", - "smiles": "CCCCOCC(C)O", - "inchi": "InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": -2537.76384438708, - "kappa_ab": 0.012466098026247027 - } - ] - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "6291-84-5", - "name": "n-methylpropane-1,3-diamine", - "iupac_name": "n'-methylpropane-1,3-diamine", - "smiles": "CNCCCN", - "inchi": "InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2116.081724074366, - "kappa_ab": 0.015267789623910856 - } - ] - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 613.2837140552468, - "kappa_ab": 0.009096405883644375 - } - ] - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2849.5478518036134, - "kappa_ab": 0.0017446489618258452 - } - ] - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2338.4886351390687, - "kappa_ab": 0.07630858405186143 - } - ] - }, - { - "id1": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2287.40029140063, - "kappa_ab": 0.006949028709107482 - } - ] - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2168.5751078927174, - "kappa_ab": 0.0012012077255828817 - } - ] - }, - { - "id1": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2467.260138493619, - "kappa_ab": 0.0023939924811912003 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "association_sites": [ - { - "epsilon_k_ab": 1985.6373003319352, - "kappa_ab": 0.031909755561583354 - } - ] - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "503-74-2", - "name": "3-methylbutanoic acid", - "iupac_name": "3-methylbutanoic acid", - "smiles": "CC(C)CC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2076.3128137316758, - "kappa_ab": 0.102817221320166 - } - ] - }, - { - "id1": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "id2": { - "cas": "57-11-4", - "name": "stearic acid", - "iupac_name": "octadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" - }, - "association_sites": [ - { - "epsilon_k_ab": 3620.659055413296, - "kappa_ab": 0.002394953026679229 - } - ] - }, - { - "id1": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "id2": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "association_sites": [ - { - "epsilon_k_ab": 3985.712354939514, - "kappa_ab": 0.0023492339176846566 - } - ] - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2602.856121010659, - "kappa_ab": 0.0025524693925686945 - } - ] - }, - { - "id1": { - "cas": "57-11-4", - "name": "stearic acid", - "iupac_name": "octadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" - }, - "id2": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "association_sites": [ - { - "epsilon_k_ab": 4376.827812333881, - "kappa_ab": 0.002334566340886461 - } - ] - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2062.0549085796843, - "kappa_ab": 0.019471340477738044 - } - ] - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2660.8980579146832, - "kappa_ab": 0.0023423065555131764 - } - ] - }, - { - "id1": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "id2": { - "cas": "124-07-2", - "name": "caprylic acid", - "iupac_name": "octanoic acid", - "smiles": "CCCCCCCC(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" - }, - "association_sites": [ - { - "epsilon_k_ab": 2782.893825262826, - "kappa_ab": 0.005819664938808762 - } - ] - }, - { - "id1": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "association_sites": [ - { - "epsilon_k_ab": 3132.8758129429243, - "kappa_ab": 0.0005787918451395113 - } - ] - }, - { - "id1": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "id2": { - "cas": "111-14-8", - "name": "heptanoic acid", - "iupac_name": "heptanoic acid", - "smiles": "CCCCCCC(=O)O", - "inchi": "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)" - }, - "association_sites": [ - { - "epsilon_k_ab": 3384.018293388662, - "kappa_ab": 0.0005787918451395113 - } - ] - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1837.402868523707, - "kappa_ab": 0.02104518947408172 - } - ] - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1688.7829439651678, - "kappa_ab": 0.05354922968633629 - } - ] - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2279.2093620203764, - "kappa_ab": 0.0032093613071762423 - } - ] - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "112-59-4", - "name": "diethylene glycol n-hexyl ether", - "iupac_name": "2-(2-hexoxyethoxy)ethanol", - "smiles": "CCCCCCOCCOCCO", - "inchi": "InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2496.733173990596, - "kappa_ab": 0.01722324011328879 - } - ] - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1504.2518112253051, - "kappa_ab": 0.07099147836184283 - } - ] - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 2218.910866587451, - "kappa_ab": 0.00874 - } - ] - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2563.556597112881, - "kappa_ab": 0.004638491133978807 - } - ] - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1987.833691446436, - "kappa_ab": 0.010050263678133027 - } - ] - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 3198.134297524699, - "kappa_ab": 0.006194981840167087 - } - ] - }, - { - "id1": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "id2": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "association_sites": [ - { - "epsilon_k_ab": 3810.75507043412, - "kappa_ab": 0.0024911643863864143 - } - ] - }, - { - "id1": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "id2": { - "cas": "60-33-3", - "name": "linoleic acid", - "iupac_name": "(9z,12z)-octadeca-9,12-dienoic acid", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-" - }, - "association_sites": [ - { - "epsilon_k_ab": 3492.904470528803, - "kappa_ab": 0.0015799050604387594 - } - ] - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1937.87467163345, - "kappa_ab": 0.18149632062386278 - } - ] - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "929-06-6", - "name": "diglycolamine (dga)", - "iupac_name": "2-(2-aminoethoxy)ethanol", - "smiles": "NCCOCCO", - "inchi": "InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1934.249811979215, - "kappa_ab": 0.046433394233030174 - } - ] - }, - { - "id1": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "id2": { - "cas": "102-71-6", - "name": "triethanolamine (tea)", - "iupac_name": "2-[bis(2-hydroxyethyl)amino]ethanol", - "smiles": "OCCN(CCO)CCO", - "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" - }, - "association_sites": [ - { - "epsilon_k_ab": 1735.184926747674, - "kappa_ab": 0.03834800646709031 - } - ] - }, - { - "id1": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1848.5132001488505, - "kappa_ab": 0.021707047242773485 - } - ] - }, - { - "id1": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2629.191211453204, - "kappa_ab": 0.002785964823898536 - } - ] - }, - { - "id1": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" - }, - "id2": { - "cas": "112-92-5", - "name": "1-octadecanol", - "iupac_name": "octadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 3039.0344508829207, - "kappa_ab": 0.001383473888441701 - } - ] - }, - { - "id1": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "id2": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2265.052065751096, - "kappa_ab": 0.010941297912039504 - } - ] - }, - { - "id1": { - "cas": "149-57-5", - "name": "2-ethyl hexanoic acid", - "iupac_name": "2-ethylhexanoic acid", - "smiles": "CCCCC(CC)C(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 1839.3350979375596, - "kappa_ab": 0.0009909591313469997 - } - ] - }, - { - "id1": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "id2": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2691.9923962718995, - "kappa_ab": 0.0033408382181722 - } - ] - }, - { - "id1": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "id2": { - "cas": "24800-25-7", - "name": "tetrapropylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)COC(C)CO", - "inchi": "InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3" - }, - "association_sites": [ - { - "epsilon_k_ab": 2588.5673856904145, - "kappa_ab": 0.005680756991810159 - } - ] - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "k_ij": -0.0047396817781802 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "k_ij": -0.0031209441610868 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": -0.1489635762249906 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0074796124636563 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "k_ij": -0.0050901934709135 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0379499135264164 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.094146771790279 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0004508383764894 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0015140118492983 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.0272313480049679 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0545744823038085 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": -0.0549069732782016 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": -0.00908838089796 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "k_ij": 0.0318948343293239 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": -0.0055368617501635 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": -0.0196970984117714 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0731048441807234 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": -0.0113642482238271 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": -0.024180948156429 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": 0.007426677387099 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": -0.006027654289102 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": 0.0172296774149397 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "k_ij": -0.0609862194492458 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "542-10-9", - "name": "1,1-ethanediol diacetate", - "iupac_name": "1-acetyloxyethyl acetate", - "smiles": "CC(=O)OC(C)OC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3" - }, - "k_ij": -0.0193829701007464 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0168055340807048 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": -0.0305499523796333 - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "111-34-2", - "name": "butyl vinyl ether", - "iupac_name": "1-ethenoxybutane", - "smiles": "C=COCCCC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3" - }, - "k_ij": -0.0105128769378307 - }, - { - "id1": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "smiles": "CC(=N)O", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0785368306589695 - }, - { - "id1": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "smiles": "CC(=N)O", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0493822929432623 - }, - { - "id1": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "smiles": "CC(=N)O", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0553509236834142 - }, - { - "id1": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "smiles": "CC(=N)O", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0743693599280208 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "k_ij": -0.028130737122414 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "k_ij": -0.1737591248982175 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": -0.1259855018060474 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0495398872644424 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "k_ij": -0.1357322972959583 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.0579766361971184 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "k_ij": -0.1535915120302881 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.1294212495454511 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "k_ij": -0.041313974762384 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0721434388773096 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0993123564323969 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": -0.0562558465788071 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0262707178888793 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0247600561107456 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": -0.0626940102935854 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "k_ij": -0.0365028387018074 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0985115590428584 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0181989194986215 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0101370125689732 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": -0.0109697001729079 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0864705731591901 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0270439802358256 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "k_ij": 0.00363288282163 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0050404555296642 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": -0.0687099246383701 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.053110506838196 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": -0.0616486169480122 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0382585841604793 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": -0.0981926451241045 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0707526229573235 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.0684346783468696 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0882586782772489 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0129143185072413 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0009181296434485 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "k_ij": -0.0087981195922753 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": -0.1060771915481881 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": -0.0121740001053096 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": -0.0329534526386073 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": -0.1474066573140803 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.1399885312535908 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": -0.1352928975714422 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.1147968594416153 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0096682136316601 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0251621035023883 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0034345669555857 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.1006491510412745 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0845204125099649 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0369996176063479 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": 0.0083404185639461 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.1018833068836565 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.0181161059116434 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0410509628140918 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0664241356616724 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": -0.0304045637425558 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -0.014304672333365 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0195319954591936 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0323012967804126 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": -0.0607716436772512 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.1045085369400023 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0672856735166875 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0645661260393405 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "k_ij": -0.0224626397367044 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0955555531237937 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": -0.0599106701757101 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": -0.0169009102347297 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": 0.0104966590798798 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "k_ij": -0.0033435147853578 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "k_ij": -0.1540191732487185 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": -0.0068080813653957 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0647552684318999 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.1103400266877139 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": -0.0222555195380845 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": -0.0671963814647797 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": -0.0181738404777065 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.1436358597740568 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0651387420402479 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": -0.083781511985129 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0984832352881147 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": -0.0804468531716016 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0088634108666989 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -1.272150623374261e-05 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "k_ij": -0.0217372495561605 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "k_ij": -0.0550626750475185 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0489139569283334 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "k_ij": -0.0915541889927217 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0013718600840415 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0729713786949102 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": -0.1028918956313076 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0314652933263471 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-70-7", - "name": "hexanoic acid methyl ester", - "iupac_name": "methyl hexanoate", - "smiles": "CCCCCC(=O)OC", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0910989155315018 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": -0.0180450248343592 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": -0.0179568613039929 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0202747519782041 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "k_ij": -0.0242654438927273 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": -0.0662275205374421 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": -0.0595795805846917 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "k_ij": -0.0585897059006297 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0385373869825658 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": -0.0028498351122652 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0585853142497863 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "k_ij": -0.0482956519800149 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": -0.0045877646298291 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0475781653561294 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "628-41-1", - "name": "1,4-cyclohexadiene", - "iupac_name": "cyclohexa-1,4-diene", - "smiles": "C1=CCC=CC1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2" - }, - "k_ij": -0.0294815079618161 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "624-24-8", - "name": "methyl valerate", - "iupac_name": "methyl pentanoate", - "smiles": "CCCCC(=O)OC", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0847015272304699 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.1055360870294816 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.045735952683754 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0917098200626907 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "k_ij": -0.0859888965322727 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-98-9", - "name": "pivalic acid", - "iupac_name": "2,2-dimethylpropanoic acid", - "smiles": "CC(C)(C)C(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)" - }, - "k_ij": -0.0613220229551931 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0843910453538709 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0429345843586812 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": -0.1589189752940732 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "k_ij": -0.0604448718236034 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "k_ij": -0.0275679992361422 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "k_ij": -0.0387465691099224 - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "k_ij": -0.0749866686080991 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-96-4", - "name": "ethyl bromide", - "iupac_name": "bromoethane", - "smiles": "CCBr", - "inchi": "InChI=1S/C2H5Br/c1-2-3/h2H2,1H3" - }, - "k_ij": 0.012272656079657 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0034368521321907 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "k_ij": -0.0835145556973127 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.0090203506283719 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "k_ij": -0.0626943145946061 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0024564868465697 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0091066543826652 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0484374561599695 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0101621137324655 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0068259427611578 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": -0.0100245025251731 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.048614785563208 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": 0.0023950134788558 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0322077576589451 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "k_ij": -0.025018214862754 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0155407006919157 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0582730137502529 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0513118471295929 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0607146995948177 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0210954777699177 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0313850400681242 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": -0.011778300999899 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "k_ij": -0.0300143753697132 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0161699783563671 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "k_ij": -0.0280464265901905 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": -0.0373773023320584 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0010995561656013 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "k_ij": -0.0123339156972549 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": -0.0204876560345675 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0321888567681189 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0056870331852688 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.0063203216975294 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0554398987094738 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": -0.000150301201889 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.038454601563984 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0382624424926615 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0381826449756012 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0098666133797534 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0448306598017063 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.003152758924961 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "k_ij": 0.0208706125537374 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0248101280407107 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0410290034342081 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": -0.0885947615950033 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "k_ij": -0.0924566781015495 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0005859721757629 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0493094639533299 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "k_ij": -0.0027816395139954 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0221444119175206 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.044461104876999 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.0982943240429156 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0358669797216786 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.1269092765590445 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0406470332176134 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": -0.0034231891625151 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.0022624672509506 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0474365151530405 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": 0.0009214141108434 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0411398916527233 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "k_ij": 0.0379824644511487 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0161494836238417 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0042246730239231 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0006282949010203 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0201533602760918 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0376971319375702 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0120546918815428 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0030148405996346 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": -0.0055850691238935 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0142937364313404 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0573101818935819 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0002156075100951 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": -0.0262625354651627 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": 0.0077442617464329 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": -0.0352878412382655 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0212188763458479 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "k_ij": -0.003329768393204 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-94-4", - "name": "methyl vinyl ketone", - "iupac_name": "but-3-en-2-one", - "smiles": "C=CC(C)=O", - "inchi": "InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0056332036611757 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": -0.0561585604516141 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": -0.0046468712069342 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 1.2819883181372511e-05 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0076914354217652 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "k_ij": -0.0105484718407923 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": -0.0571352441782775 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "k_ij": -0.0121204613111697 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "k_ij": -0.0089828931274151 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": -1.2840743497071585e-05 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0231192667247859 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "k_ij": 0.0210743382430446 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0677321148878543 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0048800927562491 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0016177740763893 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0239020722792494 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": -0.0242723168315154 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": 0.011098134805994 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0287531467043239 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0946441832992543 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0077031610142356 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": 0.0155751371584587 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0039183071840258 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0135907172465951 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0416178341683004 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0184596592685411 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0061063304264255 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": -0.0258420222049528 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "k_ij": 0.0208851979329283 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "k_ij": 0.0705550465353534 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0421055606316837 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": 2.776227516297464e-05 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0150576737284302 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0104086499975869 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.0169824861338467 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0250607879388461 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0115789577207987 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": 0.0016481421899917 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0145520501869823 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": -0.0011223216581276 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0414370194554739 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": 0.003323185036782 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "k_ij": -0.010672510699806 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": -0.012933025207412 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "k_ij": -0.0262909676823136 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": -0.0227330758807973 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0035814157765179 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": -0.0111411232823518 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "k_ij": -0.0291480491674617 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "k_ij": -0.1753668156618763 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "k_ij": 0.020866632610466 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": -0.0052303230125789 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "k_ij": -0.1134346923559948 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "88-75-5", - "name": "o-nitrophenol", - "iupac_name": "2-nitrophenol", - "smiles": "O=[N+]([O-])c1ccccc1O", - "inchi": "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H" - }, - "k_ij": -0.0439796670418796 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "k_ij": -0.0645207704363767 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0047345108264609 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "77-76-9", - "name": "2,2-dimethoxypropane", - "iupac_name": "2,2-dimethoxypropane", - "smiles": "COC(C)(C)OC", - "inchi": "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3" - }, - "k_ij": -0.0109850194297107 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "k_ij": -0.01192723665576 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "105-57-7", - "name": "1,1-diethoxyethane", - "iupac_name": "1,1-diethoxyethane", - "smiles": "CCOC(C)OCC", - "inchi": "InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": -0.0047589537131354 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.004847947898652 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": -0.0041662714078008 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0176661506975047 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0408587853224324 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0004539966089404 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": -0.0664954435682299 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "3710-30-3", - "name": "1,7-octadiene", - "iupac_name": "octa-1,7-diene", - "smiles": "C=CCCCCC=C", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2" - }, - "k_ij": 0.0316786938145038 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": 0.0024601072872904 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "111-25-1", - "name": "1-bromohexane", - "iupac_name": "1-bromohexane", - "smiles": "CCCCCCBr", - "inchi": "InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0114374523650511 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": -0.0047523963159636 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0158326388573759 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0179136015464818 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.0932265472348847 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0063297392963113 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0295956386870521 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0309221980559051 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-86-5", - "name": "2-hydroxy-2-methylpropionitrile", - "iupac_name": "2-hydroxy-2-methylpropanenitrile", - "smiles": "CC(C)(O)C#N", - "inchi": "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3" - }, - "k_ij": -0.0620719517069288 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "k_ij": -0.1456364504136064 - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "616-47-7", - "name": "n-methylimidazole", - "iupac_name": "1-methylimidazole", - "smiles": "Cn1ccnc1", - "inchi": "InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3" - }, - "k_ij": -0.0313041934560577 - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": -0.1351256139443519 - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": 0.0513480702069324 - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0161473419313805 - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": -0.0759746651548184 - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": -0.1793514325316589 - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0367575198528999 - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0662309543634573 - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0716449384924922 - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "111-41-1", - "name": "n-(2-aminoethyl)ethanolamine", - "iupac_name": "2-(2-aminoethylamino)ethanol", - "smiles": "NCCNCCO", - "inchi": "InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2" - }, - "k_ij": 0.014825985237108 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0180661458747403 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0046637093264571 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": 0.0034905000830457 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0209096537433605 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": 0.0045789336330706 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0305558512133867 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0035430669295651 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": 0.0013196071616604 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0187763919791795 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0364425297307804 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0156443373280381 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0069506938644255 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0082784899689936 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0053938485638321 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0103971796997633 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0017083576968382 - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0064164180217349 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": 0.0378434717754821 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "k_ij": -0.0033409984919248 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "k_ij": 0.0121494708798426 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.006794349687811 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.2061228933409588 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.01353464081625 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.045520794061554 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "k_ij": -0.0289069952116886 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": -0.0596158798588989 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.072334674793213 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0250657046273462 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": -0.0722924860164297 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.1912114239021224 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0300977690377729 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0039520197908816 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0769999567614106 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "k_ij": -0.1162171950977801 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "k_ij": -0.0046318311529017 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.1360939566250675 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0020287360691516 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": -0.0174055912683637 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "112-34-5", - "name": "diethylene glycol monobutyl ether", - "iupac_name": "2-(2-butoxyethoxy)ethanol", - "smiles": "CCCCOCCOCCO", - "inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.017860469882484 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "111-77-3", - "name": "diethylene glycol monomethyl ether", - "iupac_name": "2-(2-methoxyethoxy)ethanol", - "smiles": "COCCOCCO", - "inchi": "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0275319620284209 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": 0.0017837003824935 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "k_ij": -0.029533319714347 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "k_ij": 0.049191155352384 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0839719209787344 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "k_ij": 0.0027158308450135 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "109-83-1", - "name": "n-methylethanolamine", - "iupac_name": "2-(methylamino)ethanol", - "smiles": "CNCCO", - "inchi": "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3" - }, - "k_ij": 0.0018860935624066 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "k_ij": -0.094036256105859 - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "k_ij": 0.0145905094734278 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": 0.0380229484040153 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "k_ij": 0.0403800341156568 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": -0.0004689931644834 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0058179268761884 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0171751614026804 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0467937000307369 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0517248628777272 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0273122666402 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0048788924362214 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0020098069600003 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0268658574285732 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0271130636777437 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0150777233844823 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0035529569745326 - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "592-50-7", - "name": "1-fluoropentane", - "iupac_name": "1-fluoropentane", - "smiles": "CCCCCF", - "inchi": "InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0043108823654023 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0053548451806114 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "k_ij": 0.0053594361209764 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "k_ij": 0.031530682535241 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0023482267824823 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0328213452030862 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0399339657155913 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0285261716288814 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": 0.0258288111550155 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "513-86-0", - "name": "3-hydroxy-2-butanone", - "iupac_name": "3-hydroxybutan-2-one", - "smiles": "CC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3" - }, - "k_ij": 0.0630052746628912 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0267165094306417 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0148680529732436 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0364416067505905 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0198359578035373 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.014871515252584 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0559351264415716 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "k_ij": 0.0526081359756651 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0630949084358683 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0525650228026651 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.006184050918255 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0525402002636818 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": -0.0659912952970651 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0060126437096809 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": -0.0161582553732157 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.1049215141136338 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "k_ij": -0.0038490928480318 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0413122951331247 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0439999137002824 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0382701522147108 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0505177142188886 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.0332141346973129 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0388297947370351 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.002256333179704 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0401948398019324 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0452048419094515 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0187728068830033 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": -0.0710468607341359 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0118856024489421 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0466160372819261 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": -0.0963443564758972 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0361056433127683 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0209539371044906 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0186037559441916 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0678900770059956 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0936888102050097 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.060992777440435 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.1461200601240479 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0430062171563976 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0299669121515719 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0383651675661658 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0095305085461639 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0450730032153825 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0084050726446895 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0389882601184843 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0310156169948933 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "k_ij": -0.0842762903127191 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": -0.1099428195862581 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": 0.0413162767853793 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.1019582499765397 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "k_ij": 0.0599178134735089 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "k_ij": 0.0056050598859638 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0257990128896201 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0503162440636119 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": -0.0446608263255973 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "k_ij": 0.0095491883139805 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0452805593980087 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": 0.0327814849912277 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "k_ij": 0.0157820313710958 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.034407742927741 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "k_ij": 0.0280290058548523 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.018685729046601 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0176864579938789 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.02817412362107 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0147281938769891 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0250129996928192 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": 0.0262053330429821 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0277958405337458 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "k_ij": -0.1148878661346574 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "k_ij": -0.0017444473431635 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0247576719186668 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": 0.09996117315022 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.010330143859807 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0015430322326058 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "k_ij": 0.09758070157782 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0532032933372057 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0491939014058792 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0096542515354522 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.03829700122964 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0489715191251749 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0357095820838803 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.0247919840246262 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0475062222588353 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0090853350526855 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0160518038724768 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.0282804374898701 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0284593891314422 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0261808547437135 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 0.0467130582013269 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "334-48-5", - "name": "capric acid", - "iupac_name": "decanoic acid", - "smiles": "CCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" - }, - "k_ij": 0.1073609288869555 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "k_ij": 0.0306658847941568 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0455189267901308 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1455-13-6", - "name": "o-deuteromethanol", - "iupac_name": "deuteriooxymethane", - "smiles": "[2H]OC", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" - }, - "k_ij": 0.005217093767424 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.029798155771354 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "k_ij": 0.0434535742661739 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": 0.0128052817426051 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "k_ij": -0.0051305224689061 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "k_ij": -0.0585140876690255 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "k_ij": 0.0419158759829274 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "k_ij": 0.0391354416287782 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "112-62-9", - "name": "methyl oleate", - "iupac_name": "methyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-" - }, - "k_ij": 0.0080068715557336 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0273200242046178 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0181581429995594 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "k_ij": 0.0221741793428231 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0454722621963881 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "k_ij": 0.0622357944278877 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "k_ij": -0.0814685982825754 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": 0.0366763924355398 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "k_ij": 0.034433756384031 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0219282044528409 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0180107175950086 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0121682375404099 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0101708030546075 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0334742396153787 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0032391548643283 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0111391947154399 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "k_ij": 0.0190354649702181 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.003982213046323 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0288766122159697 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0308279644823888 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0343958579235214 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" - }, - "k_ij": -0.0289621476727065 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0241746936880781 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "k_ij": 0.0239397330904578 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1000-63-1", - "name": "butyl tert-butyl ether", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]butane", - "smiles": "CCCCOC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3" - }, - "k_ij": 3.168948772441488e-05 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "k_ij": 0.049166964487352 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "k_ij": 0.0952064685780295 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0168851492395531 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "k_ij": 0.0078511875549348 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "626-89-1", - "name": "4-methyl-1-pentanol", - "iupac_name": "4-methylpentan-1-ol", - "smiles": "CC(C)CCCO", - "inchi": "InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3" - }, - "k_ij": 0.0151508476745366 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "k_ij": 0.0503590573616903 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-33-2", - "name": "dodecanoic acid ethyl ester", - "iupac_name": "ethyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3" - }, - "k_ij": -0.0433368228451292 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": -0.0383273019754617 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "k_ij": 0.0239245740773024 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0016797359053659 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "k_ij": 0.014608648772977 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "k_ij": 0.0196497406065181 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "k_ij": -1.4008596323469456e-05 - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.006249081273891 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0092367462130365 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0583809369190826 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0184422180208069 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0155255379898856 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0124620358336578 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": -0.0354445735002161 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "k_ij": 0.0093644718764911 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0277061545120316 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0120909942433183 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0112076339802384 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0123679490752459 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.0042225597795122 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.000808011653848 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.01717723738777 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "k_ij": 0.0036240341291886 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0090029196203324 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0095330722684297 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0601430263067184 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.006306385060341 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0064057647767476 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0207591646301522 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0759622263934454 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0014686505265226 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0027357789720497 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0225070171296997 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0075224067034093 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -3.8440768901220415e-05 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.0282804487289164 - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0070241981375636 - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0496634062662061 - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0394182638834578 - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0067929162715118 - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "k_ij": 1.3654901594687415e-05 - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0296829263957402 - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0152546134280818 - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.082864542217228 - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": -0.0168358733617507 - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "k_ij": -0.041376944317863 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0050563168748612 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0152911417262831 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": 0.0097302997124109 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0037883248773622 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0397418337210274 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0048209133673127 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0152889939061822 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0012018665342284 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0028248220843448 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.018521166241872 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0168381221739728 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0393013202961079 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0052519570526565 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0133771836654857 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0127053639011535 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0089589687360065 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": -0.0149794749457253 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.014447917717357 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0078041914819879 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "k_ij": -0.0261589909793163 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "k_ij": 0.0201383468379076 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "626-93-7", - "name": "2-hexanol", - "iupac_name": "hexan-2-ol", - "smiles": "CCCCC(C)O", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "k_ij": 0.0128485531303101 - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "1190-76-7", - "name": "cis-crotonitrile", - "iupac_name": "(z)-but-2-enenitrile", - "smiles": "C/C=C\\C#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-" - }, - "k_ij": -0.0856323660016246 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "k_ij": 0.001582478331291 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": 0.055714835892472 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0405177363838378 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0589778402297952 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0572660020964548 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": 0.0405326099247009 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0174846197683995 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.4414118454019891 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.1131576802544899 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.1006088659981486 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0873806183587286 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.527335773911732 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0288250368443884 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0043719327303215 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": 0.0057060074478977 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.01816502302489 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "k_ij": -0.0217610112303812 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "k_ij": 0.0468839943858504 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": 0.0347658697029431 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0494004116576641 - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": -0.0450295883469535 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0035220757581419 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0247490685159486 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "k_ij": 0.0008143143071582 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0053437901227684 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": 0.0126141726297103 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0049122159268104 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "k_ij": -0.003969257023258 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0240271137338141 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0629836518111629 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0579800272737799 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "k_ij": 0.0206989107022439 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "k_ij": -0.0035497686502467 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "k_ij": -0.0033396201387031 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.0020341975707811 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0520531396837776 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0525569575961771 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0554392988605946 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0476108822227453 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0696895253071123 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0013822125855812 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "k_ij": 0.0073932321741922 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0141727544088938 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.030940887094003 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.008322340727242 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.021798025269221 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": -0.0173900358131987 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0128372997350067 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0186314271704075 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0094916815426433 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0077869973556418 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0066882180547346 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0092020032992686 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0271234866234081 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0556809739026859 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -8.80636309516035e-05 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": -0.0032733308830022 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": 0.0099728641950766 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0133916709320445 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.024118614848043 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0775673278187967 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0328466251667056 - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "93-55-0", - "name": "ethyl phenyl ketone", - "iupac_name": "1-phenylpropan-1-one", - "smiles": "CCC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0022504782164034 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0294358226415426 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0036645865407165 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0009830958018288 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0336438462526482 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": -0.0020026344245427 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": -0.0102766503127672 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0318916227474907 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0315288900320389 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0793008588739324 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": -0.0612749233848647 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0196256051552604 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0428631941428231 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0467008782643647 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0178702363622435 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0399481743862317 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0265901668434539 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.028195771150225 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0058202030229308 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0535623315214848 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 1.122059964609057e-05 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0141371257657283 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.002448919781134 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.1386382220767172 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0109320581088431 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0068294818568653 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "100-63-0", - "name": "phenylhydrazine", - "iupac_name": "phenylhydrazine", - "smiles": "NNc1ccccc1", - "inchi": "InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2" - }, - "k_ij": -0.0054561026982617 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0379826887645052 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "k_ij": -0.0026130505910359 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": 0.0077240556490539 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": -0.0065597245884097 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": 0.0054473800388495 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0080020994710564 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": -0.0030240297668846 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": -0.045611329363956 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "k_ij": 0.0113248824979417 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": -0.0234509318816592 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0123184977228388 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0572941788341726 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-42-9", - "name": "m-chloroaniline", - "iupac_name": "3-chloroaniline", - "smiles": "Nc1cccc(Cl)c1", - "inchi": "InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2" - }, - "k_ij": 0.001080896086825 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "544-01-4", - "name": "diisopentyl ether", - "iupac_name": "3-methyl-1-(3-methylbutoxy)butane", - "smiles": "CC(C)CCOCCC(C)C", - "inchi": "InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3" - }, - "k_ij": -0.0087087042275979 - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "101-83-7", - "name": "dicyclohexylamine", - "iupac_name": "n-cyclohexylcyclohexanamine", - "smiles": "C1CCC(NC2CCCCC2)CC1", - "inchi": "InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2" - }, - "k_ij": 0.0067564024091484 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "k_ij": 0.0208296578104085 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "k_ij": 0.0057672458865617 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0075885334346182 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0009503262955482 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "k_ij": -0.0232408775286958 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0218146834793369 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": -7.929809105956721e-06 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "k_ij": 0.0195321516450636 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0161237632975283 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0167717780328522 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0266301009974195 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "k_ij": 0.020167227648042 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0102857756209269 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0010591578870628 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": 0.0011640139749216 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0023609122884734 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": 0.0121668685194364 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0493844632305001 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0104543340348312 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0185667302067847 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0343429078501076 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0229417428091649 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0088422107903867 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "k_ij": 0.0063281110638869 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.0224706523857354 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": -0.007878597250703 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0021493825347816 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0333694535069428 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.021657467944572 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0168923707168873 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0019987859330725 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0656310807421092 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0047349856350973 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0065414407985798 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0021670675931109 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.0228764951637773 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0079844846156651 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0016635705185558 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0178907982095185 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0139177353222881 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.005359157983373 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "k_ij": -0.0142236330974879 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0006445747543793 - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0425182865944973 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "k_ij": 0.0058335273546882 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0092907018889019 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 4.324910208776396e-06 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": -0.0023140864180839 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0535317755163108 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0300228249210926 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.010254937859089 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0115183382313276 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "k_ij": 0.0017259119581842 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0171930021798105 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0311080268534901 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0220800204037497 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0865780847339999 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.020606848485943 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0017869955748417 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0228796561925735 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "k_ij": -0.026529811305236 - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "123-63-7", - "name": "2,4,6-trimethyl-1,3,5-trioxane", - "iupac_name": "2,4,6-trimethyl-1,3,5-trioxane", - "smiles": "CC1OC(C)OC(C)O1", - "inchi": "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3" - }, - "k_ij": 0.0030722479069084 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "k_ij": 0.0020325569383816 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0452610197619714 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": -0.0010403207054835 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "k_ij": 0.0007083964807219 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0106083222056998 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0023522769121293 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0030877981897646 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0270228389014421 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0105062691607149 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "k_ij": 0.0032206005218312 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "k_ij": -0.0007559253998498 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "586-62-9", - "name": "terpinolene", - "iupac_name": "1-methyl-4-propan-2-ylidenecyclohexene", - "smiles": "CC1=CCC(=C(C)C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3" - }, - "k_ij": -0.015054778084078 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.152970452707771 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0147986981963603 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "k_ij": -0.0020201721930328 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "5989-54-8", - "name": "l-(-)-limonene", - "iupac_name": "(4s)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1" - }, - "k_ij": -0.0007798176542814 - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "473-55-2", - "name": "2,6,6-trimethylbicyclo[3.1.1]heptane", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]heptane", - "smiles": "CC1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3" - }, - "k_ij": 0.0056436698015489 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0186798822553942 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0157444069413865 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0114175780295045 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "k_ij": -0.0111374222724176 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": 0.0047286479408978 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0078375140559816 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0345510003732807 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0130409041468837 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0424538538912947 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0504754921008191 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0511641297905286 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0522192552355489 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": 0.0023043769201633 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0101695557908363 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": -0.0317118704365442 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.026117162137077 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": -0.0007872684090682 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0410268386671958 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0031758024046321 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": 0.0067628015656074 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0197119889003149 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": -0.0120650671887742 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0402814529585663 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0403648726552124 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0119158985800494 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0446138010902544 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0273473961828534 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0082916989097486 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0468851693614896 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0431312748139945 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0312903665286702 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0364053196385808 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0081335939983263 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0037197725937095 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0101662982834115 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0054972607866496 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0178419880226152 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0065983847588721 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.017169903756145 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0257966000600696 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0013100115639227 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": -0.0020962391464953 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0282054383690113 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": -0.0350314966221201 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0371050030669584 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0092570990333655 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0067142818287544 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0016902228351942 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0009310940423139 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0152157047176216 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0010280559760561 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0039453391228989 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0029711322675897 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0309400938536987 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0133050886567937 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": -0.0143851801353255 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.01570988734773 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0010429047741948 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0204269090044117 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0065178423227719 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "k_ij": -0.0622348528005857 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0014745255580391 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0426237251245046 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.0076152792877249 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.035870616036971 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0206837991176355 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": -0.0156461538248846 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.0191834003894827 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0054214077614057 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0161137295706369 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": 0.0012446944186716 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0183197694517394 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "k_ij": 0.0051308493636083 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0008875000836648 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0164822161574985 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0060817069846408 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": -0.0092614418990972 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "141-97-9", - "name": "ethyl acetoacetate", - "iupac_name": "ethyl 3-oxobutanoate", - "smiles": "CCOC(=O)CC(C)=O", - "inchi": "InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3" - }, - "k_ij": 0.057276312246122 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "k_ij": 0.0315181286216605 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": 0.0294619705226428 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0113491240943227 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0046241494151813 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "105-57-7", - "name": "1,1-diethoxyethane", - "iupac_name": "1,1-diethoxyethane", - "smiles": "CCOC(C)OCC", - "inchi": "InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0084637396248229 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0109134923139388 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0238944118753434 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0147056332117522 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": -0.0123915605254907 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0075742963104544 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "k_ij": -0.0195225681393796 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0218686732085852 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "122-79-2", - "name": "acetic acid phenyl ester", - "iupac_name": "phenyl acetate", - "smiles": "CC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0015359669726583 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0135429121420774 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0036249360004985 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0059275095751805 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": 0.0233574491007489 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0041923463283804 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "k_ij": 0.0225867192615066 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "102-09-0", - "name": "diphenyl carbonate", - "iupac_name": "diphenyl carbonate", - "smiles": "O=C(Oc1ccccc1)Oc1ccccc1", - "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": -0.0057155790853757 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "k_ij": 0.0047636528440515 - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "k_ij": -0.0341968660802981 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0298303390686816 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0201536929370107 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.023239553023102 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": 0.0263526263863033 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0185489574301012 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0016324892292853 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0425553259028022 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0167168800781925 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0115063844442274 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "k_ij": -0.058820092819416 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0333916870636888 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0419702553173907 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0170456512573046 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -1.7142913179489938e-05 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0208729389191764 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.008842349461691 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0861113849210636 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0319657827160445 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0157204475947469 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.0142177343068881 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0812613767961392 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0221834876211792 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0263794233332313 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0125703128163227 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0283710949311606 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0161060792239613 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.019128075771891 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.021846990222346 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0204535681661359 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0302234038406712 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0160845852568592 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0563795058084952 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0975826745292401 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0060792164320868 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0284408975252975 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0243029025306672 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0335427696187656 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0164628154568121 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0171504592173482 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0266576635458657 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0313451130694377 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": -0.0346880232452453 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0021746273542749 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0150255095506977 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0871289082846217 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": 0.0014122922400938 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.006095983042794 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0154997183980658 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0306150541448583 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0460434483781473 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0155321455049185 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.1005369562981729 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": 0.0026725136489946 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0128099084173986 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0323273117152204 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0338255161984493 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0175820670542138 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0145209015849825 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0056524296857228 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.022501160060526 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.0158491716398777 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0009727118870193 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0115237240710562 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0148093679195398 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 0.0292742214819454 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0300874183376841 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "k_ij": 0.0237206308152482 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "k_ij": 0.0224147217400343 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": 0.0122458879488483 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": 0.0091842787874637 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": 0.001536826019369 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0079530629910683 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0363400730811912 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0578778414354118 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": -0.0074876144793983 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": 0.0150650582998935 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0311814254819731 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.003958196704632 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0184313955807557 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "k_ij": 0.0038623286743062 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "k_ij": 0.0094968007700017 - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "6863-58-7", - "name": "di-sec-butyl ether", - "iupac_name": "2-butan-2-yloxybutane", - "smiles": "CCC(C)OC(C)CC", - "inchi": "InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3" - }, - "k_ij": 0.0090716788943429 - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0889332654646966 - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0492348756885686 - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "k_ij": -0.0801166217970724 - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "k_ij": -0.0955341647125777 - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "k_ij": -0.1092596993882906 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0169482557173555 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0028586813559535 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.031024695954431 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0114256986300984 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.2453507860276912 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0073364316870839 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0284317817455201 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "k_ij": 0.0271899280795455 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0078550084593298 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": -0.0048298970210059 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1842955600669596 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0704310263645748 - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "k_ij": -0.0254230866324461 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0028639072443103 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0230679774643498 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": -0.0066186609110965 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": -0.00499155138701 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0256485100002285 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0130877047785945 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0132611506949135 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0086207026868956 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0069041594146236 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": -0.0042747799566835 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.004198218335995 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0094960602934394 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": 0.0136296280633427 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "k_ij": 0.0019903333512716 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "k_ij": 0.0046400557674286 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0081406125047642 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": 0.0304237687601419 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0396885002407033 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": 0.0131390315609004 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0074551221752458 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0065560767732144 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0488490654231449 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0007101463764693 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0027813112268725 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": -0.0036852615986795 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0209970561997773 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0162369024500375 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": 0.0172746273324865 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "k_ij": -0.0017899772615534 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0054679281378386 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "k_ij": -0.000781790249927 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0216008336969188 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0112436937665122 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0050049337451212 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0008196733198182 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.0007472186262349 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": 0.0152458273537742 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0139907479417967 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0027040769546718 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0340563887452187 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0544159241722936 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": 0.013734235544705 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.0028957634220051 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 0.0024487733478642 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0092659880255411 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0403053788342055 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0013772460170954 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.00517296621678 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0004638937600801 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -1.617898990244206e-05 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0331502421607587 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.019804325559029 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "3522-94-9", - "name": "2,2,5-trimethylhexane", - "iupac_name": "2,2,5-trimethylhexane", - "smiles": "CC(C)CCC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3" - }, - "k_ij": 0.0019523199573467 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.000909497776064 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 1.2756507952523852e-05 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0130707566070275 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0552966661154019 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.0217203738171208 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0025840572872742 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0167943213565413 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0125470983295131 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0181204652942116 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0173010028265086 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0449888699076151 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0007277376365098 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-41-5", - "name": "2-methyl-2,4-pentanediol", - "iupac_name": "2-methylpentane-2,4-diol", - "smiles": "CC(O)CC(C)(C)O", - "inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" - }, - "k_ij": -0.0412391144816041 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0009441006195086 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.0331592570976322 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "k_ij": 0.0208555845843849 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0006621117083175 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0021572883190281 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": -0.0005721753715702 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0019441684239143 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "k_ij": 0.0213322966332476 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.0082121165736292 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0078228392224571 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "k_ij": 0.005543261973292 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "k_ij": 0.0004475957330055 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": 0.0166009845956542 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": -0.0025626411202541 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0388468261430605 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0244650075068654 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "k_ij": -0.0031911833295664 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "k_ij": 0.0121803650130726 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0005044306095313 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0088142444850233 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -2.0352791393234874e-05 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0184343943810866 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "k_ij": -0.0022546390605749 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": -0.0016748985364675 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": 0.0070144967341895 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1259795543730127 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0234954431868446 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "k_ij": 0.0012873431921272 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0135290794299854 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0013609861367447 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "536-78-7", - "name": "3-ethylpyridine", - "iupac_name": "3-ethylpyridine", - "smiles": "CCc1cccnc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3" - }, - "k_ij": -0.001307442208887 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "k_ij": -0.0237411996982584 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.011053381328831 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0025816566914437 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "k_ij": -0.0569409379234966 - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "5891-21-4", - "name": "5-chloro-2-pentanone", - "iupac_name": "5-chloropentan-2-one", - "smiles": "CC(=O)CCCCl", - "inchi": "InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3" - }, - "k_ij": 0.0112836586317842 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -1.931285126911086e-05 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0217756573795159 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": -0.0010140711482378 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0221771899338872 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": 0.0038112496586276 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "k_ij": 0.0104257474870753 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0133795001792182 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": 0.0012875347996239 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0029735933205616 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.004610644011309 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0184936429643078 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": 0.0137326751870735 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0380976440048151 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.0035548002079156 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0114453401691858 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0058740271851549 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0019949086766335 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0052350795158107 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0042000134368153 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0144888994064817 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0114700709711268 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": -0.0030095997702706 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0050087716719022 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "88-72-2", - "name": "o-nitrotoluene", - "iupac_name": "1-methyl-2-nitrobenzene", - "smiles": "Cc1ccccc1[N+](=O)[O-]", - "inchi": "InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3" - }, - "k_ij": -0.0167645127581844 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": 0.0017118219323564 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "1003-38-9", - "name": "2,5-dimethyltetrahydrofuran", - "iupac_name": "2,5-dimethyloxolane", - "smiles": "CC1CCC(C)O1", - "inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0086010973253706 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0097639899170672 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0426873790981455 - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "93-55-0", - "name": "ethyl phenyl ketone", - "iupac_name": "1-phenylpropan-1-one", - "smiles": "CCC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0103098205207636 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "k_ij": -0.0071057604366223 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0080211682684586 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": 0.0006727638917877 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0218893977069208 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0063213018454521 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0002257455611819 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0015900926174595 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0134780794925461 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0065056330402168 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0060896907068415 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": -0.0101577403749379 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": -0.006908994683072 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0021100901198162 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": 0.0094860001990174 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": 0.003117964102663 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": 0.0030595898048274 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "k_ij": 0.0096937983766519 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": 0.0234586516386848 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0393366663284698 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0066198298111886 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0072628980561328 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0468392851374531 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0099141870061071 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0049956937590872 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0406168718226523 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0090841243400964 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0028060894749387 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0145305924063282 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": 0.0150495930948272 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0022683776656182 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.022805221032763 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-44-5", - "name": "phosgene", - "iupac_name": "carbonyl dichloride", - "smiles": "O=C(Cl)Cl", - "inchi": "InChI=1S/CCl2O/c2-1(3)4" - }, - "k_ij": 0.0086546283314492 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0335521005537806 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0509309022988561 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0006033535786432 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0388264781909621 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0025784881309065 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0058395832575932 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0019786044090116 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": -0.0062617978373877 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -1.4699389809221398e-05 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0162994874982851 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0129616492326472 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0016998390623638 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0053313543936463 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0053504621108126 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0134294453634525 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": 0.0101523690169031 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.0466332110498181 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0177059575035746 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.0188851355445885 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0142120858337174 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0022229851225427 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": -0.0009642992761741 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0071056430217126 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0177689037221153 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0128837389908422 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": -0.0126299912066959 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0020813504092938 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0001896858914923 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "k_ij": -0.0149387654589161 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0261581173817607 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": 0.0069106626421397 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": -2.15200657678779e-05 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0217990776566274 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "k_ij": 0.0211368753884848 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0002594488563614 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "1003-38-9", - "name": "2,5-dimethyltetrahydrofuran", - "iupac_name": "2,5-dimethyloxolane", - "smiles": "CC1CCC(C)O1", - "inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0125291285643974 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": -0.0032151829402155 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0107680535346962 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1049908615066923 - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "k_ij": -0.0264580333336027 - }, - { - "id1": { - "cas": "106-46-7", - "name": "p-dichlorobenzene", - "iupac_name": "1,4-dichlorobenzene", - "smiles": "Clc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0315131375639087 - }, - { - "id1": { - "cas": "106-46-7", - "name": "p-dichlorobenzene", - "iupac_name": "1,4-dichlorobenzene", - "smiles": "Clc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "k_ij": -0.0009831241264164 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": -0.0180798011422916 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0304069761816476 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0156784235880313 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": -0.0122534898756334 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.004429606496731 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": -0.0065120824206993 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0071342888612493 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0191337090531097 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0366144126112869 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "k_ij": -0.0352403360895112 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": 0.0035083920163116 - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.042759343200994 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "k_ij": -0.012405552176696 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0455086532039747 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": 0.001376552282288 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "k_ij": -0.024842430753761 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0246870473229499 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0127135970645055 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0228328639484821 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0010872507302683 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": -0.0661633882391381 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": -0.0199715917858468 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "k_ij": -0.0151420383722507 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": 0.0182846514853988 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0220072298042103 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.026830965894583 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": -0.0265251596881363 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0273794633370912 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0428081292908837 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": 0.0228180948272777 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0211999099670552 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.0001838025775875 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0187974231420592 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -0.003390402018014 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0148592042527011 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0143970452136049 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0110429849658857 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.030624380310086 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": 0.0047963854020599 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0634825450019856 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": -0.0548262813853369 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "124-11-8", - "name": "1-nonene", - "iupac_name": "non-1-ene", - "smiles": "C=CCCCCCCC", - "inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3" - }, - "k_ij": 0.0020601357275964 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "k_ij": -0.0090722916921848 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": -0.0166148551532308 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": -0.0159243244529049 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": 0.0071876604905429 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "k_ij": -0.0009602565136298 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0473408568205676 - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "538-93-2", - "name": "isobutylbenzene", - "iupac_name": "2-methylpropylbenzene", - "smiles": "CC(C)Cc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" - }, - "k_ij": -0.0159414528789589 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": -0.0064875921773024 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0244573376061023 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0212017621171078 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "k_ij": -0.030342593798176 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": -0.006245748661081 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0108306806613682 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "k_ij": -0.0284628496325132 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0174434454522761 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "k_ij": 0.0153060537938047 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "k_ij": 0.010155714239664 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0171475364619559 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0158103102772695 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0021867514637328 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0107295067438157 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": -0.0029966168800404 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "k_ij": 0.0011518080942059 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0046314543387725 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": -0.0034563442013671 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "k_ij": -0.0022558518049793 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0261663739466697 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "k_ij": 0.0249364703544988 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "k_ij": 0.0112625032383255 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": 0.0065355785692157 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0120981470678196 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "k_ij": -1.620846793519973e-05 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0110395047428338 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": 0.0178951215653939 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0361262053818228 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": -0.0119952054573702 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0128644982387527 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0121013272892874 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0388027786219324 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0016738748205402 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0134077992178239 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.0048681315334769 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0067229501823208 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0343848678945473 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0120332330828409 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.010156766562143 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": 0.0054661773943372 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "k_ij": -0.0054256968093375 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.008178411548025 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "k_ij": -0.0059787012098229 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "k_ij": -0.0076002859028733 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0240912173279162 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0360639989453367 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "k_ij": -0.0063598828489388 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0116115741244535 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0077468452045378 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0150902720193799 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.012603513380476 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0040531215493986 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0094325012901252 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0288206164457329 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0307950990597225 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0102724030021595 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": -0.0045674939620572 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0025196681825701 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0226661619451262 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": -0.0010251040748074 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0163123882189257 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0337862834302324 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "k_ij": 0.010688037264689 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0057311853252439 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0043909243129982 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "k_ij": 0.0212724583644772 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.011574896910902 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 2.5136439062229548e-05 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0015596386625555 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0103892954347489 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0044435524853407 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -1.9298714943484847e-05 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0015801594338587 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "464-06-2", - "name": "2,2,3-trimethylbutane", - "iupac_name": "2,2,3-trimethylbutane", - "smiles": "CC(C)C(C)(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3" - }, - "k_ij": 0.015031171820333 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0236152264997945 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0672748270595303 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0021086314773734 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -2.1351148752784795e-05 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": -0.0221153149464331 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0012433093575727 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "k_ij": -0.0147007924089607 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0034687747813821 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0139540287634227 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": 0.1513183689599941 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": 0.0175921638829174 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.0356838134186099 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0194149729496932 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0503872958390603 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0205125207133125 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": -0.0135777539478566 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0165844677867053 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0017037948296222 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0147749635644164 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": 0.015825426260148 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0150838021380095 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "k_ij": 0.0075265039064909 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "k_ij": -0.0244359230668924 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "k_ij": -0.004959450153298 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "k_ij": 0.0041801630767755 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0032764374793844 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0020259998576065 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0294977749454009 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0033159917700743 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "k_ij": -0.0142524907963308 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0013447175266212 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0141105655786174 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": -0.0032032791854884 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "k_ij": 0.0116992281667318 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0122759182146092 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "k_ij": 0.0015836100880272 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.00672567362114 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": -0.0199772383369261 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.0393111928955918 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0094489346116499 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": -0.0131182377587343 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0049848849643112 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0012800820477586 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0115501887806422 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "k_ij": 0.0087163064578266 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0165445035319938 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 0.0007376361869123 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.018116772097042 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0016544729846073 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "k_ij": -9.780855149434304e-05 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "k_ij": -0.0271462027576383 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0109384960727454 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.0185151022065875 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0213633451697563 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.0091822867096211 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": 0.005320456197083 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0062398044365657 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "k_ij": -0.0147917665476961 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "359-70-6", - "name": "perfluorotriethylamine", - "iupac_name": "1,1,2,2,2-pentafluoro-n,n-bis(1,1,2,2,2-pentafluoroethyl)ethanamine", - "smiles": "FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15" - }, - "k_ij": 0.0704030033154042 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0014393482946882 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": -0.0244521823924892 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "k_ij": 0.013097202885603 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "k_ij": 0.0060609172736123 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": -0.0008417971207747 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0178048525477294 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "k_ij": -0.0195815693217585 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.041946746696579 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "589-34-4", - "name": "3-methylhexane", - "iupac_name": "3-methylhexane", - "smiles": "CCCC(C)CC", - "inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3" - }, - "k_ij": 0.0132185734943995 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0081635935412392 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "k_ij": 0.0135283019616295 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "k_ij": 0.0129842602582827 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": 0.0085454953268877 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "k_ij": 0.0020111472340795 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "smiles": "C=C(C)CCC", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "k_ij": 0.0068388463643163 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "691-37-2", - "name": "4-methyl-1-pentene", - "iupac_name": "4-methylpent-1-ene", - "smiles": "C=CCC(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" - }, - "k_ij": 0.0048512715025965 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "k_ij": 0.0244549519698651 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "k_ij": -0.0085168935123201 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0098841493359812 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "92-06-8", - "name": "m-terphenyl", - "iupac_name": "1,3-diphenylbenzene", - "smiles": "c1ccc(-c2cccc(-c3ccccc3)c2)cc1", - "inchi": "InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H" - }, - "k_ij": 5.017312577949909e-05 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0179560306292922 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "k_ij": -0.0183089132744889 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.0289147827981009 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" - }, - "k_ij": 0.0016001978848222 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "k_ij": 0.0036084530014053 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "k_ij": 0.0678647744549665 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": 0.0066747398396286 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": -0.0031111908365186 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "920-66-1", - "name": "1,1,1,3,3,3-hexafluoro-2-propanol", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-ol", - "smiles": "OC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H" - }, - "k_ij": 0.0308732562633146 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "k_ij": 0.0240289190236136 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "k_ij": 0.0076684383636277 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0042281163810015 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0270209658782798 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0071325760882618 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.0042327576327291 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "k_ij": -1.4966895082800271e-05 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": -0.0064447588681308 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": -0.0214501251182561 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "k_ij": 0.0049141000226176 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "k_ij": 0.0105949976547672 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "k_ij": -0.028753736125657 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-43-6", - "name": "dichloroacetic acid", - "iupac_name": "2,2-dichloroacetic acid", - "smiles": "O=C(O)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" - }, - "k_ij": -0.1582356710634737 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "k_ij": -0.0084858313424467 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "98-06-6", - "name": "tert-butylbenzene", - "iupac_name": "tert-butylbenzene", - "smiles": "CC(C)(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" - }, - "k_ij": -0.0106392072504772 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "88-75-5", - "name": "o-nitrophenol", - "iupac_name": "2-nitrophenol", - "smiles": "O=[N+]([O-])c1ccccc1O", - "inchi": "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H" - }, - "k_ij": -0.0131469778547574 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": 0.0020388232294459 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0036145056330541 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": -0.0003449607215006 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0339068902713829 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "100-60-7", - "name": "n-methylcyclohexylamine", - "iupac_name": "n-methylcyclohexanamine", - "smiles": "CNC1CCCCC1", - "inchi": "InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3" - }, - "k_ij": -0.0058117477542958 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "k_ij": 0.0064641388337019 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0043259628762732 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1107078866859121 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0243342549772054 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0118653502006622 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0214016068843836 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0228526358558003 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0805005543970194 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "k_ij": -0.0019217634354151 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": 0.0648335528633867 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "smiles": "Fc1ccc(F)cc1", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "k_ij": 0.0040201350780963 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "363-72-4", - "name": "pentafluorobenzene", - "iupac_name": "1,2,3,4,5-pentafluorobenzene", - "smiles": "Fc1cc(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" - }, - "k_ij": 0.010336646305641 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -0.0047256712654616 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "1076-43-3", - "name": "perdeuterobenzene", - "iupac_name": "1,2,3,4,5,6-hexadeuteriobenzene", - "smiles": "[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D" - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "k_ij": -0.0106250657223174 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0197564781740363 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "k_ij": -0.0089361045990669 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": -0.0087821501285243 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "78-82-0", - "name": "isobutyronitrile", - "iupac_name": "2-methylpropanenitrile", - "smiles": "CC(C)C#N", - "inchi": "InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3" - }, - "k_ij": -0.0363906633900889 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "k_ij": -0.0339071300183457 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "k_ij": 0.0088150561022724 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "k_ij": -0.0575855244284272 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.0304500025077975 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "k_ij": 0.0044162963547314 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "1638-26-2", - "name": "1,1-dimethylcyclopentane", - "iupac_name": "1,1-dimethylcyclopentane", - "smiles": "CC1(C)CCCC1", - "inchi": "InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3" - }, - "k_ij": 0.0057375310366233 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0059617160798077 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0152690117579141 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "k_ij": -0.0395156704900331 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "121-45-9", - "name": "trimethylphosphite", - "iupac_name": "trimethyl phosphite", - "smiles": "COP(OC)OC", - "inchi": "InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3" - }, - "k_ij": -0.0045758193191005 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "106-73-0", - "name": "methyl heptanoate", - "iupac_name": "methyl heptanoate", - "smiles": "CCCCCCC(=O)OC", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0114523693543102 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "k_ij": 0.0070847027140585 - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "542-28-9", - "name": "tetrahydropyran-2-one", - "iupac_name": "oxan-2-one", - "smiles": "O=C1CCCCO1", - "inchi": "InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2" - }, - "k_ij": -3.4264224641458693e-06 - }, - { - "id1": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0166727604392677 - }, - { - "id1": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": 0.040405462788313 - }, - { - "id1": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "id2": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "k_ij": 0.0679596340976906 - }, - { - "id1": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "id2": { - "cas": "75-86-5", - "name": "2-hydroxy-2-methylpropionitrile", - "iupac_name": "2-hydroxy-2-methylpropanenitrile", - "smiles": "CC(C)(O)C#N", - "inchi": "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3" - }, - "k_ij": -0.0602534995730354 - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0469232577989086 - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0034302284550964 - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "k_ij": -0.0014352508733862 - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.009051453857831 - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0024309837984003 - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0291358479306963 - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "k_ij": 0.0025048373518135 - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "k_ij": 0.0007921391876845 - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0145232301895933 - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "5989-54-8", - "name": "l-(-)-limonene", - "iupac_name": "(4s)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1" - }, - "k_ij": 0.0046699002177564 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0136510555125523 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0065980598997869 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0057527836054629 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 2.6219632779285077e-05 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0353746854139222 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0151428076765135 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0301911030453185 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0074365692584424 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0026614529738424 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.003318970457491 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0131996952584482 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0101863251114434 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0042240972603615 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0053988352463373 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0044347065378119 - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0488282278441033 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0078754907596841 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0484160865514132 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0373009434344381 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0698486590794387 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0324485235379495 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0330091609496678 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": -0.0213332101351702 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0522815121014109 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": -0.0780128787481362 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0232729902336173 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0160102231944096 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0060298141728688 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0333251574211355 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0545839416592149 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "112-07-2", - "name": "2-butoxyethyl acetate", - "iupac_name": "2-butoxyethyl acetate", - "smiles": "CCCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" - }, - "k_ij": 0.0074117921346945 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "k_ij": 0.0623475821609461 - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0007113769453009 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "k_ij": -0.0378812100619458 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0163794150955654 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0098582181142539 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0127931799918817 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "k_ij": -0.1470591311235305 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0322072612268256 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0384604931757974 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0033604119761465 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0281375986001716 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": -0.0466382688516001 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0105110385088849 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0883716062389407 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0228344297261727 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0724673961698448 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0152156107291428 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0251805261428206 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0023130782940065 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0202092604533299 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": -0.0045945775667428 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.012599273521145 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0067760719678008 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.009129669189051 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0112608621005989 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": -0.0375949047348418 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0291925401936932 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0224839616231855 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0225344529165474 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": 0.023183915588594 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": 0.0200348847945331 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0149431510942316 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0486849410790486 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0450471018438889 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0260265072160657 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0530186277109578 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0440874186931058 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.026478509016872 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0217929971905947 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0337029028670682 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0013884156231987 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.021638580098823 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0275635992448511 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0282651720154461 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.00469425376068 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0491659634460818 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0765237033020082 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "k_ij": -0.0312051126857265 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "k_ij": 0.0189547739112123 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": -0.0109527072159012 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0105612070710542 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0064485771940373 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0262355421936621 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0240689322367081 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0168068805594415 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0047306111943199 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0451965525912367 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "k_ij": 0.0027153934871108 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0287561202452864 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0836471820960651 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0075708409819373 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0242915903068261 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": -0.0410515896441149 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0054020602832928 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0309906284096175 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.0739588105453372 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-92-2", - "name": "dibutylamine", - "iupac_name": "n-butylbutan-1-amine", - "smiles": "CCCCNCCCC", - "inchi": "InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3" - }, - "k_ij": 0.0233555160895059 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0291012959040562 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0121414582229979 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0119338200043147 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0079670983764851 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0084733943039996 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.0162645277798586 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "k_ij": 0.0365925559898414 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0246735437892529 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0077195481911904 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.024569318398483 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0072199475035884 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": -0.0372867595716731 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.0095440617930622 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 0.0207263370594833 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0382703467408305 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "17071-47-5", - "name": "butyl isobutyl ether", - "iupac_name": "1-(2-methylpropoxy)butane", - "smiles": "CCCCOCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "k_ij": 0.0099690939906821 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "k_ij": 0.0102947393238372 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": 0.0062830326511138 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "k_ij": 0.0053504907091669 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "3452-09-3", - "name": "1-nonyne", - "iupac_name": "non-1-yne", - "smiles": "C#CCCCCCCC", - "inchi": "InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3" - }, - "k_ij": 0.0112005948640471 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0094236566900218 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.0067035179874689 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": 0.0133579407512452 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": 0.0144616277319217 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0091890587369615 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0249013575052281 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "k_ij": 0.0108411495892824 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "95-57-8", - "name": "o-chlorophenol", - "iupac_name": "2-chlorophenol", - "smiles": "Oc1ccccc1Cl", - "inchi": "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H" - }, - "k_ij": -0.0427748102189778 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "k_ij": -0.0495313032172011 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "14850-23-8", - "name": "trans-4-octene", - "iupac_name": "(e)-oct-4-ene", - "smiles": "CCC/C=C/CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+" - }, - "k_ij": 0.0227533389763547 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "k_ij": 0.0306030061849659 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0143860870446537 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0352747754801304 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "7642-15-1", - "name": "cis-4-octene", - "iupac_name": "(z)-oct-4-ene", - "smiles": "CCC/C=C\\CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-" - }, - "k_ij": 0.0309847820887972 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0086835156120693 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0525648646671074 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.1264335646129028 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0520095288462226 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": -0.0037262719762548 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": -0.0283555779536658 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": 0.0229714112542134 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0317959378334262 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0187504144567275 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "k_ij": -0.0272684255898371 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-34-2", - "name": "butyl vinyl ether", - "iupac_name": "1-ethenoxybutane", - "smiles": "C=COCCCC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3" - }, - "k_ij": 0.0012249882242667 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": -0.0102696179115213 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "k_ij": 0.0125389478317728 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "k_ij": 0.0020918098609864 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "29171-20-8", - "name": "3,7-dimethyl-6-octen-1-yn-3-ol", - "iupac_name": "3,7-dimethyloct-6-en-1-yn-3-ol", - "smiles": "C#CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3" - }, - "k_ij": 0.0070364170887245 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "k_ij": 0.0041793041402932 - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "k_ij": 0.0110332188154511 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "k_ij": -0.0340367314664566 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "k_ij": -0.0667673298844377 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0008769837631873 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "k_ij": -0.0668831996360831 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.028190433266128 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "k_ij": 0.0196249633586737 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0166573294779362 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "k_ij": -0.0180515753621735 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "k_ij": -0.0122461507139625 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0227797578593824 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0242952671639567 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "k_ij": -0.0362578776283738 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": -0.0491766226434807 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": 0.0113739668848276 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0165676789572675 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0132274033362324 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.0046395776265148 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0489590891908299 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0176724875077618 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0202496882742818 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0202892552391775 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": -0.0340412496564693 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0075720246018711 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0199821991283274 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": -0.0160963196329605 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0047189593834032 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0559156831962466 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0062529453961763 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0169962092650861 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": -0.0415935222674612 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.1151570128065095 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0310730732134585 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": -0.0009649827563885 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0647662144704411 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0360899834760945 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.001116087785994 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0080109276005731 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0132860913438255 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0036179597573272 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0121210784232026 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0039525383589771 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0151941195346433 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": -0.0143409024516513 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0307505806752608 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0100482932829626 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0426744376950326 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0131222924147871 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0072560695664411 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0237942552497479 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "k_ij": 0.0042132866907459 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0124165037320613 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0116114822795996 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0949316481113773 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.007821448483468 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": -0.0351579728799976 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.00500798015684 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0487328919178578 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0307384131286066 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0006612094696688 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0041053984047334 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": -0.0227188995434518 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": -0.0262995335588209 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": -0.0066642441429475 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0037695738853558 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.038772187535849 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": -0.0048342468718965 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": -0.0181229206315957 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0008153270230674 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": -0.0068899959960404 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0152773962697685 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0134755345119912 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.0037526601662873 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": -0.0077758720380026 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0074504017896101 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0027122342474266 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": -0.0389861037989919 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0177787816847911 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": -0.0068903421892751 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0174744370762953 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "k_ij": 0.0108807127226594 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0069927941960353 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": -0.0454060826307664 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0030006574386052 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "k_ij": 0.0085776097446547 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "628-41-1", - "name": "1,4-cyclohexadiene", - "iupac_name": "cyclohexa-1,4-diene", - "smiles": "C1=CCC=CC1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2" - }, - "k_ij": -0.0013934835024197 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.004718353395329 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "k_ij": -0.0151421604123715 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0116276580120636 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0167172376391485 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": -0.012701291311255 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" - }, - "k_ij": 0.015416697049456 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -0.0028797525249385 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0654262822422747 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": -0.0066476041946269 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0030413639262467 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0185807091681086 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0141348989298844 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.025082332699126 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "k_ij": 0.0117084556524473 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "k_ij": -0.0252786648180578 - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "k_ij": -0.0656504913403733 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0089144187230986 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0076955026768003 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0100879744360497 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0013229248409745 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0108546007130223 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0335533759385517 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0042081024541643 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0546446485565509 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": 0.0368495435714898 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.004337702685316 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0012520430609981 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0097754780572929 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0254669147965493 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0110456115606235 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0287908761577797 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "k_ij": 0.008507926630914 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0112911516170553 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0109363264303797 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "k_ij": 0.0503130898996222 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": 0.1689353465430099 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": 0.0100733695833046 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": 0.0141735482557836 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0027675921605206 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "k_ij": 0.0780169582942434 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "k_ij": 0.0805683837311644 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0195781354170539 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0121123013741973 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": -2.6040386715036483e-05 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "k_ij": 0.0353800105570119 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "k_ij": 0.0056042619263251 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": 0.0045276350401904 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": 0.0097145371722628 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0133384412109592 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0021359107857684 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0018317861736598 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": 0.0307935591605924 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0094083945828652 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "k_ij": 0.0498181933762313 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.0021384537225655 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0031278563267562 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0029815758098816 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.031216772664588 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "smiles": "CCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "k_ij": 0.0119525490108996 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0079956014521051 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0596548499178551 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": 0.0242867782311153 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0102540776980636 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1395445019011246 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0077469207834565 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0126132774056243 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0009105426782138 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0322195503845549 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0524810062181687 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1225370502590625 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0166309767896578 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.1096527769636697 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0999792057357338 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0962895087220536 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0152556063112901 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "k_ij": 0.0924105868807016 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0997915590878339 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0943548620177993 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-66-1", - "name": "2-methyl-2-propanethiol", - "iupac_name": "2-methylpropane-2-thiol", - "smiles": "CC(C)(C)S", - "inchi": "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0115110870379057 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.0825742686177546 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "540-63-6", - "name": "1,2-ethanedithiol", - "iupac_name": "ethane-1,2-dithiol", - "smiles": "SCCS", - "inchi": "InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2" - }, - "k_ij": 0.0353473950053664 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.0863910020178083 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": 0.0946811577626512 - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": 0.0676911056764327 - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "k_ij": 0.0013293305204652 - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "k_ij": -0.0228546143200079 - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.0125760306285232 - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.026662021221338 - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0035927396647064 - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0387256131410524 - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0007605817322908 - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "422-56-0", - "name": "1,1-dichloro-2,2,3,3,3-pentafluoropropane r225ca", - "iupac_name": "3,3-dichloro-1,1,1,2,2-pentafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H" - }, - "k_ij": 1.585803985877137e-05 - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "507-55-1", - "name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane r225cb", - "iupac_name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane", - "smiles": "FC(Cl)C(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H" - }, - "k_ij": -0.0073655184220334 - }, - { - "id1": { - "cas": "107-07-3", - "name": "2-chloroethanol", - "iupac_name": "2-chloroethanol", - "smiles": "OCCCl", - "inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0005474076709886 - }, - { - "id1": { - "cas": "107-07-3", - "name": "2-chloroethanol", - "iupac_name": "2-chloroethanol", - "smiles": "OCCCl", - "inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0114211331661579 - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": 0.0089126574075556 - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0334824378276945 - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0055971643333541 - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0070021344419701 - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.004961298284325 - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0059570929978075 - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0003085215488445 - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0121047243138453 - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0060044155111414 - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0067484422361139 - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0176794485507341 - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0032223700792698 - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.0139671515498688 - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0606289429678294 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0109214988275754 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "k_ij": 0.0046678680922803 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0111096532022341 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0055004672595892 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.000297215589137 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": 0.0076507179950207 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0327149749424922 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0076461197829791 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0075722997262714 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0286955772271476 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0054042959432498 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0058239380971751 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0097370558405429 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": 0.0140583162841691 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0062379598115984 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0180933481429447 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.005727338452509 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0243352914134941 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -2.1511375068602083e-05 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.004751522342415 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.007495332819103 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0036975344771522 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0053120009569861 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 2.048850076573226e-05 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": -2.2858795293521404e-05 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0015315837594946 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "k_ij": 0.0016201933825609 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0006596553069004 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0003072332471867 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0019624584852522 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0070076216175567 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0016738344300377 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.00582680020427 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0045818958619641 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0120554323562997 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "k_ij": 0.0031741428192569 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0051039398977638 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0025028550501267 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "628-41-1", - "name": "1,4-cyclohexadiene", - "iupac_name": "cyclohexa-1,4-diene", - "smiles": "C1=CCC=CC1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2" - }, - "k_ij": -0.0015545213132183 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": -1.9704672093998022e-05 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0369722178589048 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0217359494222538 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "93-55-0", - "name": "ethyl phenyl ketone", - "iupac_name": "1-phenylpropan-1-one", - "smiles": "CCC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0014978550661916 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.002276065795933 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "k_ij": 0.0033657223268648 - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "592-50-7", - "name": "1-fluoropentane", - "iupac_name": "1-fluoropentane", - "smiles": "CCCCCF", - "inchi": "InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": -0.0037347637999244 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0192626207721303 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "k_ij": 0.0167101812742878 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0261204517685393 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0125124422254205 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": -0.073776208545354 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0103704649523944 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0010507341502198 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": -0.0015794167647461 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0208358398660579 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "k_ij": -0.0158640105307959 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": -0.0469520595307849 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0329990155755972 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.0322329202456456 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0163211564276041 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": -0.0284030210110537 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0107447786768689 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0121002018826938 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.002581996393741 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0472882353690923 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "k_ij": -0.0074067892893936 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "k_ij": -0.0648606566216605 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": -0.0087744829209237 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0448521969434661 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "k_ij": -0.0525832192937402 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0035459560331647 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.045368590355937 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0196606081964662 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0836122067069448 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0084931458790336 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0663646684310962 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0138120520630742 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": -0.061693486517805 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0132473665914647 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0207300179449326 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0027355015173914 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0115083889502818 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0708093521744513 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.035817450591388 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "k_ij": -0.0566257050456149 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0558693639806893 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0451386549351483 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0942227584049278 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.05037178334957 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "k_ij": -7.379371420661247e-05 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0030850610065968 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0023647510586906 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "628-32-0", - "name": "ethyl propyl ether", - "iupac_name": "1-ethoxypropane", - "smiles": "CCCOCC", - "inchi": "InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0387632941609256 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0280003386795385 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0346805486028305 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0135928401295542 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "k_ij": -0.0397639596318091 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": -0.0320622997534655 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.0410388469274225 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "624-89-5", - "name": "ethyl methyl sulfide", - "iupac_name": "methylsulfanylethane", - "smiles": "CCSC", - "inchi": "InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3" - }, - "k_ij": -0.0316563673086073 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0340132025151041 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0192583564200272 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0337306481422452 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "k_ij": 0.0738031154471178 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-43-6", - "name": "dichloroacetic acid", - "iupac_name": "2,2-dichloroacetic acid", - "smiles": "O=C(O)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" - }, - "k_ij": -0.0459206825887669 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "149-57-5", - "name": "2-ethyl hexanoic acid", - "iupac_name": "2-ethylhexanoic acid", - "smiles": "CCCCC(CC)C(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" - }, - "k_ij": -0.0038670294571665 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0519669003763849 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-03-9", - "name": "trichloroacetic acid", - "iupac_name": "2,2,2-trichloroacetic acid", - "smiles": "O=C(O)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "k_ij": -0.0085991600910149 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": -0.0128600480584222 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0585571314919586 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-87-6", - "name": "2,2,2-trichloroacetaldehyde", - "iupac_name": "2,2,2-trichloroacetaldehyde", - "smiles": "O=CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" - }, - "k_ij": 0.0034255811489871 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0732036552668614 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.019623983755151 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": 0.060284897966159 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -0.0381223200675958 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0625985355702915 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": -0.0352282566939002 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.0547379392018181 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "k_ij": -0.0498217828988903 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "93-55-0", - "name": "ethyl phenyl ketone", - "iupac_name": "1-phenylpropan-1-one", - "smiles": "CCC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": -0.0214678363055259 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0511741514661061 - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0059417571033027 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "k_ij": 0.0390312842159332 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0306472587119244 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0095928468732642 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0809954861015663 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0359213482465143 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "k_ij": -0.0283180703939905 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0559145536916721 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": -0.1496810762492669 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "k_ij": 0.0291940362208685 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0308505304678796 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "k_ij": 0.02835050557862 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0148887587700292 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.1415023418625693 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0177983910273731 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 0.0319099389017397 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.1117398611465585 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0307995467503903 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0145371168869864 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0132171915050926 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.04571100497063 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.073796879670892 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0160633347321703 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.007896491931907 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0221284590023265 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0176720693406854 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0070766020952684 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.022339808394408 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "smiles": "Oc1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "k_ij": 0.0184042551891093 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "k_ij": 0.0179206973302721 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0322841579909781 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": -0.0324975106549723 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.1634898742317577 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0205366387584722 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": -0.0871083344167438 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "k_ij": -0.0054596498570839 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0377610401779548 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-44-1", - "name": "m-methylaniline", - "iupac_name": "3-methylaniline", - "smiles": "Cc1cccc(N)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" - }, - "k_ij": -0.0105125135416358 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "k_ij": -0.0005239107606816 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0179792422895424 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "k_ij": -0.0980311710693647 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0749468843894804 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0636835214709826 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0006556936709872 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-49-0", - "name": "p-methylaniline", - "iupac_name": "4-methylaniline", - "smiles": "Cc1ccc(N)cc1", - "inchi": "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3" - }, - "k_ij": -0.0142067051457785 - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "110-97-4", - "name": "diisopropanolamine (dipa)", - "iupac_name": "1-(2-hydroxypropylamino)propan-2-ol", - "smiles": "CC(O)CNCC(C)O", - "inchi": "InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3" - }, - "k_ij": -0.0292198348669164 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "k_ij": -1.4215440563414936e-05 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "k_ij": 0.0033203073565683 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0016422294059074 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0013066809991744 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0009670607891343 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": 0.0117721552944494 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "k_ij": 0.0758507145608155 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0380301940347935 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "k_ij": 0.024599511400803 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": 0.0297795200547551 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "k_ij": 0.0509915937800042 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "k_ij": -0.0014410967887732 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": 0.0514507633650924 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "k_ij": 0.0201612647077374 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0005397386019384 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "k_ij": 0.02779454824568 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0273561435337894 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": 0.0692747860834255 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0561494203425818 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": 0.0451387965680454 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0019535025738432 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0022488660373794 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0597024061060534 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0057088946355162 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": -0.0008337857602619 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.0185095714396834 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0034220606615782 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0781689242794473 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0458482352411277 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": 0.0487932067928583 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0235827355372008 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0256115507270829 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "k_ij": 0.0155000568634714 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "k_ij": 0.0289563730367993 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0005461730634538 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": -0.00135252278274 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.004852829822034 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0189027166831885 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0431496484673323 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.056611675222237 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.0324249613758087 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0048256800893255 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0519730178315774 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "k_ij": -0.0013783550328591 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0112573533347941 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0038915282689831 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "k_ij": 0.0305100138181012 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0208711391759777 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0130974886828702 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0068496293779651 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0049520640594903 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0103219184462771 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0581855027047436 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.1630351678090456 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0143780354791822 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0134464104686748 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0338097324435473 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "k_ij": 0.0110916755698469 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0248539308886965 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0223522605478605 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0305199621604719 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0177912800263606 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0291716547924289 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": 0.0189693424311752 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "k_ij": -0.0343891877755315 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.08038559595302 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0108720822802695 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": 0.0152901613756537 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0750660492362539 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": 0.0210484938486205 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0137129041057826 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0366756030622035 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": 0.0158181102774866 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": 0.0703850956391081 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "k_ij": 0.1020800368781226 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0170967318640323 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "k_ij": 0.0153254040866156 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0076992610248085 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "k_ij": 0.0259142687435818 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "k_ij": 0.0320463145967199 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0322865953707178 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0214802252259333 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "k_ij": 0.0175995091550635 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0446806672818132 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "smiles": "Cc1cc(C)cc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "k_ij": 0.0382381360427712 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "k_ij": -0.0782420039333781 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0230633761585627 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0194633238924243 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0331618986239354 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0286319750217754 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.017546082055318 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0138333179693719 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0516834287803978 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0024181093613591 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": 0.0046558996840382 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.0285601636873008 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0361011547062905 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "k_ij": 0.0174104014363877 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "k_ij": 0.0059824847905597 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0178884316720428 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": 0.0139611442274434 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0115389918933423 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0098471690885791 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0041582230210908 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0068544896071343 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0007743676321861 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 0.0165353354368554 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0240105666819417 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0345377706863762 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0614382680669523 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "k_ij": -1.975042326026727e-05 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.0013635572540515 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "97-88-1", - "name": "methacrylic acid, butyl ester", - "iupac_name": "butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCCC", - "inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" - }, - "k_ij": 0.0161096517802733 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0055240669148706 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": 0.0476591206747092 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0135598708873728 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0125776577146057 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0301495571184281 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0645511174786403 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "k_ij": 0.0239805231548059 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0166681729498084 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0702858298675427 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0256216823474942 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "k_ij": 0.0183787042655303 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "k_ij": -0.0028137597890149 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "99-99-0", - "name": "p-nitrotoluene", - "iupac_name": "1-methyl-4-nitrobenzene", - "smiles": "Cc1ccc([N+](=O)[O-])cc1", - "inchi": "InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3" - }, - "k_ij": 0.0141681754449102 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "k_ij": -0.0091261221323685 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0042725100937509 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "k_ij": -2.356317617182988e-05 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.004026054029628 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": 0.0215398695894064 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0187179478718251 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0128224986046711 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.0050566666138794 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "597-49-9", - "name": "3-ethyl-3-pentanol", - "iupac_name": "3-ethylpentan-3-ol", - "smiles": "CCC(O)(CC)CC", - "inchi": "InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3" - }, - "k_ij": 0.0256671637731333 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0338341372354211 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": 0.0307730106396939 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0105865106533395 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "589-43-5", - "name": "2,4-dimethylhexane", - "iupac_name": "2,4-dimethylhexane", - "smiles": "CCC(C)CC(C)C", - "inchi": "InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3" - }, - "k_ij": -0.014274776839572 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.0135771244013407 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "k_ij": 0.0001395433774812 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0008847250393994 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": 0.0414770323745214 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0091567489890818 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "100-40-3", - "name": "4-ethenylcyclohexene", - "iupac_name": "4-ethenylcyclohexene", - "smiles": "C=CC1CC=CCC1", - "inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2" - }, - "k_ij": 0.0119771374746202 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0104784057524832 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0084552298577052 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "151-56-4", - "name": "ethylenimine", - "iupac_name": "aziridine", - "smiles": "C1CN1", - "inchi": "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2" - }, - "k_ij": 0.0330590826157494 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "100-60-7", - "name": "n-methylcyclohexylamine", - "iupac_name": "n-methylcyclohexanamine", - "smiles": "CNC1CCCCC1", - "inchi": "InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3" - }, - "k_ij": -0.0154920923446562 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "k_ij": -0.0084047364912975 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0176354049784644 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1554643701791634 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0337757777359546 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.01983313116728 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.1015189195365632 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "590-35-2", - "name": "2,2-dimethylpentane", - "iupac_name": "2,2-dimethylpentane", - "smiles": "CCCC(C)(C)C", - "inchi": "InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3" - }, - "k_ij": -0.0031832957409719 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "589-53-7", - "name": "4-methylheptane", - "iupac_name": "4-methylheptane", - "smiles": "CCCC(C)CCC", - "inchi": "InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3" - }, - "k_ij": 1.0798577233123768e-05 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "k_ij": 0.0301171861619021 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "4390-04-9", - "name": "2,2,4,4,6,8,8-heptamethylnonane", - "iupac_name": "2,2,4,4,6,8,8-heptamethylnonane", - "smiles": "CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3" - }, - "k_ij": -0.0044981949450537 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "k_ij": 0.0275147966168234 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": 0.0147890109272374 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "k_ij": 0.0189378136530232 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0145522095219793 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "75-98-9", - "name": "pivalic acid", - "iupac_name": "2,2-dimethylpropanoic acid", - "smiles": "CC(C)(C)C(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)" - }, - "k_ij": 0.0346267480731115 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "88-73-3", - "name": "2-chloronitrobenzene", - "iupac_name": "1-chloro-2-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1Cl", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" - }, - "k_ij": 7.040258658980743e-05 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "k_ij": 0.0413135264047751 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0039427867407735 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.015775399747878 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0170710629585492 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0422929863401769 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-27-4", - "name": "isoamyl butyrate", - "iupac_name": "3-methylbutyl butanoate", - "smiles": "CCCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3" - }, - "k_ij": 0.0106118434075703 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0154754228452432 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "k_ij": 0.0126737039056068 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-18-9", - "name": "n,n,n',n'-tetramethyl ethylenediamine", - "iupac_name": "n,n,n',n'-tetramethylethane-1,2-diamine", - "smiles": "CN(C)CCN(C)C", - "inchi": "InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3" - }, - "k_ij": 0.0101080385719727 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-58-1", - "name": "1,4-dimethyl piperazine", - "iupac_name": "1,4-dimethylpiperazine", - "smiles": "CN1CCN(C)CC1", - "inchi": "InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3" - }, - "k_ij": 0.0107302411838322 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "4351-54-6", - "name": "cyclohexyl formate", - "iupac_name": "cyclohexyl formate", - "smiles": "O=COC1CCCCC1", - "inchi": "InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "k_ij": 0.0175055574358358 - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "104-78-9", - "name": "n,n-diethyl-1,3-diaminopropane", - "iupac_name": "n',n'-diethylpropane-1,3-diamine", - "smiles": "CCN(CC)CCCN", - "inchi": "InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3" - }, - "k_ij": 0.0057488285983339 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "k_ij": 0.0066405385663316 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0326356125259393 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "k_ij": 0.0163420013516827 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": 0.0249592775145353 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": 0.0453470523905226 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.0055807466602863 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0012597586021197 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": 0.0394685238301979 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0075840967862988 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "k_ij": 0.0049822618137254 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0016865421088611 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0158585880997662 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0058587416141674 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "k_ij": 0.0076412460984087 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0165037706405672 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.029159964138127 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0037814762922737 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0343148736851265 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "k_ij": 0.0068668665754969 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "k_ij": 0.0062731451033128 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0026532658726766 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0002990577482681 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0294071692082114 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0577198942820771 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "k_ij": 0.0007119583677121 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.001701709776137 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "k_ij": -0.013645727834786 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.0106307826077634 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": 0.0037278335792773 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0466685244412333 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "679-86-7", - "name": "1,1,2,2,3-pentafluoropropane [r245ca]", - "iupac_name": "1,1,2,2,3-pentafluoropropane", - "smiles": "FCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H3F5/c4-1-3(7,8)2(5)6/h2H,1H2" - }, - "k_ij": 0.0937812029297747 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "k_ij": 0.0536240235909622 - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": 0.0736735016467955 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0225003022942939 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0024866958521098 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0752998509480019 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0398684073721453 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": 0.0411442765912617 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0219792274304638 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0037306071994294 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -8.092876022741221e-06 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0186684616900505 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0112903905418739 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0123091105405644 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0167987373946383 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": 0.2432205625995088 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0144281238738398 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0066306271948178 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": -0.0088769817350982 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0283687397221861 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": -0.0040585214733979 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "k_ij": 0.0129778614632422 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "k_ij": 0.0277291270207532 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1405670577092102 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "smiles": "Fc1ccc(F)cc1", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "k_ij": 0.0285151522806886 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0018948905361564 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0347960392818317 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "k_ij": 0.0239409567233061 - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "4351-54-6", - "name": "cyclohexyl formate", - "iupac_name": "cyclohexyl formate", - "smiles": "O=COC1CCCCC1", - "inchi": "InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "k_ij": 0.0082771504728145 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0054297148322951 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "k_ij": 0.0449276951710557 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0127802701805598 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "k_ij": 0.0882185321430595 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0341637616963247 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": 0.0198563249207866 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "k_ij": 0.0038730385824906 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": 0.0472007154212181 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0265627613352732 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": 0.0468790502653792 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0023131699873062 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0011709024798992 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0654781107372587 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0054771631291878 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": -0.0019189907012902 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0857278759849981 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": -0.0005586189206866 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0396678663745617 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": 0.0536903935885825 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0229121882731814 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0339680305423028 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0049938627492123 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0546229236034205 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0069702877686933 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0551029240140455 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0362522850789363 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.0071717368479194 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0184036827863538 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0107183381858518 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0068702595974 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0071355118245741 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0394183694133565 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0216275494299743 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0161598482908491 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": 0.039053728584358 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": 0.009353716574828 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0155627172569131 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0385696070948704 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "k_ij": 0.1055591599877241 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0419856746964994 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0214562673996154 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.017328302119835 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0186541043241316 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0484040922060247 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": 0.0027694234982488 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0080174084294068 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "583-59-5", - "name": "2-methylcyclohexanol ", - "iupac_name": "2-methylcyclohexan-1-ol", - "smiles": "CC1CCCCC1O", - "inchi": "InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3" - }, - "k_ij": 0.0221790779538762 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 0.0068073903273296 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.063061105802602 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0059669211340464 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "k_ij": -0.0067906356808945 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0069382459181955 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "k_ij": -0.0027757014019977 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "k_ij": 0.0792630837317142 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0178427610848613 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0104863546509302 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0096828690370898 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1775598070341615 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0293073178649632 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0234413903155925 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0390806325918394 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0206907792957737 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0065146740927207 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0155150319615957 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0144116258999027 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0428593712249864 - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "k_ij": -0.0137851527625226 - }, - { - "id1": { - "cas": "583-60-8", - "name": "2-methylcyclohexanone", - "iupac_name": "2-methylcyclohexan-1-one", - "smiles": "CC1CCCCC1=O", - "inchi": "InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0101842097029317 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": 0.003487017360761 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -2.295429184544279e-05 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0704920819111242 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": 0.0528728043212618 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.00216858780943 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0041741724126501 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.010627216249494 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0235555146249502 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0152535107187953 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0073621652278547 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": -0.0081597193204932 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1617697181720219 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0122958866219943 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0145113720047821 - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0120011817468506 - }, - { - "id1": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0415284310725489 - }, - { - "id1": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0365615476945335 - }, - { - "id1": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "id2": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "k_ij": 0.0214794567095304 - }, - { - "id1": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "id2": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "k_ij": 0.0077034054236299 - }, - { - "id1": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "id2": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "k_ij": 0.018168439010789 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0030265361009743 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0096878963533508 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": 0.0117556563867978 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0023263311950567 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0059398492594191 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "k_ij": 0.0088453362387053 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0442687733193657 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0003070495705652 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0077251355814878 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": -0.0004299768995908 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0224283238121992 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0136465811426832 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0142409412693576 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.0078679259163634 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0024002454627465 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0062768489449537 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0294915877596524 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.0417477956702565 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0076965314829722 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0121214528337526 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0081493376558299 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0068809582653308 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0049711073343668 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.0138093752129779 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0011860639557434 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0011773624376217 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": -0.0036389202012161 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.018449941655265 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "97-88-1", - "name": "methacrylic acid, butyl ester", - "iupac_name": "butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCCC", - "inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" - }, - "k_ij": 0.0020735867427593 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0008805976887564 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0033135181040944 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "k_ij": -0.0032176265290299 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0017681129914423 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1132361530819228 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0072045444976674 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": -0.0042779798682875 - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "97-85-8", - "name": "isobutyl isobutyrate", - "iupac_name": "2-methylpropyl 2-methylpropanoate", - "smiles": "CC(C)COC(=O)C(C)C", - "inchi": "InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3" - }, - "k_ij": 0.0055660210720046 - }, - { - "id1": { - "cas": "110-45-2", - "name": "isoamyl formate", - "iupac_name": "3-methylbutyl formate", - "smiles": "CC(C)CCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0146150481435296 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0230691538662458 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": 0.0140868314776027 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "k_ij": 0.013796023869724 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": -0.0011863523373882 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0230766414578794 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": 0.0601528697580625 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.039402093715162 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": 0.0455747743876134 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0009484555793026 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "k_ij": 0.0216036439450208 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0563135919466699 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "k_ij": -0.0280771683638107 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "k_ij": 0.0064060878013946 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0440662252395582 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0032631367272779 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": 0.0260168613639708 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": 0.0345261781334063 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0084253335053548 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0163583059370257 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0345151728867554 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0400413541583078 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.0130175015701405 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": -0.0042793688434353 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0441542498272807 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "k_ij": 0.0057666737583384 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": -0.001557154221336 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0017452427362347 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0083436538397395 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0450585410013378 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.3740833141221669 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.001059495269686 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0037375579979352 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.0408079567401165 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0068210881826342 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.034873246982924 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "k_ij": 0.0107053166076847 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0173862117194807 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 0.0296303459343917 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0880981457954883 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": 0.0003265489952964 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0336989315410814 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0023603977009622 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.0306734410731504 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "k_ij": 0.0078957715889364 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0059592227680634 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "k_ij": 0.0050307994235512 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "624-22-6", - "name": "2-methyl-1-hexanol", - "iupac_name": "2-methylhexan-1-ol", - "smiles": "CCCCC(C)CO", - "inchi": "InChI=1S/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3" - }, - "k_ij": -0.1078726928583801 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.0101490148252015 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.038043352303464 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": 0.0128770813404389 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.027324780946995 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0824096174842526 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0320817392094378 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 0.0020393103995674 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0027139007950349 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "k_ij": 0.0023070715696151 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": 0.0030856492838767 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": 0.0338125771226372 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0297169855457981 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": 0.0174683344742372 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "k_ij": 0.014260895627806 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0155535314168821 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0033328107647952 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.005388879188164 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0331108580885635 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.00605698464427 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": 0.0292658283238344 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1416723210807366 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0194802911602531 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0197522420859983 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.097587593984114 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1611278695349843 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0169371858289377 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "625-50-3", - "name": "n-ethylacetamide", - "iupac_name": "n-ethylacetamide", - "smiles": "CCN=C(C)O", - "inchi": "InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)" - }, - "k_ij": 0.02070819640323 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.1188165226438956 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0065919105968055 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "638-02-8", - "name": "2,5-dimethyl thiophene", - "iupac_name": "2,5-dimethylthiophene", - "smiles": "Cc1ccc(C)s1", - "inchi": "InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "k_ij": 0.0057001054257475 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "smiles": "c1ccc2[nH]ccc2c1", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "k_ij": -0.066844471697896 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0390894005987635 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "131-11-3", - "name": "phthalic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,2-dicarboxylate", - "smiles": "COC(=O)c1ccccc1C(=O)OC", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" - }, - "k_ij": -0.0027437164642236 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "872-55-9", - "name": "2-ethylthiophene", - "iupac_name": "2-ethylthiophene", - "smiles": "CCc1cccs1", - "inchi": "InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3" - }, - "k_ij": 0.0244067813626182 - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "14073-97-3", - "name": "(-)-menthone", - "iupac_name": "(2s,5r)-5-methyl-2-propan-2-ylcyclohexan-1-one", - "smiles": "CC(C)[C@@H]1CC[C@@H](C)CC1=O", - "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1" - }, - "k_ij": 0.0145998175859041 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": 0.0049274788520576 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "k_ij": -0.0351404842088471 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0094025606053531 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0106571768910024 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0022695069197659 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.3048012200157142 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.0140781471148177 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0054948110157911 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0026842097361265 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": 0.1020641299085857 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0377314419878878 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "k_ij": -0.0294315832074948 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "k_ij": 0.0056811194534186 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0163081293200125 - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0420285856496796 - }, - { - "id1": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0289666681597543 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "k_ij": 0.0084569525128302 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": -0.0022787820896398 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0323015178179443 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0141141219668055 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0086464836343718 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0013308256921328 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0785005458668054 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0041064099855105 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": -0.0155140466328036 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.012198080073502 - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.1355165213151404 - }, - { - "id1": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "k_ij": -0.0030507973161371 - }, - { - "id1": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0047036930197689 - }, - { - "id1": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "k_ij": -0.0051083683911764 - }, - { - "id1": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0041599282074057 - }, - { - "id1": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0261441444809413 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "k_ij": 0.0057886750765362 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": -0.0368405450646093 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": -0.0197984468140936 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0032955384049618 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0275335365733955 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": -0.0035678390569157 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0276661461555707 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0275947270154897 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0067636817811525 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0305440380329947 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0062637256815942 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0109147568979549 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0090743127483542 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0128331510293176 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.025724242464349 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.0044471656581094 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": -0.01637159517687 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": -0.0003391303367136 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0165286365258558 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0134529834701629 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0360080730026752 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0152958919903265 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0195662659239085 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.020048376097801 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0025236220782654 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0043702361104312 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0245908476271602 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0124959166517344 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0132331823106844 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0514906668704216 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0046911167851215 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0018429597128972 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": -0.0140116945837905 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0032890584338427 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": -0.0029591591223674 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.0002112863406426 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0317613241529047 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0404503111241145 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.0742322443770339 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0064519201903294 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "k_ij": -0.0203943350676565 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0143846071772722 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0331387119397085 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0131253996524974 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0140841251785774 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0005778259838116 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "k_ij": -0.0366414925387733 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0046989736340598 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "k_ij": -0.0123796451691325 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": -0.01670693243797 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "k_ij": 0.0206334031836798 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0033948262928338 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0327662223311614 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0124284024741593 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.024273817812442 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0160047323604926 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0156339149593161 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0483871753062974 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "k_ij": -0.0126034792975508 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.0277057769917712 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -7.731642507178506e-06 - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "k_ij": -0.0269374415578467 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "k_ij": -0.017465032301729 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.0072972128156736 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0163937002668593 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0260733563699558 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0301550444279435 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0083183729079601 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0030354520441752 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0041745126367512 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.003714111911898 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": -0.0010675127136595 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0286090449249887 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "k_ij": -0.0018388091427298 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "422-56-0", - "name": "1,1-dichloro-2,2,3,3,3-pentafluoropropane r225ca", - "iupac_name": "3,3-dichloro-1,1,1,2,2-pentafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H" - }, - "k_ij": 0.0169840758559013 - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "507-55-1", - "name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane r225cb", - "iupac_name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane", - "smiles": "FC(Cl)C(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H" - }, - "k_ij": 0.0147586890240732 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "k_ij": 0.0182013480001438 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": -0.0382877634342971 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": -0.0244288479303162 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": 0.0184447955131933 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": -0.0078365502252553 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0254238251998008 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0031555010974623 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0346118591327173 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "k_ij": 0.0109136134998591 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0121036573094954 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": -0.0137933162542762 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0117934830135037 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0109569098689669 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0269030154230127 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0071244111550728 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0022233275796324 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0159372014156553 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0388349853983763 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0413307808281143 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0206780904222678 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0360381287662993 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0036430390343075 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": -0.0186694320432983 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.036274186793409 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0030512786320542 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0117812845443025 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0027757806422926 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0042960667660179 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": -0.0240998835900379 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0393315554952944 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": -0.0244182361906761 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0415827311454731 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0539731908889128 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0027875478168568 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0071038973392675 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0115554384010456 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": -0.0060696803388577 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.000728628234549 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0225365648393314 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.013829728683426 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.015805475506564 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": 0.0124246304511352 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0295959867718358 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0495064209967989 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0775028037054695 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": -0.0141924762889013 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0193123590277055 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.0455440772587734 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "k_ij": 0.011604342559218 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0557822475034591 - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.0307811461112856 - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.02118853900959 - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": -0.0044975087122817 - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0083686939644584 - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "k_ij": 0.0100282349455985 - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "k_ij": 0.0027373138898634 - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": 0.0052632084136106 - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.001175911474848 - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0189175310718854 - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "557-98-2", - "name": "2-chloropropylene", - "iupac_name": "2-chloroprop-1-ene", - "smiles": "C=C(C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "k_ij": 0.0064558703745164 - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "10061-01-5", - "name": "cis-1,3-dichloro-1-propene", - "iupac_name": "(z)-1,3-dichloroprop-1-ene", - "smiles": "Cl/C=C\\CCl", - "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-" - }, - "k_ij": 0.0008251397236372 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "k_ij": -0.0243205924833981 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "k_ij": -0.0103958178758239 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.021625785603211 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.1618376467539025 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0109804943455799 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0109171375729915 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0083946245268816 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": -0.0828570325392455 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0210073920838077 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": -0.0191895190287548 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "k_ij": -0.0029308537627068 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "k_ij": -0.0205201640560529 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0956336131662098 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "k_ij": -0.0089545746563523 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0245697652205619 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0176471777022487 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.0680811328206961 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": -0.1004619497706277 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0122879860823583 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": -0.0884479623113617 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.090934507345934 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0067799281546883 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": -0.028764348931192 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": 0.0002785167594718 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0655421379107718 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.0167685450800723 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.002467575828871 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.022535353824977 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": -0.0069238627304212 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0135772654908789 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0103047350066119 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0333733621430198 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0094532645304003 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0115366332602718 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0102905329397241 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0261160988540281 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0070624395045376 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0269812150530069 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": -0.003733400395678 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": -0.100044327617672 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0151837537790006 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": -0.0042699126637416 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": -0.0042503252018505 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "k_ij": -0.004366697462422 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0156101791047073 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": -0.0088617393266676 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0595732343456258 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": -0.0149311731154579 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "k_ij": 0.0012620643137564 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0055900394523424 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": -0.092893899215939 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0062592040337952 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "k_ij": -0.0180657790673445 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0327022727661594 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "k_ij": -0.0725531853803638 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": -0.0099930842974234 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0477334915903262 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0236765419047552 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": -0.0662303021668847 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0092162112156382 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": -0.0068158489802291 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": -0.0138060551707546 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": -0.0164474405556805 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": -0.0032694472179578 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "k_ij": -0.053433200324933 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "589-34-4", - "name": "3-methylhexane", - "iupac_name": "3-methylhexane", - "smiles": "CCCC(C)CC", - "inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3" - }, - "k_ij": 0.0025191892267124 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "k_ij": -0.0038370068832874 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "k_ij": -0.0334459994176412 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": -0.041464112720923 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": -0.032020234783966 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "k_ij": -0.033767269226026 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0847710675173588 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0121927354651363 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.1376393078524872 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "1574-41-0", - "name": "cis-1,3-pentadiene", - "iupac_name": "(3z)-penta-1,3-diene", - "smiles": "C=C/C=C\\C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-" - }, - "k_ij": -0.017023153898473 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0093152540156028 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0423832554119429 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0024701841116571 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": -0.0203934798774216 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0185277206821291 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "k_ij": -0.021585297689824 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "1638-26-2", - "name": "1,1-dimethylcyclopentane", - "iupac_name": "1,1-dimethylcyclopentane", - "smiles": "CC1(C)CCCC1", - "inchi": "InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3" - }, - "k_ij": 0.0074353772662357 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0488028953663398 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "k_ij": -0.0508872300085268 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.1363004144456004 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "573-98-8", - "name": "1,2-dimethyl naphthalene", - "iupac_name": "1,2-dimethylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1C", - "inchi": "InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3" - }, - "k_ij": -0.0033031946280629 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0189560709792308 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "k_ij": -0.0395851485047386 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "k_ij": -0.0449636340721898 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "463-49-0", - "name": "propadiene", - "iupac_name": "propa-1,2-diene", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "k_ij": -0.0295118773813458 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0516450614008389 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0235073617003314 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": -0.1516704652465448 - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": -0.1102524418956121 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0438811848513595 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0403448918474493 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0028401866669994 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0240117166338812 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0577218785923133 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.0147095913151704 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0522697979414323 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0586261024572661 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0239632077364558 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.006480133995263 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0006610919056036 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0015532282260159 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0005087048774314 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0206819256844104 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0139533960712424 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0220359373967391 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "k_ij": 0.0459188551386024 - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "13353-03-2", - "name": "trimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxy)methane", - "smiles": "COCOCOCOC", - "inchi": "InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0035658357254278 - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0016370941086121 - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.006722293839618 - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0038243294024205 - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0446867899586204 - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0022574408358774 - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0175597582509982 - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0516470047303223 - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0330827048532021 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0366667367483614 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0377671082043151 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0377148026788743 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.0082408557372305 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0243001912122176 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.003412946328745 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0175334128937475 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0605078812971673 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0392769164256335 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0301172278111491 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0048269307823542 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0043783554618441 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0450893664494606 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0250489155107141 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0118478833221701 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.012572338288588 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.020688404322789 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0226346644703475 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0067208686526825 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0323019983631087 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": 0.0096327152029494 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0047892263460737 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": -0.0582059829147042 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": -0.0010406116510216 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0040111842065011 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.039786866340568 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": -0.0059707725203992 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0245576040499847 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "k_ij": 0.0138904619798354 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "375-83-7", - "name": "1-hydroperfluoroheptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane", - "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7HF15/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H" - }, - "k_ij": 0.0202059831784971 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "k_ij": -0.0565986699460341 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "k_ij": -0.0758744267131798 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.0087701248979227 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0132632499995939 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0148546527481474 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.008906065754425 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0214092841194244 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0045691143145893 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0401345816723835 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": -0.0472955006855918 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0097295429700023 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.1161435501384454 - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": 0.016438675443264 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0916146556253588 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.016497162906759 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0161907345731384 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "k_ij": -0.0014977617280078 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.018307168070454 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0909888736034611 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0059889521456798 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0011817812713329 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0013708555032309 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0021092675598225 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0008518789191659 - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "k_ij": -0.0157594402500637 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": 0.0486246595451995 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "k_ij": -0.0022186488352754 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0003753251610101 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0063257336591802 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0965830518109124 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0128275736011294 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "k_ij": 0.0088231179131916 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0024689303311872 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": 0.0207718724799015 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "112-88-9", - "name": "1-octadecene", - "iupac_name": "octadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3" - }, - "k_ij": 0.0063415350077307 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0195438441363352 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0410312241166286 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0416286722088042 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0019938102838452 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.0485954217574943 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.030417117670622 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "k_ij": 0.0091800044767687 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.012489659837447 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": -0.0139209500308111 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0079566657427535 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "112-34-5", - "name": "diethylene glycol monobutyl ether", - "iupac_name": "2-(2-butoxyethoxy)ethanol", - "smiles": "CCCCOCCOCCO", - "inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0128523145303739 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": 0.0066615087126157 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0280544035478968 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0277464631565685 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "95-68-1", - "name": "2,4-dimethylaniline", - "iupac_name": "2,4-dimethylaniline", - "smiles": "Cc1ccc(N)c(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3" - }, - "k_ij": -0.034761007474134 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "95-15-8", - "name": "benzo(b)thiophene", - "iupac_name": "1-benzothiophene", - "smiles": "c1ccc2sccc2c1", - "inchi": "InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H" - }, - "k_ij": 0.0066189702347568 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.130689540266785 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0147990065665635 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.025901070115901 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0182996877508417 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.1062746281318002 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "106-32-1", - "name": "octanoic acid ethyl ester", - "iupac_name": "ethyl octanoate", - "smiles": "CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0130458545031323 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0203957987796507 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "106-33-2", - "name": "dodecanoic acid ethyl ester", - "iupac_name": "ethyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3" - }, - "k_ij": 0.0076515595578435 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "k_ij": 0.0039950487673257 - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "110-38-3", - "name": "decanoic acid ethyl ester", - "iupac_name": "ethyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0131848628752221 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "k_ij": -0.0080007894027793 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.0429817812280916 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0429252756211275 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": -0.000447254566365 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -1.1444776493463613e-05 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0335514731041837 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.00691315528655 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.00024378897474 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": -0.0071239327777808 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "k_ij": -0.0091325771892103 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0613994924751283 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "k_ij": 0.0040458692581867 - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "104-55-2", - "name": "cinnamaldehyde ", - "iupac_name": "(e)-3-phenylprop-2-enal", - "smiles": "O=CC=Cc1ccccc1", - "inchi": "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H" - }, - "k_ij": -0.0058967284662051 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "k_ij": 0.0042571724614197 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0223228835686645 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": -0.0119160886942238 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0198163137869904 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0253023427904391 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0040517153695457 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -1.9143860593373192e-05 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "k_ij": 0.0021910211451185 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0232972717641849 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0158388963125764 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.0671429305079393 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0230971552763699 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.076216007189139 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0024700596493006 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0049980223764059 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0192526191292329 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0005016577124389 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0047100142681566 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0131783800823964 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0052595312674445 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0020175482807833 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0151911514445019 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0513548620476146 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0011923543395952 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0335089739971505 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": -0.0115061117997108 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 2.3428740870783037e-05 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0047089119450474 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "k_ij": 0.0170136534763542 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0228012367104633 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0062304423422356 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0012937833099985 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0084973467162136 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": -0.0148022169223311 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "k_ij": 0.0007968840614548 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "120-80-9", - "name": "1,2-dihydroxybenzene ", - "iupac_name": "benzene-1,2-diol", - "smiles": "Oc1ccccc1O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "k_ij": -0.0994235674356719 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0683721842275316 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "k_ij": 0.0060358119345988 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.01086788575695 - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0129002757462903 - }, - { - "id1": { - "cas": "622-45-7", - "name": "cyclohexyl acetate", - "iupac_name": "cyclohexyl acetate", - "smiles": "CC(=O)OC1CCCCC1", - "inchi": "InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0941132626600071 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "k_ij": -0.0188603077571861 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0549679620247771 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0544581381726495 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0229113303124566 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0620492423614015 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "k_ij": 0.0304081882347932 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0405518069231523 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0550342341756059 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0554591273398812 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0068667158656315 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0676380546062122 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0080003973377605 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0329120441955069 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.013310673968687 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0269592940837363 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0007791326761319 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.008815598134711 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.057618289828411 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "534-15-6", - "name": "1,1-dimethoxyethane", - "iupac_name": "1,1-dimethoxyethane", - "smiles": "COC(C)OC", - "inchi": "InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3" - }, - "k_ij": 0.0048021551488372 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0591336652147631 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": 0.0261959603867561 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0056047120554933 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0107109199587411 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": 0.0372277331052529 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0037500948370306 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0223125660969851 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": -0.0014755363704697 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0028546859132046 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -1.0438935091998412e-05 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0629931303040912 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0242542880607554 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0390681983351248 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0313629189540539 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0045864381504459 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.059098062127629 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.0046513211561287 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": 0.0033559674774501 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "k_ij": 0.0159464392786107 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0009837014300034 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0108041973284833 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": -1.4082851082628557e-05 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.037891579638084 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0320434753281119 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0206687792890093 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0046124605767669 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0586425351608587 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0176878929986762 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0100533251043629 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0299650763063003 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.0698647759986251 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0017621685744823 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0029639615864816 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": 0.0279725148613143 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0131083948510904 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "k_ij": 0.0169857785852536 - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0013164722124428 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "k_ij": -0.0328577227659689 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0258495651721186 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0264814844931573 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0228743146926123 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": -0.0787627794923422 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": -0.0105363242020743 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "k_ij": 0.0530578878695885 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0161120169554192 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": -0.1217972776833988 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0305300411232886 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0718871283991531 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0392908027926735 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": -0.0583791557746149 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0316595064612852 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0777612939115036 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0069757170253338 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.1357394528109314 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 0.0253642735872715 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.2241060218205455 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0857018236739092 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0386609444509205 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.039971134556961 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0407524152661728 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0474339121659684 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": -0.0028218519177572 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.045485434215406 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0041661471120605 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": -0.060992638638559 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.1758347578203799 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.0050312347434117 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": -0.0205373295722925 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": -0.0414461290211531 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0187644747824432 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "k_ij": -0.1130320460361483 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0154719694828269 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.1492273868439182 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0227346165626689 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": -0.1041519921719659 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0026503496723111 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "k_ij": -0.0364470825570049 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0470781595581299 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0486570759731911 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": -0.0516400485975506 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0201451082296319 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "k_ij": -0.0048349806533447 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0419321384895739 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": 0.0244037617134415 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0208360993307523 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0031184994988431 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0095621992640532 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0518468214640738 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0136756788254601 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.026714325723015 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": -0.062324025314098 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0230028255111575 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": -0.0106009416356405 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0587306881263047 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": -0.0132532862086093 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "k_ij": -0.0195103489949177 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0146789228694727 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0011782674223203 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 1.2759507804826618e-05 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "k_ij": 0.0146064638422585 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-92-5", - "name": "2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane", - "iupac_name": "2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane", - "smiles": "C=C1C2CCC(C2)C1(C)C", - "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "k_ij": 0.0634786367449499 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": 0.0008030590479867 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-55-7", - "name": "ethylene glycol diacetate", - "iupac_name": "2-acetyloxyethyl acetate", - "smiles": "CC(=O)OCCOC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3" - }, - "k_ij": -0.03443462709474 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "k_ij": -0.0143144243627708 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "k_ij": -0.2033972062723891 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "k_ij": -0.0218723997177925 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "1656-48-0", - "name": "3,3'-oxybispropionitrile", - "iupac_name": "3-(2-cyanoethoxy)propanenitrile", - "smiles": "N#CCCOCCC#N", - "inchi": "InChI=1S/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2" - }, - "k_ij": 0.0417553402434382 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": -0.0587225353245288 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0299979184441965 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "542-10-9", - "name": "1,1-ethanediol diacetate", - "iupac_name": "1-acetyloxyethyl acetate", - "smiles": "CC(=O)OC(C)OC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3" - }, - "k_ij": -0.038146902758894 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "k_ij": 0.0312366939474353 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "k_ij": -0.0272617439742562 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "105-38-4", - "name": "vinyl propionate", - "iupac_name": "ethenyl propanoate", - "smiles": "C=COC(=O)CC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3" - }, - "k_ij": 0.0057894352680072 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "75-87-6", - "name": "2,2,2-trichloroacetaldehyde", - "iupac_name": "2,2,2-trichloroacetaldehyde", - "smiles": "O=CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0080684444971408 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": -0.0104859313325871 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": -0.1071260420033666 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "k_ij": -0.0255369343850846 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "105-53-3", - "name": "diethyl malonate", - "iupac_name": "diethyl propanedioate", - "smiles": "CCOC(=O)CC(=O)OCC", - "inchi": "InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0111867080064315 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0255272481328712 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.0190480347499754 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "124-12-9", - "name": "octanenitrile", - "iupac_name": "octanenitrile", - "smiles": "CCCCCCCC#N", - "inchi": "InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3" - }, - "k_ij": 0.0158913300421451 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0279698975936951 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0561838683557561 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "542-59-6", - "name": "glycol monoacetate", - "iupac_name": "2-hydroxyethyl acetate", - "smiles": "CC(=O)OCCO", - "inchi": "InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3" - }, - "k_ij": -0.0480918324795269 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "78-85-3", - "name": "methacrolein", - "iupac_name": "2-methylprop-2-enal", - "smiles": "C=C(C)C=O", - "inchi": "InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3" - }, - "k_ij": -0.018999691033086 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "103-09-3", - "name": "2-ethylhexylacetate", - "iupac_name": "2-ethylhexyl acetate", - "smiles": "CCCCC(CC)COC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3" - }, - "k_ij": -0.0145838566882411 - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": -0.0041060172538694 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0328857940339332 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0348585019357926 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0313860163988386 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.0028883636090574 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "k_ij": 0.0181178536741079 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0033449626786278 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.03304522629413 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": -0.0015809542792242 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0387081181044915 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "k_ij": 0.0617600357544026 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0107410169724458 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0054004036219674 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0298568990452186 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0013203966475733 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "3522-94-9", - "name": "2,2,5-trimethylhexane", - "iupac_name": "2,2,5-trimethylhexane", - "smiles": "CC(C)CCC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3" - }, - "k_ij": 0.0292168313730209 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0067343624341972 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.011429403260661 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0240056546776537 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "k_ij": -0.0359155915883125 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0164685094981861 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0181667742331195 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 0.0157650327898041 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "k_ij": 0.026023168481207 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0278297971423944 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0110837472021448 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "k_ij": 0.017541617403926 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "98-06-6", - "name": "tert-butylbenzene", - "iupac_name": "tert-butylbenzene", - "smiles": "CC(C)(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" - }, - "k_ij": 0.0150640017394229 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0169601241430459 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.006572070591289 - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0043446116790148 - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0563519355145989 - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": -0.0111546926536461 - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": -0.0644039867500145 - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": -0.0179717545966763 - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0571889005673411 - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0808211402598406 - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0321039437725213 - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": -0.0123283712513064 - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "k_ij": -0.0551105024815233 - }, - { - "id1": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 8.280732369086322e-06 - }, - { - "id1": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "k_ij": -0.0044553054074785 - }, - { - "id1": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "k_ij": 0.0038381332287052 - }, - { - "id1": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1663504790043597 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 1.7311420353009434e-05 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0008244902730011 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0425020089460984 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 1.374995305561316e-05 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.0135521277924082 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "k_ij": 0.0142772471986008 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0017939609677983 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "k_ij": -0.0101960411551286 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-26-2", - "name": "hexylamine", - "iupac_name": "hexan-1-amine", - "smiles": "CCCCCCN", - "inchi": "InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3" - }, - "k_ij": -0.0341949336327812 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "616-39-7", - "name": "methyl diethyl amine", - "iupac_name": "n-ethyl-n-methylethanamine", - "smiles": "CCN(C)CC", - "inchi": "InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3" - }, - "k_ij": 0.0107550961893542 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0601300531069417 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0009897890433228 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0012865527361073 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0313757752381374 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": 0.0408384077921551 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "k_ij": 0.0337678543400126 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0237751617247345 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0160397003365785 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "k_ij": 0.0117020188426724 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0007488432175993 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0050620277955054 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0099416795026915 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0295643115074091 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0039133372152949 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.028685032041354 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0287250795564463 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0188185163074113 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": 0.0365109445520224 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.0248945724985193 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0325628812390512 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.010501047923549 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0031649966988379 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "k_ij": 0.0339854608434614 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0126539346647766 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0099483232419275 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0070589659385536 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "k_ij": 0.0199446313683726 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -0.0002895825911241 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.005538930772178 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0047809359912632 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0446340910517949 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.2351467602715308 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0031198348393139 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0062185717523525 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0027808974426713 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "k_ij": 0.0795111053088624 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "k_ij": 0.0227626813545505 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0166603918500667 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0160637370363166 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0137279987137741 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0145990952733793 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": 0.0161383258775473 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0180964068084175 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": 0.0086990447361641 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": 0.0156417843178125 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.0615137551560228 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0181550655457922 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": 0.0069480329320835 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.0089210524968359 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 1.0455077562169436e-05 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0279809371128647 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": 0.0016502044458178 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "k_ij": 0.0187494311871241 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": 0.0491746226108586 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "k_ij": 0.0819247028564147 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "k_ij": 0.016044769669149 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "k_ij": 0.0134920430967329 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0280300027762659 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0021002661098693 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "k_ij": 0.003928943166742 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0138788407001216 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0314367164035852 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0184544708299213 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0084789056666275 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0077370841516418 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0103290724357986 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 0.0252181688091241 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0774925475041629 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0071707453280278 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0340966033552019 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0165144280303015 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0204920329860999 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "k_ij": 0.0107906319076243 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": -0.0409929016591638 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0246998268609929 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "k_ij": 0.0533270249855829 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "k_ij": 0.0489340010913095 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0004848602955298 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": 0.0064462064128578 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": 0.0131192204236349 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0344128662945951 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0063787032464665 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0079004369166327 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0051351698017159 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "k_ij": 0.0044256330306011 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0236116172308352 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 1.0777037528638876e-05 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0014914756188263 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0186274921348832 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0203539167216273 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "k_ij": 0.0095155039132929 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "k_ij": 0.0257362344926841 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "k_ij": 0.0375467332730992 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.032083056939416 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0466508259844836 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "96-18-4", - "name": "1,2,3-trichloropropane", - "iupac_name": "1,2,3-trichloropropane", - "smiles": "ClCC(Cl)CCl", - "inchi": "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2" - }, - "k_ij": 0.0453732440656327 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0368573649691372 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0106445441583525 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0052343554274424 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "359-70-6", - "name": "perfluorotriethylamine", - "iupac_name": "1,1,2,2,2-pentafluoro-n,n-bis(1,1,2,2,2-pentafluoroethyl)ethanamine", - "smiles": "FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15" - }, - "k_ij": 0.0797008548768243 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0020531422324838 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0206136292828635 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0454678330440849 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "k_ij": 0.0098034276857747 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0545860399028796 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "502-56-7", - "name": "5-nonanone", - "iupac_name": "nonan-5-one", - "smiles": "CCCCC(=O)CCCC", - "inchi": "InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0120486421067179 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0029992653964669 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "k_ij": -0.0003827315556082 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0371171855113668 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "k_ij": 0.0822595179317439 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "120-82-1", - "name": "1,2,4-trichlorobenzene", - "iupac_name": "1,2,4-trichlorobenzene", - "smiles": "Clc1ccc(Cl)c(Cl)c1", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H" - }, - "k_ij": 0.0080874735524047 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0002960389962335 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "k_ij": 0.0092310255619094 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "1455-13-6", - "name": "o-deuteromethanol", - "iupac_name": "deuteriooxymethane", - "smiles": "[2H]OC", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" - }, - "k_ij": 0.0681237160033918 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": 0.0039427002539597 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.0281658381607302 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": 0.0374993219132295 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.036589292328796 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": 0.0140228541112501 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": 0.0022538513722492 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "k_ij": 0.0761786103584742 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0101054380770403 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0093819677483829 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0123312155362224 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.0094245579857837 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": 0.0240625974661236 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "k_ij": 0.017395611802035 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" - }, - "k_ij": 0.0113718170670797 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": -0.0015396659092785 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-43-4", - "name": "p-chlorotoluene", - "iupac_name": "1-chloro-4-methylbenzene", - "smiles": "Cc1ccc(Cl)cc1", - "inchi": "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "k_ij": 0.0024561564801421 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.0080980294386624 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0094614753081769 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0343509905888408 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "100-40-3", - "name": "4-ethenylcyclohexene", - "iupac_name": "4-ethenylcyclohexene", - "smiles": "C=CC1CC=CCC1", - "inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2" - }, - "k_ij": 0.0061665238921431 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0069155367349364 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0071135265161885 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "102-82-9", - "name": "tributylamine", - "iupac_name": "n,n-dibutylbutan-1-amine", - "smiles": "CCCCN(CCCC)CCCC", - "inchi": "InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3" - }, - "k_ij": 0.0006216276651191 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "k_ij": 0.0106375020444293 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0149736199252916 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1391000380174366 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.016756548426838 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0085851176398991 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 3.032549978255087e-05 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0051767606794096 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": 0.1138498597668732 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1256417267436305 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "k_ij": 0.0144233068442257 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "k_ij": -0.0005082522076593 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": 0.0233555863030514 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0112221061490079 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.1061855529430442 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0254615525687982 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "k_ij": 0.0146530109968439 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0067082837347064 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "k_ij": 0.0054434386458014 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0226327279989688 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0042365487767849 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0119081234349173 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.031048346311056 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0303423148531899 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0242480401615573 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "999-97-3", - "name": "hexamethyldisilazane", - "iupac_name": "[dimethyl-(trimethylsilylamino)silyl]methane", - "smiles": "C[Si](C)(C)N[Si](C)(C)C", - "inchi": "InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3" - }, - "k_ij": -0.0034215006420494 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-27-4", - "name": "isoamyl butyrate", - "iupac_name": "3-methylbutyl butanoate", - "smiles": "CCCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3" - }, - "k_ij": 0.0097191132053584 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0132912404374362 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "k_ij": 0.0331307423012815 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "5891-21-4", - "name": "5-chloro-2-pentanone", - "iupac_name": "5-chloropentan-2-one", - "smiles": "CC(=O)CCCCl", - "inchi": "InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3" - }, - "k_ij": 0.05070101038566 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0088586998442949 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "k_ij": 0.0155550132072253 - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "k_ij": -0.0092135110860929 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0421476704133787 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0025062203999098 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.000721866100307 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0013485876710532 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.062922522650603 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "k_ij": -0.0007689333379314 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": -0.000588578400529 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0313182448400724 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": 0.0365175676227516 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0234266282601213 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0210088134122645 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "k_ij": 0.0213542973740015 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0022738074729381 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.0319844232118392 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0141927642503907 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0350314006555288 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0235378012378632 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0300898902606476 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0330570386482192 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": 0.0368254773843319 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.0247561710014641 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0413589371519625 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0030179249099092 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0121510680550793 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0073102400555616 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0005861736814865 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -0.0046361463200697 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0021581814979851 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0020295416241261 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0042405486146213 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0048175527996576 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0177195993428253 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0164268264618269 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0068589391659995 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0041283968025631 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0267646251046309 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0161206736838525 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0322570790942224 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": 0.0098907516796872 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": 0.0158348215644496 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0192703830437393 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0602751034811531 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.03075708505578 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": 0.0026578468515467 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0110915853522134 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "k_ij": 0.0189927427956097 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "k_ij": 0.0234724605647348 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0282627687515848 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0151944989769487 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0321432503945043 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0172136841553502 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0075487607807146 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0150979140052386 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 0.0276621028390357 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0732978850256114 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0232175650128657 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0108858998337905 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "335-57-9", - "name": "perfluoro-n-heptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" - }, - "k_ij": 0.0810311726368726 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.0045377438134546 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": 0.015874267280902 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0243946112319836 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0268775519466964 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0054426237048941 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "k_ij": 0.0232382080745583 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": 0.0099216047894184 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0096315344647841 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0042666329885226 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.005146640938973 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "583-59-5", - "name": "2-methylcyclohexanol ", - "iupac_name": "2-methylcyclohexan-1-ol", - "smiles": "CC1CCCCC1O", - "inchi": "InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3" - }, - "k_ij": 0.0361422778559314 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0059113971297283 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0083847497054077 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0065007536660333 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.008624427874409 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.022640505589376 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0202017473387799 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0208406123821645 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "k_ij": 0.01039947626858 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0515124442425287 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.0016513721540722 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "k_ij": 0.0156088514054366 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": -0.0010765323823609 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": 0.0385499412491164 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "335-44-4", - "name": "2,2,3-trichloroheptafluorobutane", - "iupac_name": "2,2,3-trichloro-1,1,1,3,4,4,4-heptafluorobutane", - "smiles": "FC(F)(F)C(F)(Cl)C(Cl)(Cl)C(F)(F)F", - "inchi": "InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.0290648029178439 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.039592322636194 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0096739720929669 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0150619053707637 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0196310231766401 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0582765678628231 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0279873869973158 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": 0.0280175079635388 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.0302352208466417 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0433212028617234 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "k_ij": -0.0230577436754904 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.0292457839765321 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "k_ij": 0.0281462466267933 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": 0.0178881077652299 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "k_ij": 0.0108275511627543 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "k_ij": 0.0016987813826558 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0147415048264161 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3" - }, - "k_ij": -0.0077496957324585 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0098367248024345 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0100729836296565 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0098919647947338 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.0096939556718321 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "594-83-2", - "name": "2,3,3-trimethyl-2-butanol", - "iupac_name": "2,3,3-trimethylbutan-2-ol", - "smiles": "CC(C)(C)C(C)(C)O", - "inchi": "InChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3" - }, - "k_ij": 0.0079728992306751 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0267437941344012 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0060559289586066 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0288334806042235 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 0.0272873115429999 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" - }, - "k_ij": -0.0007944824740378 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.0069753140415467 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0022295420748246 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0094589533500902 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "591-49-1", - "name": "1-methylcyclohexene", - "iupac_name": "1-methylcyclohexene", - "smiles": "CC1=CCCCC1", - "inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3" - }, - "k_ij": 1.196723170331388e-05 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0081195705443728 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "624-24-8", - "name": "methyl valerate", - "iupac_name": "methyl pentanoate", - "smiles": "CCCCC(=O)OC", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0246423652185076 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0074009702477658 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "589-98-0", - "name": "3-octanol", - "iupac_name": "octan-3-ol", - "smiles": "CCCCCC(O)CC", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.006262362665179 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "123-96-6", - "name": "2-octanol", - "iupac_name": "octan-2-ol", - "smiles": "CCCCCCC(C)O", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.0043806040776579 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": 0.0107496445664881 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "k_ij": 0.0011905004926192 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0165013660648021 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1189726286609893 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0117312643888533 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.028390655961602 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0026733620358021 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0069960712917263 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "k_ij": 0.0139126648767448 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "k_ij": 0.0189833271708497 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "k_ij": 0.0166361033121126 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0353702445151013 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "629-14-1", - "name": "1,2-diethoxyethane", - "iupac_name": "1,2-diethoxyethane", - "smiles": "CCOCCOCC", - "inchi": "InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0225185925450224 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "k_ij": 0.0157763458276647 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-98-9", - "name": "pivalic acid", - "iupac_name": "2,2-dimethylpropanoic acid", - "smiles": "CC(C)(C)C(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)" - }, - "k_ij": 0.013313583677566 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0110936050995303 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0087599230345153 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0105931953841492 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0143729243734934 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0315142818883831 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-62-7", - "name": "bromotrichloromethane [r10b1]", - "iupac_name": "bromo(trichloro)methane", - "smiles": "ClC(Cl)(Cl)Br", - "inchi": "InChI=1S/CBrCl3/c2-1(3,4)5" - }, - "k_ij": 0.0024759590033922 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0240616545023463 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-27-4", - "name": "isoamyl butyrate", - "iupac_name": "3-methylbutyl butanoate", - "smiles": "CCCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3" - }, - "k_ij": 0.0071027611656397 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0099047646896446 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-18-9", - "name": "n,n,n',n'-tetramethyl ethylenediamine", - "iupac_name": "n,n,n',n'-tetramethylethane-1,2-diamine", - "smiles": "CN(C)CCN(C)C", - "inchi": "InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3" - }, - "k_ij": 0.0022966935434662 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-58-1", - "name": "1,4-dimethyl piperazine", - "iupac_name": "1,4-dimethylpiperazine", - "smiles": "CN1CCN(C)CC1", - "inchi": "InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3" - }, - "k_ij": 0.0090388062515661 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "1445-79-0", - "name": "trimethylgallium", - "iupac_name": "trimethylgallane", - "smiles": "[CH3].[CH3].[CH3].[Ga]", - "inchi": "InChI=1S/3CH3.Ga/h3*1H3;" - }, - "k_ij": 0.027584649983298 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "k_ij": -0.0080267859637748 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "1184-58-3", - "name": "dimethylaluminum chloride", - "iupac_name": "chloro(dimethyl)alumane", - "smiles": "[Al+].[CH3].[CH3].[Cl-]", - "inchi": "InChI=1S/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1" - }, - "k_ij": -0.0185614160504134 - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "104-78-9", - "name": "n,n-diethyl-1,3-diaminopropane", - "iupac_name": "n',n'-diethylpropane-1,3-diamine", - "smiles": "CCN(CC)CCCN", - "inchi": "InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3" - }, - "k_ij": 0.0214335462996202 - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0187325195674939 - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0215107579966294 - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0025467292097226 - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0235700537834777 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "k_ij": 0.0475059491307773 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.0089523619996766 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0516332090558178 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0050776984455099 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0373766893878105 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0070556056105534 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0030109000583555 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0096640204286239 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "k_ij": 0.0307981232714694 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": 0.0049529609806207 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0012762497280505 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0152289612136019 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0069765065100138 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0048418923608393 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "359-70-6", - "name": "perfluorotriethylamine", - "iupac_name": "1,1,2,2,2-pentafluoro-n,n-bis(1,1,2,2,2-pentafluoroethyl)ethanamine", - "smiles": "FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15" - }, - "k_ij": 0.080176100866965 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0199398910212393 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "k_ij": 0.0165346502395544 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.0086632180595419 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0095819197706244 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": 2.737649278089523e-05 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": 0.0298215196351157 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1392956505197113 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0170875962944806 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1213951365786466 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0175311098516643 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0197194743191786 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0083815579054339 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": -0.0014010291316227 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "k_ij": 0.075379340586954 - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": 0.091308945076678 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0064038578618501 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.0530991668418047 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "k_ij": 0.0332912525393672 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0347636849468587 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "k_ij": -0.0367499754613689 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0275428521669146 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0519943046618134 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0370837672967939 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.0357347161560715 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": -0.0366943158485209 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0354531205645794 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0433267239097464 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 1.631317157806521e-05 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0680446641637861 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": -0.0203486045400203 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0818901093453913 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.002142654364649 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0521912260612467 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0448715440167765 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0581959715571026 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0283993205527603 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0358924003730296 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0552749415082883 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0505483352600461 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0116160980308068 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0072701515726748 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": 0.0067163977967582 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0775584413091549 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0704501998908178 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "k_ij": -0.0374205530374648 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "k_ij": 0.0706125203512925 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0029448813292108 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": 0.0019150710941027 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0195608204539502 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": -0.0152369782133942 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0354000760110256 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0207655730515635 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0172306672190891 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "k_ij": 0.0386067618570668 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "k_ij": 0.0076330450644182 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.042125259937249 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0788307331703223 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 0.0007822064986054 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0106685608066712 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0176557124774567 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": 0.044753538938164 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0159857498635711 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0276037587867373 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0583528659280017 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.0721141450349463 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.012813224372801 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0543583995687489 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0539497479643025 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0374245545720116 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0031400884871848 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "k_ij": -0.0387631233759458 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.000506294735137 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0490281765538092 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "k_ij": 0.0748354862896832 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0106116224996864 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0099817689872619 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0095279143213592 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.0306041231385308 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0089019130058346 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0276691742133302 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0250526909379244 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 0.0470764257570985 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "k_ij": 0.0459657111261374 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "k_ij": 0.0480858531298255 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "k_ij": 0.0456977830323861 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0013407136620061 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0231517587396501 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.0266692403632919 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0286770303938247 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0007258410527369 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "k_ij": 0.0515595156818576 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": 0.0321525151698144 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "k_ij": 0.0531825342110939 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0269610023967091 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "105-57-7", - "name": "1,1-diethoxyethane", - "iupac_name": "1,1-diethoxyethane", - "smiles": "CCOC(C)OCC", - "inchi": "InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": -0.0016714095132805 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0403051670447184 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0389333543075731 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0126134413594891 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0107053408028488 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "3710-30-3", - "name": "1,7-octadiene", - "iupac_name": "octa-1,7-diene", - "smiles": "C=CCCCCC=C", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2" - }, - "k_ij": 0.0427345487465894 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": -0.0476744181534681 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0074340759307204 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0314669668509139 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0440402368481495 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "17348-59-3", - "name": "isopropyl tert-butyl ether", - "iupac_name": "2-methyl-2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)(C)C", - "inchi": "InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3" - }, - "k_ij": 0.0236144711597963 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "141-10-6", - "name": "6,10-dimethyl-3,5,9-undecatrien-2-one", - "iupac_name": "(3e,5e)-6,10-dimethylundeca-3,5,9-trien-2-one", - "smiles": "CC(=O)C=CC=C(C)CCC=C(C)C", - "inchi": "InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3" - }, - "k_ij": 0.0118553403852863 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "k_ij": 0.0094033504257883 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "13171-18-1", - "name": "2-methoxy-1,1,1,3,3,3-hexafluoropropane [r356mmz]", - "iupac_name": "1,1,1,3,3,3-hexafluoro-2-methoxypropane", - "smiles": "COC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3" - }, - "k_ij": 0.0059037322947133 - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "k_ij": 0.0023447462759145 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "k_ij": 0.00934017186408 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0011084528669884 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0058097132368382 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0050038024132383 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0388649833762348 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0284079165183909 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0006561825619293 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.00029877812535 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.025483740035777 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0143763026162035 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0033855247381993 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0072311419378314 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": 0.0008403923892472 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": 0.0035881456328046 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0017386781420885 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0209171102852473 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0071666295227175 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0022069710550422 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "k_ij": 0.0144617604933041 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0013768087033593 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0138688927850477 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "k_ij": 0.0060162973371148 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0370981811518784 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0134871864993049 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0052239704579684 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.007220830139588 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0024929440177928 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0898077936551623 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.003849377983247 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": -0.0037548256741047 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.096849545751385 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0225581905132791 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "k_ij": -0.0007871419954381 - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "k_ij": 0.0187574925630426 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "k_ij": 0.0036343918387622 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0704937412431171 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.022403763954862 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0244654111326033 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0004325894678375 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0098509501962956 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.039436429696537 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.023572647958459 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0455077645579666 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0019395201848045 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0108087280789746 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0068486348113774 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -0.0030762057632293 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0078955795030766 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0046128056112322 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0109735003089507 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.001098699317621 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0022415206170448 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0139630287655928 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": 0.2066747717542739 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": 0.0224892222631267 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": 0.0076633266543012 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "k_ij": -0.0038194510042036 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "k_ij": 0.0113818687296623 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0188881640467897 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0217711114385765 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0295719031866158 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.012100287731086 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0027652657695063 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0332301125365864 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "335-57-9", - "name": "perfluoro-n-heptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" - }, - "k_ij": 0.0783965595840548 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0022094611825219 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": -0.0024143523582597 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 0.0038358514904018 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0575336675706528 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0108961422732639 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0232197607177104 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "k_ij": -0.0034083080306645 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0142536150969127 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0033516933702638 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0077506004745108 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0136968096498987 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0083375969479086 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0032216469761899 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0033769752181894 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0627825887612458 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.034891397695736 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0124261534532322 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "110-81-6", - "name": "diethyl disulfide", - "iupac_name": "(ethyldisulfanyl)ethane", - "smiles": "CCSSCC", - "inchi": "InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0084063415711051 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.1361972971062513 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0092829771587679 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0115475733426641 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0104881145798886 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0348297831464615 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "872-55-9", - "name": "2-ethylthiophene", - "iupac_name": "2-ethylthiophene", - "smiles": "CCc1cccs1", - "inchi": "InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3" - }, - "k_ij": 0.008477759432835 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0108266833970506 - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "57018-52-7", - "name": "1-tert-butoxy-2-propanol", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]propan-2-ol", - "smiles": "CC(O)COC(C)(C)C", - "inchi": "InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3" - }, - "k_ij": 0.0146140436890563 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0369581632945821 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0177677166954363 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "k_ij": -0.0147143299569936 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.007909775662057 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0008119676201597 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": 0.0034265511767726 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0132800117679112 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0259740556819708 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 2.0004046245435616e-05 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0093019233738083 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "k_ij": -0.0083029359764111 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0030871510235277 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": 0.0016529922941085 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0019141478925383 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "k_ij": 0.002839497781495 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.043781777575701 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0368867323552577 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": -0.0200941901893906 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0074535571217052 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "k_ij": 0.0032212465813921 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "563-45-1", - "name": "3-methyl-1-butene", - "iupac_name": "3-methylbut-1-ene", - "smiles": "C=CC(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3" - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "k_ij": 0.005298456603892 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": 0.0021317691614432 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "k_ij": 0.015309025857696 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": 0.0059288672131923 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0017867196341105 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": -0.0018271548549366 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": 0.0052794262743812 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "k_ij": 0.0194570870834612 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.0194177997751207 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "k_ij": 0.0041112385590042 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0034126536135729 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "591-93-5", - "name": "1,4-pentadiene", - "iupac_name": "penta-1,4-diene", - "smiles": "C=CCC=C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2" - }, - "k_ij": 0.0022072810903375 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": 0.002994510961279 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "k_ij": 0.0190617490802209 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "1574-41-0", - "name": "cis-1,3-pentadiene", - "iupac_name": "(3z)-penta-1,3-diene", - "smiles": "C=C/C=C\\C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-" - }, - "k_ij": 0.002830820692579 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0957507222856368 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0037252308722409 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0721950002871222 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "6163-66-2", - "name": "di-tert-butyl ether", - "iupac_name": "2-methyl-2-[(2-methylpropan-2-yl)oxy]propane", - "smiles": "CC(C)(C)OC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3" - }, - "k_ij": 0.0808759354955298 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.001461513225258 - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "598-25-4", - "name": "dimethylallene", - "iupac_name": "3-methylbuta-1,2-diene", - "smiles": "C=C=C(C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0046288297961746 - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0397342824697509 - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0099731486473715 - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0035992551482933 - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0476639326252243 - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": -0.0054378107791297 - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1170841420837622 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "k_ij": -0.0129857502307418 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "111-26-2", - "name": "hexylamine", - "iupac_name": "hexan-1-amine", - "smiles": "CCCCCCN", - "inchi": "InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3" - }, - "k_ij": -0.0451990607069636 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0485293745611999 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0032089594682174 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.004072571763504 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0106781086210415 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0018011013991618 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0067632368432547 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0173757666759404 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0185506382881337 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0025369996215869 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0020403655202888 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0020955852248356 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 1.2429408118557055e-05 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "k_ij": 0.0074261609762371 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -0.0023824221729492 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -1.4083287699171704e-05 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0033365687141081 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0283543757210004 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0039668487678361 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0032691295431408 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0067186132118437 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0021414560766456 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0110172247000036 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "k_ij": 0.0062772961061054 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0135777279601537 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0040878674469119 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.02136544618758 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0097366058411444 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0037449655706751 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0043022960552494 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0120107380191893 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0072077127999565 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0105595490956251 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "96-18-4", - "name": "1,2,3-trichloropropane", - "iupac_name": "1,2,3-trichloropropane", - "smiles": "ClCC(Cl)CCl", - "inchi": "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2" - }, - "k_ij": 0.0342003490236779 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0036199314134237 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0412341132604568 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "502-56-7", - "name": "5-nonanone", - "iupac_name": "nonan-5-one", - "smiles": "CCCCC(=O)CCCC", - "inchi": "InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0052857915303822 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "k_ij": 0.0751304892756779 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0036502303374855 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.0015199906814927 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0041917582183865 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0031520890928025 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1019656519690154 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": -0.0215204086662183 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0480704567262774 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1530511697041998 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.1143622359329403 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0010225099660882 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0047141980396748 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0204263333848846 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0114287850806364 - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "542-69-8", - "name": "1-iodobutane", - "iupac_name": "1-iodobutane", - "smiles": "CCCCI", - "inchi": "InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0042441772494376 - }, - { - "id1": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0151509222904293 - }, - { - "id1": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "id2": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "k_ij": 0.0153026731425862 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "k_ij": 0.0005471005424472 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "k_ij": 0.0426691651611853 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "k_ij": 0.0080392307289335 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": -0.0034495828674235 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0110133136978411 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0051404611865086 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "k_ij": 0.0042711489557142 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": 1.2765501863634349e-05 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": 0.0071430420909169 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1596133363589542 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0080290287820373 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0308083564478687 - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "288-32-4", - "name": "1h-imidazole", - "iupac_name": "1h-imidazole", - "smiles": "c1c[nH]cn1", - "inchi": "InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)" - }, - "k_ij": 0.0508432091352804 - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": -0.0058018807821462 - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1615408263613566 - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0335875064642999 - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1064820928802556 - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "k_ij": -0.1224669638391355 - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "smiles": "c1ccc2[nH]ccc2c1", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "k_ij": 0.0222173058261896 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0497955325199492 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.014925234679701 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0173153829598757 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "k_ij": 0.0311044258279356 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0627261423582754 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0527501313823568 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.1072686122071363 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": -0.2247244424147098 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0559200591599526 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.030282239865522 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -2.52771173299792e-05 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0964829105132864 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0781250905791114 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0469714335031663 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0539191998246616 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.035930163869387 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0691264389571124 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0354987644944841 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0452006192713497 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0159473671673194 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0505600756643017 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0383171065350721 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "k_ij": -0.0981114507883244 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "k_ij": -0.1207315020492342 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0008120433482057 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": -0.1928465538438353 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": 0.0030552000334924 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": 0.0358607208970762 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "50-00-0", - "name": "formaldehyde", - "iupac_name": "formaldehyde", - "smiles": "C=O", - "inchi": "InChI=1S/CH2O/c1-2/h1H2" - }, - "k_ij": -0.9711057554632678 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.0021256895345186 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": 0.0052539001787346 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0409928990253048 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0664160303643396 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "k_ij": 0.011433695308834 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": -0.0589822642557277 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "k_ij": 0.0076460730963284 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.057909149934863 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0133783209943665 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": 0.0503845009834101 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "k_ij": 0.0223127407029624 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0408272672212906 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "k_ij": 0.0419478362445906 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0381477984996764 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.005828533095604 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0318975422017275 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0015249333526959 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0262899084436005 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0366089474301569 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0215470012461283 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": 0.0213683683398184 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": 0.0223484330811335 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "k_ij": 0.0494277035585609 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0438823590743509 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0327090036694939 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0146333195761091 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": 0.1342005376433255 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.0977687400154915 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": 0.015238234285614 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0265636482892874 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0069454847395373 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "k_ij": 0.1262174266047767 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0817424332890834 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0757449326826125 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "k_ij": 0.0385234784704362 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": 0.0236282302784387 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0610708469468796 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0524799383189789 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.0037875647432595 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "k_ij": 0.056712388863259 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "k_ij": 0.0808578874991162 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0510800946608389 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "90-15-3", - "name": "1-naphthol", - "iupac_name": "naphthalen-1-ol", - "smiles": "Oc1cccc2ccccc12", - "inchi": "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" - }, - "k_ij": -0.0860969859602617 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.0450097690719348 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0387508686883011 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0416506529610105 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": 0.0635551550973241 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0382786935461746 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": 0.0496779731916342 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0406605083712949 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "k_ij": 0.042094215450638 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "k_ij": 0.0624526048175904 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "k_ij": 0.0108207862063585 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "k_ij": -0.1271257734340055 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "625-65-0", - "name": "2,4-dimethyl-2-pentene", - "iupac_name": "2,4-dimethylpent-2-ene", - "smiles": "CC(C)=CC(C)C", - "inchi": "InChI=1S/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.040361974408671 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": 0.0575690514400583 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.0248495463394757 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": 0.0173988471093378 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "k_ij": 0.0614872288439303 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "k_ij": 0.0568971747303909 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "k_ij": 0.0502721743873227 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "k_ij": -0.1137436490301622 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-62-9", - "name": "methyl oleate", - "iupac_name": "methyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-" - }, - "k_ij": 0.0063426970725486 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0385257546856414 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0272942607468862 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0020730843558579 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.0204915124541505 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "k_ij": -0.000756905265503 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0292493187601403 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "k_ij": 0.0109681010891551 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": -0.0276571921787015 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "k_ij": 0.0955191696565111 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "563-78-0", - "name": "2,3-dimethyl-1-butene", - "iupac_name": "2,3-dimethylbut-1-ene", - "smiles": "C=C(C)C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3" - }, - "k_ij": 0.0549498072258278 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "k_ij": 0.0431936529503765 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "k_ij": -0.0250196539459294 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-72-1", - "name": "1-tetradecanol", - "iupac_name": "tetradecan-1-ol", - "smiles": "CCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3" - }, - "k_ij": 0.057738889725478 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "k_ij": 0.0208862678128628 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0332255041127105 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": 0.0236638132369779 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1574-41-0", - "name": "cis-1,3-pentadiene", - "iupac_name": "(3z)-penta-1,3-diene", - "smiles": "C=C/C=C\\C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-" - }, - "k_ij": 0.0339381591290252 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0218346331046968 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0037767995195966 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0199710927397329 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0140710416450696 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0187551395997406 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": -0.0484975854738911 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": -0.062885084765099 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": -0.1062853564106691 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "k_ij": 0.027380279292227 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0121899514395091 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0542296670052079 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0376296879553831 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "k_ij": 0.0442320124532228 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0424426011760487 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" - }, - "k_ij": -0.0462318058496729 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0315266574562397 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.1190070519966434 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "156-87-6", - "name": "3-amino-1-propanol", - "iupac_name": "3-aminopropan-1-ol", - "smiles": "NCCCO", - "inchi": "InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2" - }, - "k_ij": -0.1808808125037716 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "k_ij": 0.0221408062436713 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "359-11-5", - "name": "trifluoroethene (r1123)", - "iupac_name": "1,1,2-trifluoroethene", - "smiles": "FC=C(F)F", - "inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0283689706458533 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "k_ij": 0.0552646663202075 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1000-63-1", - "name": "butyl tert-butyl ether", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]butane", - "smiles": "CCCCOC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3" - }, - "k_ij": 0.0134532718733714 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "k_ij": 0.0454561830304286 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "k_ij": 0.0857545918559429 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0366599026136711 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "k_ij": 0.006153023066299 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "k_ij": 0.0323860458807559 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "k_ij": -0.0120757578390999 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "13463-40-6", - "name": "iron pentacarbonyl", - "iupac_name": "carbon monoxide; iron", - "smiles": "[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]", - "inchi": "InChI=1S/5CO.Fe/c5*1-2;" - }, - "k_ij": 0.0476880758066288 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "k_ij": 0.025142407240523 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "765-30-0", - "name": "cyclopropylamine", - "iupac_name": "cyclopropanamine", - "smiles": "NC1CC1", - "inchi": "InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2" - }, - "k_ij": -0.0862839920187242 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "594-91-2", - "name": "perfluoro-2-methyl-butane", - "iupac_name": "1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)butane", - "smiles": "FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C5F12/c6-1(3(9,10)11,4(12,13)14)2(7,8)5(15,16)17" - }, - "k_ij": -0.0786419402561597 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "k_ij": 0.0287399860947393 - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "62108-41-2", - "name": "2-methoxy-2,4,4-trimethylpentane", - "iupac_name": "2-methoxy-2,4,4-trimethylpentane", - "smiles": "COC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C9H20O/c1-8(2,3)7-9(4,5)10-6/h7H2,1-6H3" - }, - "k_ij": 0.0179610251759116 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0019321866792727 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0040621054437656 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": 0.0315547750037059 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.037201195384529 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0063604362519292 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0015821511047905 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0057196855332718 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0058963987930778 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0219335008660688 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0020786372548037 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "k_ij": 0.0747077657033706 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "3221-61-2", - "name": "2-methyloctane", - "iupac_name": "2-methyloctane", - "smiles": "CCCCCCC(C)C", - "inchi": "InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3" - }, - "k_ij": -0.0080209606588056 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0086860808475656 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0050179466008699 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "592-27-8", - "name": "2-methylheptane", - "iupac_name": "2-methylheptane", - "smiles": "CCCCCC(C)C", - "inchi": "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "k_ij": -6.177926063336754e-06 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0051384620509703 - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0099192285043498 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.002081264274945 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0052562433766889 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0390933104502806 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0026513346539399 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0128028126728798 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0093242452294088 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0162361420740655 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0072953527625277 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0275345580237334 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0002190233937744 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "k_ij": 0.0757719677071241 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0086998601558896 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0051594712050557 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0359723340443148 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.092281821455401 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.004522171315441 - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0151869628395429 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0237560912203798 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0093542814947258 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 0.0060937623561234 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.1252379419007144 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0104715645982427 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0233661813564002 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0124965611307096 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0012111134143666 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0163749453605608 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0333183360827141 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0732686959571776 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0247175998574903 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0201476913099153 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "k_ij": 0.0414291773241619 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "14850-23-8", - "name": "trans-4-octene", - "iupac_name": "(e)-oct-4-ene", - "smiles": "CCC/C=C/CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+" - }, - "k_ij": 0.0239925767972493 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "1704-62-7", - "name": "2-(2-dimethylaminoethoxy) ethanol", - "iupac_name": "2-[2-(dimethylamino)ethoxy]ethanol", - "smiles": "CN(C)CCOCCO", - "inchi": "InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3" - }, - "k_ij": 0.0143670450929777 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "7642-15-1", - "name": "cis-4-octene", - "iupac_name": "(z)-oct-4-ene", - "smiles": "CCC/C=C\\CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-" - }, - "k_ij": 0.0328679816331614 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0133195540391329 - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0433456755445049 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0457740472382771 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0373074388735661 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0358612886432686 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 0.0163504717314412 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0128310516551885 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0329325819294904 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0162927832280234 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0202581189578267 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0263149106307931 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.02772068480629 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": -0.0218220926396392 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0228177414012649 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "k_ij": 0.0531542272804455 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.0509094574344526 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.0072606203083104 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "k_ij": -0.0603228589902929 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "k_ij": 0.0088536717270637 - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "109-02-4", - "name": "n-methylmorpholine", - "iupac_name": "4-methylmorpholine", - "smiles": "CN1CCOCC1", - "inchi": "InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3" - }, - "k_ij": 0.0074912876579126 - }, - { - "id1": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": -0.0480303843521087 - }, - { - "id1": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "k_ij": -0.0765253603290233 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "k_ij": 0.0017262194123336 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": 0.0160885645385421 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0246668706882521 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.0072530738488419 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0031594287270536 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0097947630851961 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0024134585889766 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": -0.0063645229822188 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.0052856913178052 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": -0.0013913117697523 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "k_ij": 0.0023574578132372 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1497432325212547 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0452048513219405 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.019662708693071 - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "536-78-7", - "name": "3-ethylpyridine", - "iupac_name": "3-ethylpyridine", - "smiles": "CCc1cccnc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3" - }, - "k_ij": -0.0002519846818696 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0233645307578783 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": -0.015390158097727 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0073145437524587 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0086189057655523 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0169681439611055 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0033878615055684 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0019711827496538 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.006750398443226 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.006687655709782 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0141498515028656 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.003707769613521 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0205275898407803 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0033659695622169 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0159710191710287 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.1181693277046931 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": -0.0219921538910638 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "108-83-8", - "name": "diisobutyl ketone", - "iupac_name": "2,6-dimethylheptan-4-one", - "smiles": "CC(C)CC(=O)CC(C)C", - "inchi": "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "k_ij": 0.0117884005898876 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0068067065180347 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": -0.0297993679169482 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "k_ij": 0.01377264944401 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0687704998075323 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0014913856345374 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0057663187606338 - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "k_ij": 0.0146920876639064 - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0537106498170933 - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0942579953539707 - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.0085527703848175 - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0305254373767856 - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0009619901011415 - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0052055892860975 - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 8.392082616365182e-06 - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.1104576456542252 - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0031921682652857 - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0055464535947666 - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0005063969080593 - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "k_ij": -0.0355019580882137 - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "100-48-1", - "name": "4-cyanopyridine", - "iupac_name": "pyridine-4-carbonitrile", - "smiles": "N#Cc1ccncc1", - "inchi": "InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H" - }, - "k_ij": -0.0070546476274059 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0282965395168826 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": -0.0251608153947268 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": -0.0227767705968411 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0260406906919619 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0064434950463342 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0504488011794731 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.054543243027166 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.1077006306578568 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0240070481822185 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0213125802708701 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0304296295898982 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0136512074120318 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0170797854128426 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0263474103760897 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0260743710600551 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0020713209848863 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0118074121389206 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0932561935471459 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0714132704029141 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "k_ij": -0.0023737441201387 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": 0.0022321582468008 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "k_ij": 0.0064222698047787 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.1468535389601402 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0049553214992353 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0395300717654888 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0334750631334474 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.0834584071737386 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0113670040865861 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.0048737738494643 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0094838868668538 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0085910999172389 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0185005732812331 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0120946960191387 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": -0.0361346669618266 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "17071-47-5", - "name": "butyl isobutyl ether", - "iupac_name": "1-(2-methylpropoxy)butane", - "smiles": "CCCCOCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "k_ij": 0.0033897580214798 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "k_ij": 0.0053354681472833 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0297898064597857 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0068098341978182 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": 0.0096659307962676 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": 0.0113072655534887 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0059125248595079 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0072298553115198 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0388816747977977 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0590177588777869 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0438987169684459 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": 0.0135879125141895 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0256164531793982 - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "k_ij": 0.031036555515844 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0248825548252282 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 0.0055551535322289 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0164376230733912 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0008178276373586 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0025019821676367 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0014644122242513 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "k_ij": 0.0034252799815436 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "k_ij": 0.0350738737558017 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": -0.0170194492786345 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "95-13-6", - "name": "indene", - "iupac_name": "1h-indene", - "smiles": "C1=Cc2ccccc2C1", - "inchi": "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" - }, - "k_ij": 0.0049624122914327 - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0510080373403597 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": 0.0091963155245457 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "112-88-9", - "name": "1-octadecene", - "iupac_name": "octadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3" - }, - "k_ij": 0.0062926331594602 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": 0.0224914143768802 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0219093758601531 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "k_ij": -0.0039758960563717 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0019136255113026 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0040345524445598 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0398139731834394 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": -1.8423492119659625e-05 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "k_ij": 0.0154637211908753 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "112-34-5", - "name": "diethylene glycol monobutyl ether", - "iupac_name": "2-(2-butoxyethoxy)ethanol", - "smiles": "CCCCOCCOCCO", - "inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" - }, - "k_ij": -0.0161087242896255 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": -0.0104265394151198 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": -0.0106851404104016 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "496-11-7", - "name": "indane ", - "iupac_name": "2,3-dihydro-1h-indene", - "smiles": "c1ccc2c(c1)CCC2", - "inchi": "InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2" - }, - "k_ij": 0.0096284168277435 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1366647403365538 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0033350691555922 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0521688008841542 - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": 0.0123130968190431 - }, - { - "id1": { - "cas": "54-11-5", - "name": "l-nicotine", - "iupac_name": "3-[(2s)-1-methylpyrrolidin-2-yl]pyridine", - "smiles": "CN1CCC[C@H]1c1cccnc1", - "inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0358471525113265 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.036084184227331 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0194433257267624 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0209957571783806 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.007841321198439 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0053203734649377 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0451108663442851 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": -0.049266246824095 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0461448985888318 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0046505705090264 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "k_ij": -0.0020748819800319 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0185237808749974 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0199968176646546 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "k_ij": -0.0076225656646195 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": -0.051617436143802 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": -0.04617247720069 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": -2.798261522626488e-05 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0438429631048608 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": 0.0038138103413719 - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0183997635303029 - }, - { - "id1": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0037686271016365 - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0341443353925589 - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0273558845222123 - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0167486028162084 - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "k_ij": -0.0132040323582238 - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0127445391619982 - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0054643785541945 - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "k_ij": -0.0070434415963949 - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.125683428753817 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "k_ij": 0.0011410789815017 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "k_ij": 0.0175462770849148 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": 0.0342843582881324 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.002842295456866 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0159619970443181 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0304733306807014 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0376564688617173 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.047856299511973 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": 0.0254119410010088 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0453833289313002 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0026891030855274 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0121724649419428 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0091243478489599 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0099536245222664 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.1297461152737075 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0004440479098866 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0050338126668502 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0095799599130816 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0252732474993006 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0154754043713671 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.0361886766817076 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0607870275727263 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": 0.016441647117732 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0005784807935937 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0331876653570826 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "k_ij": -0.0016410577512634 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "k_ij": 0.0024835441267246 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0310696144548394 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0326448715931157 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0880156108028107 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0177578875855373 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 0.0273017288445059 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0786119265882686 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": -0.0099147755144482 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0214374536173965 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": 0.0065776387126816 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.0367084928102198 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0026848265527276 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": 0.0086305016400807 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0096808930125171 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0071098888949413 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "k_ij": 0.0017081557443769 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": 0.009500419694871 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 0.0062900157475533 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0208340992015083 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "k_ij": -0.0120525586573124 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0394787494688539 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "k_ij": 0.0004477723236545 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0401816257345351 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0288903573483389 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0212420893149675 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0622471584723122 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0019177425692332 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0405847167862676 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "100-44-7", - "name": "benzyl chloride", - "iupac_name": "chloromethylbenzene", - "smiles": "ClCc1ccccc1", - "inchi": "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" - }, - "k_ij": 0.0178582070132792 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0001799855849569 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": 0.0176476370321921 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "k_ij": 0.0077090141892628 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "k_ij": 0.0078341349688348 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0115467903704179 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0067416277483151 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "13389-42-9", - "name": "trans-2-octene", - "iupac_name": "(e)-oct-2-ene", - "smiles": "C/C=C/CCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+" - }, - "k_ij": 0.0004016027717048 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "14850-23-8", - "name": "trans-4-octene", - "iupac_name": "(e)-oct-4-ene", - "smiles": "CCC/C=C/CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+" - }, - "k_ij": 0.0006342965450207 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "k_ij": 0.0055360531850249 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "624-24-8", - "name": "methyl valerate", - "iupac_name": "methyl pentanoate", - "smiles": "CCCCC(=O)OC", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0228141685768324 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0148116324353865 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "7642-04-8", - "name": "cis-2-octene", - "iupac_name": "(z)-oct-2-ene", - "smiles": "C/C=C\\CCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3-" - }, - "k_ij": 2.766465982928312e-05 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "14850-22-7", - "name": "cis-3-octene", - "iupac_name": "(z)-oct-3-ene", - "smiles": "CC/C=C\\CCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5-" - }, - "k_ij": 2.630736880331162e-05 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "7642-15-1", - "name": "cis-4-octene", - "iupac_name": "(z)-oct-4-ene", - "smiles": "CCC/C=C\\CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-" - }, - "k_ij": 0.0014959305481342 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "k_ij": 0.0008636851760953 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0125560181007789 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1335499122718075 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.020364859394524 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0202630100028752 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0199491810501648 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0066963533023877 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.1017631232788942 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": 0.1350811907690865 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0175468029174459 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "k_ij": 0.0150919427092398 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "1187-58-2", - "name": "n-methyl propanamide", - "iupac_name": "n-methylpropanamide", - "smiles": "CCC(O)=NC", - "inchi": "InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)" - }, - "k_ij": 0.0323312634153255 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0721487482901415 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0304593253664034 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "k_ij": 0.0156128741417442 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0023933946553126 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0368673131892408 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "638-49-3", - "name": "amyl formate", - "iupac_name": "pentyl formate", - "smiles": "CCCCCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3" - }, - "k_ij": 0.0251433534343634 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0067555468391769 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "k_ij": 0.0113562512491359 - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "k_ij": 0.004247743588863 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0059844603645212 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.0018223434739301 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -0.0026943788719372 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.056956725367089 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0108187937615182 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0507345003590391 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0105496677093563 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": -0.0087159166307515 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0336418236802649 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": -0.0039445146501315 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0190493926265006 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0157407744414807 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0055651770658194 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "589-81-1", - "name": "3-methylheptane", - "iupac_name": "3-methylheptane", - "smiles": "CCCCC(C)CC", - "inchi": "InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3" - }, - "k_ij": 0.0048161031999192 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "k_ij": 0.003688987438167 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 0.0137151265966761 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0108243182768172 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1306482807023319 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0205364323588059 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0832825994605696 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0132398824161923 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0216723723444321 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0052195989939491 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0159789779333093 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "542-69-8", - "name": "1-iodobutane", - "iupac_name": "1-iodobutane", - "smiles": "CCCCI", - "inchi": "InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0059482002249431 - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "2998-08-5", - "name": "sec-butylacrylate", - "iupac_name": "butan-2-yl prop-2-enoate", - "smiles": "C=CC(=O)OC(C)CC", - "inchi": "InChI=1S/C7H12O2/c1-4-6(3)9-7(8)5-2/h5-6H,2,4H2,1,3H3" - }, - "k_ij": 0.0211729773735675 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "k_ij": -0.0007623614983617 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0083058651562102 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 0.0007054803336108 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "k_ij": 0.0427214257504781 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0162815990654005 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0235684777535242 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0008357376954216 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.023374908387921 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0145872460879033 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0836797473643909 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0246196297119442 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0114862075786789 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0075682180795649 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0763634419413481 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.005634787975332 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "k_ij": 0.0203344888829294 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0426954669478366 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0230004917469949 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "k_ij": 0.0066305336231951 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "821-95-4", - "name": "1-undecene", - "iupac_name": "undec-1-ene", - "smiles": "C=CCCCCCCCCC", - "inchi": "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3" - }, - "k_ij": 0.0173723232861412 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0295046513743436 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "k_ij": -0.0105756565362405 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "k_ij": -0.045670464900092 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(C)=O", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3" - }, - "k_ij": -0.0408626859698896 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "smiles": "CCCCCCC(C)=O", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3" - }, - "k_ij": -0.0507839409567665 - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0122263282716119 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0014649317292142 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 0.0116384709681291 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0293340342973087 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0101389285249349 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0489071251328918 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0187066067054502 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0027420032085186 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0201037833133337 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0300834307730439 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0186254150678105 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.1766394697786146 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0089176061422846 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "k_ij": 0.0303617918535178 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "k_ij": 0.0368306219272837 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "k_ij": 0.020701404630611 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.1339046143752752 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "120-80-9", - "name": "1,2-dihydroxybenzene ", - "iupac_name": "benzene-1,2-diol", - "smiles": "Oc1ccccc1O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "k_ij": -0.0019267165228739 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-44-1", - "name": "m-methylaniline", - "iupac_name": "3-methylaniline", - "smiles": "Cc1cccc(N)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" - }, - "k_ij": -0.0104469951014941 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "k_ij": -0.0922056817936412 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0802796161315335 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-49-0", - "name": "p-methylaniline", - "iupac_name": "4-methylaniline", - "smiles": "Cc1ccc(N)cc1", - "inchi": "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3" - }, - "k_ij": -0.0133884498296736 - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "150-76-5", - "name": "p-methoxyphenol", - "iupac_name": "4-methoxyphenol", - "smiles": "COc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3" - }, - "k_ij": 0.029554005559839 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0066884452740888 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0287249923486227 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "k_ij": 0.0331583967749949 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0315921360618388 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0115205782762614 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0105223515581061 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0244262412617955 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "678-26-2", - "name": "perfluoropentane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17" - }, - "k_ij": 0.0830279411498287 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -5.038627335618451e-05 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.011679652666684 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0188116347581986 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": 0.0571972632935763 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "k_ij": 0.0076388088495455 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "k_ij": 0.0073236434708312 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0051714654516366 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "k_ij": 0.0081505053231337 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0324192692531879 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 0.019362355045931 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0714662533810949 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": 0.0128432960767629 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0187104334300267 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "k_ij": 0.0167753178421956 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": 0.0012397099018015 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0056796304989058 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": 0.0162377320893321 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": 0.0332079584069721 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": 0.0339308781441709 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0321226140709988 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0566926552981165 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0483460192018068 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "k_ij": 0.0004174528056441 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "k_ij": 0.0223607596540155 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0003680781373508 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "110-53-2", - "name": "1-bromopentane", - "iupac_name": "1-bromopentane", - "smiles": "CCCCCBr", - "inchi": "InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0171090576295791 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "1809-10-5", - "name": "3-bromopentane", - "iupac_name": "3-bromopentane", - "smiles": "CCC(Br)CC", - "inchi": "InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3" - }, - "k_ij": 0.0181344511809062 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.0289170534577367 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0275155545206935 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "k_ij": 0.0176035540712978 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.0165523218812352 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": 7.890057921689023e-06 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0066360232795555 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0627353930516988 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": 0.0273211108731116 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "k_ij": 0.0026461938117646 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1348786037112 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0006538552263828 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0117020648218301 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1140329941670526 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" - }, - "k_ij": -0.0080182616806064 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0174159658077008 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0299961032139386 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.101006304661285 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0330835501282738 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "k_ij": -0.0027006856915385 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0096013922673272 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "k_ij": 0.0631104876070104 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": 0.0963866128736569 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "k_ij": 0.0872458451747182 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "756-13-8", - "name": "dodecafluoro-2-methylpentan-3-one", - "iupac_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one", - "smiles": "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18" - }, - "k_ij": 0.0723723603721614 - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.0716015234276784 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": -0.0344384188495128 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0081635736061501 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0406090040140504 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0110581895578724 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.109899811802388 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0020928693691696 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0170239223707383 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0104301103716261 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0222681289011897 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0164887743986253 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.003462902574505 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0103537826678674 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "k_ij": -0.0298139901273367 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0316335934285105 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.007166019911999 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0027583147400091 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "k_ij": 0.0075270970754455 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0107895186375349 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.005727247531625 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0021937989585436 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0164144461538949 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0150668297354172 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": 0.0218249610567298 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0163414637570937 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.002735761934591 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.0029729421709503 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "k_ij": 0.0147734482572192 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0381742460097197 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0666211347442194 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0110888761904838 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": -0.0279444757352779 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "k_ij": -0.0202140548566136 - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "110-66-7", - "name": "1-pentanethiol", - "iupac_name": "pentane-1-thiol", - "smiles": "CCCCCS", - "inchi": "InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0322778866426509 - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0010857852135099 - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0354754488228876 - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 2.839365998455278e-05 - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0043117541073473 - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0500726642635417 - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0029127072048177 - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0016202416306853 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0263962270396818 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": 0.0041370493297575 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.0898209442154899 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 0.0047756389958414 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "k_ij": 0.0571107179572924 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0240129304292859 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0223539886721515 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.1173078586200437 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0077275361131115 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": -0.1782093593111556 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.068501038664501 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0952270059044267 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": -0.0409038538338991 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-47-4", - "name": "2,4-dimethylpyridine", - "iupac_name": "2,4-dimethylpyridine", - "smiles": "Cc1ccnc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "k_ij": -0.0965194217857458 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0336047000422485 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0745377450732586 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0137270712017741 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "124-11-8", - "name": "1-nonene", - "iupac_name": "non-1-ene", - "smiles": "C=CCCCCCCC", - "inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3" - }, - "k_ij": 0.0180632025076346 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "k_ij": -0.0223571192556122 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0155814368296022 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 0.0187388232456055 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0508218240870638 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "k_ij": -0.1838998798807441 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "k_ij": 0.028357189500127 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "k_ij": -0.0045350884841863 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0409918436703663 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "502-56-7", - "name": "5-nonanone", - "iupac_name": "nonan-5-one", - "smiles": "CCCCC(=O)CCCC", - "inchi": "InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0445872627747413 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.126027835330018 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "k_ij": 0.0357307905080126 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0463761093622329 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0171782639847487 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "k_ij": 0.0178926198522753 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": -0.1000053259938036 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "k_ij": -0.0861020666763285 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": -0.1325727499652738 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "821-95-4", - "name": "1-undecene", - "iupac_name": "undec-1-ene", - "smiles": "C=CCCCCCCCCC", - "inchi": "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3" - }, - "k_ij": 0.028788992012523 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0478404676644179 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "k_ij": -0.074806017223532 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "98-06-6", - "name": "tert-butylbenzene", - "iupac_name": "tert-butylbenzene", - "smiles": "CC(C)(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" - }, - "k_ij": 0.0222921851090342 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "k_ij": -0.1136305547585216 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": -0.0571256068706622 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "k_ij": -0.0485309491614122 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(C)=O", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3" - }, - "k_ij": -0.0424540234845203 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "smiles": "CCCCCCC(C)=O", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3" - }, - "k_ij": -0.055594468605177 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0771000189723157 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "k_ij": 0.0007967341826429 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "88-18-6", - "name": "2-tert-butylphenol", - "iupac_name": "2-tert-butylphenol", - "smiles": "CC(C)(C)c1ccccc1O", - "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3" - }, - "k_ij": 0.0062830884751438 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "k_ij": 0.0183547167577447 - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "599-64-4", - "name": "p-cumylphenol", - "iupac_name": "4-(2-phenylpropan-2-yl)phenol", - "smiles": "CC(C)(c1ccccc1)c1ccc(O)cc1", - "inchi": "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3" - }, - "k_ij": 0.0174809407272963 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "k_ij": -0.0490199679682836 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "k_ij": 0.0430957811904151 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "k_ij": 0.0301028832295012 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0973004745701117 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0117649774560854 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0362373641166076 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0333349855023507 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0473187202287298 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0263551834462297 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0275664605800177 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0395389032796834 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0392605000495965 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "k_ij": -0.0707022519397222 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.032912602056009 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.099338605235411 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0790430282754387 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "k_ij": 0.0183619998726265 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": -0.0183530094936436 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": -0.0066213174027423 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0488972870732318 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0165270814232928 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0325624606893383 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0857892043100958 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0147098655619514 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0252486415139602 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": 0.0225025236197827 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": -0.0409695077231333 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0137525870097273 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0472117149547413 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.0756308969109813 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0001971867111393 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "k_ij": 0.1070318061383195 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0365847725552186 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0232046533488239 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0030216407911973 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "k_ij": -0.0765086684501538 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0346469102504254 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0107061495036991 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0185648842838815 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.0201050063923978 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0050397698666739 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0156388941369928 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0169859773325353 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 0.0356564868507783 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "k_ij": 0.0401472380725532 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "k_ij": 0.0236660331062671 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0210998499130793 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "3452-09-3", - "name": "1-nonyne", - "iupac_name": "non-1-yne", - "smiles": "C#CCCCCCCC", - "inchi": "InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3" - }, - "k_ij": 0.0175152979584123 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0124276996838045 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0331123897948562 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": 0.0294329010920617 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0195251940447594 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0430805306038072 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "k_ij": 0.0199130329873845 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": 0.0146307541199419 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "k_ij": 0.038679819385549 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.034834368900726 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0297351533348367 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": -0.0301136255038565 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0435238723721073 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0393210488046103 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0029536468488317 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": -0.0292996146467932 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "k_ij": 0.0132340223140088 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" - }, - "k_ij": -0.0294263277449605 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0291442021750415 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "156-87-6", - "name": "3-amino-1-propanol", - "iupac_name": "3-aminopropan-1-ol", - "smiles": "NCCCO", - "inchi": "InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2" - }, - "k_ij": -0.2111277204199051 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "k_ij": -0.0284172994569522 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "k_ij": 0.0869332823989506 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "k_ij": 0.0129168394029253 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.030138249686047 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "29171-20-8", - "name": "3,7-dimethyl-6-octen-1-yn-3-ol", - "iupac_name": "3,7-dimethyloct-6-en-1-yn-3-ol", - "smiles": "C#CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3" - }, - "k_ij": 0.0195150008790169 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "k_ij": 0.0123024176220203 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0051003220085768 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "k_ij": 0.0082828139983086 - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "k_ij": 0.0050664118309213 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "k_ij": -0.087385836205739 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0645358360664848 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0352259105663562 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": -0.0413135765250283 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0496208417562048 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0495577017413339 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": -0.0086254977326746 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.000981690784002 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0069921544559967 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0104742803325532 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": -0.0411447630755798 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "k_ij": -0.0183397304135232 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0106626272069155 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0067564288238326 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0065541399884914 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0181871439318146 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0264397020507058 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.0032125957485872 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0097428920035343 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0497938684037255 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "k_ij": -0.0095088780175619 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0554050942456939 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.0230260930886628 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": 0.0005046556707637 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0112466504914601 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0060388003545141 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "k_ij": -0.1486625339008296 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0500406146061991 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0463891011572756 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": -0.0440903038172942 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0334866732697318 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0639400436220369 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": -0.1154227858516817 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "105-68-0", - "name": "isoamyl propionate", - "iupac_name": "3-methylbutyl propanoate", - "smiles": "CCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3" - }, - "k_ij": 0.0103580581148043 - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "123-62-6", - "name": "propionic anhydride", - "iupac_name": "propanoyl propanoate", - "smiles": "CCC(=O)OC(=O)CC", - "inchi": "InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0067555979969104 - }, - { - "id1": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0038057430800066 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0093819251779894 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0138059271958558 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0024521040687309 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0188388468519924 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 1.465353657358376e-05 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "k_ij": -0.0088814209242285 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0212884848896963 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.010579243077491 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "smiles": "C=C(C)CCC", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "k_ij": 0.0211760696799513 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": 0.00499940169634 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "k_ij": -0.0049742131750212 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0048666756040552 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": 0.0236098007634326 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0241520717772999 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0133792764465635 - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0013069234366351 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "k_ij": -0.0068876996494637 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0323571898329521 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "k_ij": 0.0104707241072595 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0044554422491421 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0009513873550635 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0194712999984992 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.025244904984246 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.005981328212946 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0038950535219862 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0121716236523612 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -2.828439893140073e-05 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "k_ij": -0.027167809288651 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -2.4530869131062205e-05 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": -0.0017164054792184 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": -0.0053030313007199 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0013840594391524 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0077444026811647 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 0.0051853376514985 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0256566770227468 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0088615297307091 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0027202487225663 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0655112692748558 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0291412841696386 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0216902544195885 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.1968942404582457 - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "k_ij": -0.0441342005269228 - }, - { - "id1": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0046942120704315 - }, - { - "id1": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0078329868063303 - }, - { - "id1": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0166697814369613 - }, - { - "id1": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1206908103103582 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.0065233317347194 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0155689423241552 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.078309559880669 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "k_ij": 0.0279836554498105 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": 0.0704634800252935 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": 0.0100883892900127 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "k_ij": -0.0037389600206559 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0083956133258431 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1581375402281546 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1105348840294838 - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "k_ij": 0.0223536470072921 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0045569864081938 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0019275307077707 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0024604926016235 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0222729680268522 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0531434106973966 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0157471967135386 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0093245137180287 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.032375960410211 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0008346582468142 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "k_ij": 0.0181821338820655 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": 0.007003679203459 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 0.000452143617152 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0062703084645225 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0132953799677896 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "k_ij": 0.0284821064083991 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0093217275976457 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0064600125785755 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "95-13-6", - "name": "indene", - "iupac_name": "1h-indene", - "smiles": "C1=Cc2ccccc2C1", - "inchi": "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" - }, - "k_ij": 0.0091027427090947 - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0005838088119045 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": -0.0990050198037922 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": -0.01075331889927 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0003608684887544 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0190726204181253 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -0.0130646604481496 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0404403771690908 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0842521371830736 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0045510042413084 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0388654276453695 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "k_ij": -0.0300872687298778 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0031790101938243 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0201011520855839 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0083877994857247 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "k_ij": -0.0513561978504477 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.1192944508793365 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.1328981718991375 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0591949996464339 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": -0.0287164563642132 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": -0.0044403251662212 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "k_ij": -0.0102981052599424 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0199395074606529 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0227986184465253 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "k_ij": -0.0779518387353067 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": -0.0266783125350163 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0072246933219405 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "502-56-7", - "name": "5-nonanone", - "iupac_name": "nonan-5-one", - "smiles": "CCCCC(=O)CCCC", - "inchi": "InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0085589719962969 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": -0.0019019040254726 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.2247329266241534 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 9.665441423407796e-05 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "k_ij": -0.1298958910309356 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": -0.0345579422050102 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": -0.0307772323067168 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": -0.0308243363405808 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0270871644821873 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0099421633875065 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0262172619953475 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0173162361975068 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -0.0001420576184209 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0156121459451575 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0121638982707524 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "k_ij": -0.0420382768820821 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "29171-20-8", - "name": "3,7-dimethyl-6-octen-1-yn-3-ol", - "iupac_name": "3,7-dimethyloct-6-en-1-yn-3-ol", - "smiles": "C#CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3" - }, - "k_ij": -0.100631483807653 - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "k_ij": -0.0104370107224183 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "k_ij": 0.040044406666602 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0409840436686242 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0011372389743129 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.036475705577408 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.03632173378514 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0323553153798441 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0412154640556665 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0434577112006989 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": -0.029862274478072 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0095802397544274 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0027722424712141 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "k_ij": -0.056237578692748 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "k_ij": -0.0561320088342823 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0143214339227163 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0246704720981816 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.02775052448349 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0896611894921852 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 8.857125333177701e-06 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": -0.0153914085141427 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": -0.0383290573276478 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.016259563538475 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.025003820324678 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0421180263008907 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": 0.0206137082788467 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0141225598830192 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "k_ij": 0.0696580756449743 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.05621570412556 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - }, - "k_ij": 0.0306942977633998 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0333909350971967 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0028059744561923 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.004456368538016 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.0185777886689626 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": -0.0037038929493856 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0036400729743756 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0153837640295901 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0302415148511592 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0009640792314599 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.001382957523755 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0421347317938383 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.028051888629629 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0102714934714425 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0237144467488439 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0271839721505143 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "k_ij": -0.0088369739526052 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "k_ij": 0.0559164766496803 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "k_ij": 0.0408875813648211 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0066642864908106 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": 0.0225620714442519 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": 0.0199829907471309 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0252325830368885 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": 0.0262223816388978 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0070188438193658 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0094981025323076 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0238263865470307 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0319901565751656 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0485911576852373 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0260708450501876 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "k_ij": -0.0054732538753231 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": 0.0321513244402872 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0523577486448951 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "k_ij": 0.0090051692494005 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0113565880513717 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0065703892627497 - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "k_ij": 0.018365331208178 - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "k_ij": 0.0087211715550915 - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0077216835819332 - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0366649327207474 - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0144300478496743 - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": 0.0110450819158873 - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1460518860654409 - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0145795506218383 - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0113180614901482 - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "k_ij": 0.0155373964631412 - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "110-38-3", - "name": "decanoic acid ethyl ester", - "iupac_name": "ethyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0221064444203222 - }, - { - "id1": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": 0.017978181410363 - }, - { - "id1": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0012777534136911 - }, - { - "id1": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "k_ij": 0.0049728785824221 - }, - { - "id1": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1810949172470173 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0118170731750804 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0006977420797635 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0161383520107763 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "k_ij": -0.0117876808263701 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": -0.000741201937961 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": 0.0061811494837296 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": 0.0024140960863451 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0090999299788249 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "k_ij": 0.007913938718738 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "108-44-1", - "name": "m-methylaniline", - "iupac_name": "3-methylaniline", - "smiles": "Cc1cccc(N)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" - }, - "k_ij": 0.0158602228760179 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "k_ij": 0.005282144144124 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1392864614548662 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0338034250651136 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0141388505586015 - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "132-64-9", - "name": "dibenzo[b,d]furan", - "iupac_name": "dibenzofuran", - "smiles": "c1ccc2c(c1)oc1ccccc12", - "inchi": "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" - }, - "k_ij": 0.0056810873913945 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0118537627108343 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0014138322565917 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": -0.0143857815218933 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "k_ij": 0.0175938074001717 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": -0.0009721600465527 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0007780608246288 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0006795984688086 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "3522-94-9", - "name": "2,2,5-trimethylhexane", - "iupac_name": "2,2,5-trimethylhexane", - "smiles": "CC(C)CCC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3" - }, - "k_ij": 0.0005985282136293 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0028151924351481 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": 0.0010943077320895 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "k_ij": 0.03538564340459 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "k_ij": -0.0167860288566136 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0058075317401041 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0100065765186113 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": 0.0014793014832138 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.048811651672424 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0174560551798709 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0165171751862749 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0465987849578474 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": -0.0108633726535889 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0187659562315794 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": 0.0313911897123303 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0011540804584769 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "k_ij": -0.0018565062300809 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "k_ij": 0.0115321932858636 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.015887397049506 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0200906852931955 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "k_ij": 0.0106149300392188 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0100842271873238 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0081629139757126 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0219455752773796 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0143161006135698 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0037366358843332 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": -0.0074827073482632 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0226953477976923 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0058738074784635 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0130956573808681 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": -0.0072665444652468 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": -0.0045981453009983 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": 0.0077621971642215 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0069715574788049 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0020692436327503 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "k_ij": 9.680666546297302e-06 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0028711153183734 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "k_ij": 0.0280121251673607 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0087245584472983 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0335479841747753 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "k_ij": 0.0026550581673332 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": -0.0087280479814614 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "k_ij": -0.0170866292547532 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0003259155773047 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "k_ij": -0.0337428834668644 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": -0.0061675059787758 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0018470125142262 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "k_ij": -0.0049363418664738 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "112-14-1", - "name": "octyl acetate", - "iupac_name": "octyl acetate", - "smiles": "CCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3" - }, - "k_ij": 0.0333458676465746 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "597-49-9", - "name": "3-ethyl-3-pentanol", - "iupac_name": "3-ethylpentan-3-ol", - "smiles": "CCC(O)(CC)CC", - "inchi": "InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3" - }, - "k_ij": 0.0357438397608487 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "k_ij": 0.0171997034435747 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": 0.0118651866419821 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": 0.0136312057382837 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.006337979125941 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "k_ij": 0.0305179662339427 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(C)=O", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3" - }, - "k_ij": 0.0394905485798171 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-87-6", - "name": "2,2,2-trichloroacetaldehyde", - "iupac_name": "2,2,2-trichloroacetaldehyde", - "smiles": "O=CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" - }, - "k_ij": 0.0058907810880501 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1194269431789867 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0170850978286749 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": 0.0890941513880173 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": 0.0151780871887464 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -0.0075079028764546 - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "k_ij": 0.0126232584042778 - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.011149407067422 - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.2106477450596234 - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0169938007156481 - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0233593508170709 - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "k_ij": 0.0556987264596707 - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0247030052220958 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": -0.0075759802021837 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": -3.006324927809745e-05 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.0029061724753583 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0087215605207777 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0199465293275869 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0080750711514763 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0156666666755547 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0092042452691051 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0701823085702855 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": -0.0044681613263976 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "k_ij": -0.0021807576204222 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.024423886843877 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "k_ij": 0.0049205099057105 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0040257938080318 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0026951511506156 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": -0.0087167708374341 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0032530488625297 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0005280370142161 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.084829137366683 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0210581180120704 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": -0.0085518044134601 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": -0.0086234977532164 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": -7.037762909194005e-06 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0103172258508495 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.00211674618285 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0077956465358236 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0027503673064609 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": -0.0046154644417158 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0456973620131461 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0149384113707021 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": -0.1078291490981889 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0050463082468899 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": -0.0139403311704977 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.005410320061233 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0207656290714423 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0041556320465976 - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0125742220414154 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0040840030042318 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0022204084126368 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0056376910310112 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0183346853525985 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0582678768362278 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0035609640163398 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -1.5391874264956005e-05 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "k_ij": -0.0216184337804214 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": -0.0006670143319178 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "k_ij": -0.0103223506540886 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "k_ij": -0.0240371289339965 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0108433869951555 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0039955455090519 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "k_ij": -0.0061371880537107 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.043811912928235 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": -0.0101903148937727 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0518867780820107 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "78-94-4", - "name": "methyl vinyl ketone", - "iupac_name": "but-3-en-2-one", - "smiles": "C=CC(C)=O", - "inchi": "InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3" - }, - "k_ij": 0.0024652778291234 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0246651624209182 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": 0.0067039493489803 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0174358512122192 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": -0.0070518633013229 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "k_ij": 0.0497035476778243 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0114574962096582 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "k_ij": 0.0041442439145943 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0089945439554012 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0096620032530045 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0052208609603074 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "k_ij": 0.0015506406564674 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0113680704973532 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "124-70-9", - "name": "methyl vinyl dichlorosilane", - "iupac_name": "dichloro-ethenyl-methylsilane", - "smiles": "C=C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3" - }, - "k_ij": -0.0090593344654902 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0148868193811993 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "k_ij": 0.0232852529881729 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0071310122188561 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0241575272085589 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": 0.0067677359792984 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0027745758994211 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": -0.0045597775137065 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0431271144169204 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": -0.0032220755393908 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "k_ij": -0.0115072887684193 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.0319802780947118 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": -0.0197014030834657 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0048879690370327 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "k_ij": -0.0133094874451259 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "k_ij": -0.013941219690538 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0024255409617199 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "k_ij": -0.0235628423484328 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.003144090761743 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "k_ij": 0.0128256117138999 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0057698977358848 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "k_ij": 0.0126705026815099 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0241967243402561 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0071729536053805 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "k_ij": 0.0146649205581309 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": -0.0037445004670672 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0005317831193261 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0008096830330159 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "k_ij": -0.0132411961852464 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.0094231805873833 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0216859042311235 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.0067514339348793 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "k_ij": -0.0125867710398804 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0132801577933398 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": 1.0634743737350012e-05 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": 0.016543400863834 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "k_ij": -0.0053969156433325 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0029388251981818 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "k_ij": 0.0090622119174806 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0025437138497209 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0186911856542907 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "k_ij": 0.0074604346384454 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0272692853837855 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": -0.0081865757500663 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.0014360404422645 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0230224448045402 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "k_ij": 0.0330744534200189 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": 0.0008688855524712 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "k_ij": -0.0198546769238891 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "16219-75-3", - "name": "5-ethylidenebicyclo[2.2.1]hept-2-ene ", - "iupac_name": "5-ethylidenebicyclo[2.2.1]hept-2-ene", - "smiles": "CC=C1CC2C=CC1C2", - "inchi": "InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3" - }, - "k_ij": 0.0017907863264592 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "k_ij": -0.0177070390406123 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "k_ij": -0.0193802876935183 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-92-5", - "name": "2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane", - "iupac_name": "2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane", - "smiles": "C=C1C2CCC(C2)C1(C)C", - "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "k_ij": -0.0066521170131901 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0032047519239621 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0138811088713583 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "k_ij": -0.0109066812975787 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "k_ij": 0.0502400973848338 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "k_ij": 0.0011746984765886 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": 0.0088752334393984 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0047978346886355 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "k_ij": -0.0230585940575246 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "k_ij": 0.0056597910155177 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0218413974389737 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "k_ij": 0.0021062885270559 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0047361652381735 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": -0.0077416223442252 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "k_ij": -0.0121309921559142 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": -0.0088779574740522 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "k_ij": -0.0237920900440832 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "k_ij": -0.0079065838047748 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0060864879742876 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": -0.0002488645090402 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0025939489453192 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0101980894089454 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0004669772695241 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": 0.0100382531477806 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": -0.007854612455978 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "k_ij": 0.0066470634597358 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "706-31-0", - "name": "cis,trans,trans-1,5,9-cyclododecatriene", - "iupac_name": "cyclododeca-1,5,9-triene", - "smiles": "C1=C/CC/C=C/CC/C=C/CC/1", - "inchi": "InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7+,10-8+" - }, - "k_ij": 0.0023539160621771 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.004781380154059 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0009518557641836 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1251896331671769 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0004088123125924 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.014602392287529 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0140252439886356 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0124539546149028 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": 0.0567542269144293 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "k_ij": 0.0010559630606886 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": 0.0831989972294743 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "k_ij": 0.0135349574980319 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -0.0018415667695467 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0135433576232776 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0145462699646066 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": -0.0021428528684986 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "k_ij": -0.0236814753801799 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "k_ij": -0.0516244442080205 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.0230169813715188 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "96-43-5", - "name": "2-chlorothiophene", - "iupac_name": "2-chlorothiophene", - "smiles": "Clc1cccs1", - "inchi": "InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H" - }, - "k_ij": -0.0043160280635575 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0010979823221098 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0009918231820793 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0151292508465317 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "536-78-7", - "name": "3-ethylpyridine", - "iupac_name": "3-ethylpyridine", - "smiles": "CCc1cccnc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3" - }, - "k_ij": -0.0025718822386189 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0331313065655735 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "k_ij": -0.0289534921954089 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "105-45-3", - "name": "methyl acetoacetate", - "iupac_name": "methyl 3-oxobutanoate", - "smiles": "COC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3" - }, - "k_ij": 0.0191068089812675 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0034511346219356 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0310671366970385 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "97-85-8", - "name": "isobutyl isobutyrate", - "iupac_name": "2-methylpropyl 2-methylpropanoate", - "smiles": "CC(C)COC(=O)C(C)C", - "inchi": "InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3" - }, - "k_ij": -0.0060928435039078 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "k_ij": -0.0568572148551515 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "5891-21-4", - "name": "5-chloro-2-pentanone", - "iupac_name": "5-chloropentan-2-one", - "smiles": "CC(=O)CCCCl", - "inchi": "InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3" - }, - "k_ij": 0.0052699609005165 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "k_ij": 0.0609100438124664 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "103-09-3", - "name": "2-ethylhexylacetate", - "iupac_name": "2-ethylhexyl acetate", - "smiles": "CCCCC(CC)COC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3" - }, - "k_ij": -0.0088904011999102 - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-51-1", - "name": "p-tert-butyltoluene", - "iupac_name": "1-tert-butyl-4-methylbenzene", - "smiles": "Cc1ccc(C(C)(C)C)cc1", - "inchi": "InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3" - }, - "k_ij": 0.0060234618690658 - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": 0.1641598464585051 - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "k_ij": 0.0065671927280888 - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0113627599785157 - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": -0.0187700242309704 - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0274961261052819 - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "k_ij": 0.0169443073212402 - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 0.0037881144392058 - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0054540635978162 - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0297416966312387 - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "121-45-9", - "name": "trimethylphosphite", - "iupac_name": "trimethyl phosphite", - "smiles": "COP(OC)OC", - "inchi": "InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3" - }, - "k_ij": 0.0205415637306599 - }, - { - "id1": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "k_ij": 0.008007749437297 - }, - { - "id1": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.003872251154841 - }, - { - "id1": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": 0.0039522907876891 - }, - { - "id1": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "id2": { - "cas": "630-20-6", - "name": "1,1,1,2-tetrachloroethane [r130a]", - "iupac_name": "1,1,1,2-tetrachloroethane", - "smiles": "ClCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 7.1671836102965244e-06 - }, - { - "id1": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0621058812910798 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.0012347511350219 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.0083107820237747 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0053535398710992 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0084988328184402 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0166111648009412 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0207274648697806 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0285931740095823 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0170042309069084 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0045921572530009 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0092715568848355 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0452102289154079 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0504834413588975 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0138991760529799 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0044529989099726 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "14850-23-8", - "name": "trans-4-octene", - "iupac_name": "(e)-oct-4-ene", - "smiles": "CCC/C=C/CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+" - }, - "k_ij": -0.0018736103603729 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "7642-15-1", - "name": "cis-4-octene", - "iupac_name": "(z)-oct-4-ene", - "smiles": "CCC/C=C\\CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-" - }, - "k_ij": -0.0028862516981506 - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.1120801788619108 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": -0.0097540808999171 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0131060636951516 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "k_ij": -0.0085016640148487 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.009028408951989 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0467988638455967 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0010393832323271 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0026853884379266 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0039002784581115 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "k_ij": 0.0274340454110211 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0186131811549878 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0036744106275619 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0030360510099472 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1149053160853812 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0131924504567623 - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0049038678992477 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.1486796607107932 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": -0.019973825051779 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0116967332575776 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": -0.0018128404665156 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "k_ij": -0.0644647928852086 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0057755868182711 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "k_ij": -0.0424320276241382 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "k_ij": -0.00131559481232 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0067314642351045 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0710365065439428 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.02813592609821 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0036140787137816 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0112904404715403 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0062635265284444 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0146953447136167 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0095952454295007 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "k_ij": 0.0499346234824127 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0181630912463881 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.002246777795938 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": -0.0161543466437696 - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "122-52-1", - "name": "triethoxyphosphine", - "iupac_name": "triethyl phosphite", - "smiles": "CCOP(OCC)OCC", - "inchi": "InChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3" - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.079301303207815 - }, - { - "id1": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0032943398432414 - }, - { - "id1": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0087326407808159 - }, - { - "id1": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "335-57-9", - "name": "perfluoro-n-heptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" - }, - "k_ij": 0.0464727362200854 - }, - { - "id1": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": 0.0473590691487755 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "k_ij": 0.0139054749321431 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 0.0491357714866372 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0010805277027942 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0277356162775082 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": -0.0026545868968975 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0015745054100911 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0007715107153467 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0141564013827367 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": -0.0639071096459947 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": -0.0095727764133536 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0427018602084803 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0048201359093099 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.00771506856633 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0015831578546427 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0432678087326805 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "k_ij": -0.0031091160538232 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0255553802515709 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0089404399391138 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0244367176452024 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "k_ij": 0.0021708307661335 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0186189344046498 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "542-10-9", - "name": "1,1-ethanediol diacetate", - "iupac_name": "1-acetyloxyethyl acetate", - "smiles": "CC(=O)OC(C)OC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3" - }, - "k_ij": -0.0018993275065436 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "105-38-4", - "name": "vinyl propionate", - "iupac_name": "ethenyl propanoate", - "smiles": "C=COC(=O)CC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3" - }, - "k_ij": -0.0046115016409662 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0311265530811652 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0179492210605877 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "k_ij": 0.0167274404109002 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0150732306618541 - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0106725436751828 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "k_ij": 0.0753847966606087 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "k_ij": -0.1273647234415785 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "k_ij": -0.0734199306032883 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "k_ij": 0.1628833076961491 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0734655078092612 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": -0.2085152572902013 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "57-14-7", - "name": "1,1-dimethylhydrazine", - "iupac_name": "1,1-dimethylhydrazine", - "smiles": "CN(C)N", - "inchi": "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3" - }, - "k_ij": -0.0950582033174907 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "k_ij": -0.0065922794652854 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "765-43-5", - "name": "cyclopropyl methyl ketone", - "iupac_name": "1-cyclopropylethanone", - "smiles": "CC(=O)C1CC1", - "inchi": "InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3" - }, - "k_ij": 0.028988029921068 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": -0.0186767729422087 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0588295799287144 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "k_ij": 0.092431122061454 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.0671081772479782 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0150360419960584 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": 0.0167054431372666 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "k_ij": 0.0182650543038376 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0250232634557382 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "k_ij": 0.0230703056530141 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.157452290090208 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0177899759408443 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.1034628223605286 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "78-81-9", - "name": "2-methylpropylamine", - "iupac_name": "2-methylpropan-1-amine", - "smiles": "CC(C)CN", - "inchi": "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3" - }, - "k_ij": -0.0346452578279891 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "k_ij": 0.0743309696633699 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "k_ij": 0.0197621306982039 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.0062571303145125 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0105221409814087 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": -0.0058761284202874 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0508022693398687 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": 0.0927917238899471 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "k_ij": 0.0477507871035759 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.1008996673523261 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "k_ij": 0.104423206366393 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": 0.0897720121953358 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0082048598160381 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0589109906114978 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": 0.0147697365074569 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "k_ij": 0.0720290716075336 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.1564850140862501 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.027339491108062 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.1459256226622847 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0140952551718577 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.007241706081858 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "78-90-0", - "name": "1,2-propanediamine", - "iupac_name": "propane-1,2-diamine", - "smiles": "CC(N)CN", - "inchi": "InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3" - }, - "k_ij": -0.0428501642178523 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "k_ij": 0.0748432907301202 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": -0.0150517094519994 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "k_ij": -0.0084123545206094 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "k_ij": 0.1154556517705297 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.001389782470842 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": 0.0417985110212147 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0406269291768059 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "k_ij": 0.0325654914667302 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-77-3", - "name": "diethylene glycol monomethyl ether", - "iupac_name": "2-(2-methoxyethoxy)ethanol", - "smiles": "COCCOCCO", - "inchi": "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.1353366527801157 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0265230220321355 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.1476121276926919 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": 0.0194583395500963 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.0025075123943886 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.5980668712919226 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "29911-28-2", - "name": "dipropylene glycol butyl ether", - "iupac_name": "1-(1-butoxypropan-2-yloxy)propan-2-ol", - "smiles": "CCCCOCC(C)OCC(C)O", - "inchi": "InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3" - }, - "k_ij": 0.0523840380326604 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1455-13-6", - "name": "o-deuteromethanol", - "iupac_name": "deuteriooxymethane", - "smiles": "[2H]OC", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" - }, - "k_ij": -0.0091231094732122 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "k_ij": 0.0743117691639897 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": 0.0117862995872625 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "k_ij": -0.0309533891377785 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "k_ij": 0.0126579844755505 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "k_ij": 0.1291200099204729 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0997353918286929 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "k_ij": 0.1166595068776034 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0587421703534692 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0048794200307017 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "k_ij": 0.1238310480200338 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "120-80-9", - "name": "1,2-dihydroxybenzene ", - "iupac_name": "benzene-1,2-diol", - "smiles": "Oc1ccccc1O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "k_ij": 0.0383523265975959 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.0353722804569076 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "k_ij": 0.0625879138666042 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": 0.0651057704722982 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-05-7", - "name": "2-methylpiperidine", - "iupac_name": "2-methylpiperidine", - "smiles": "CC1CCCCN1", - "inchi": "InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3" - }, - "k_ij": 0.0475046480916055 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "k_ij": -0.0489329264384619 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "k_ij": 0.0395519914842318 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "k_ij": 0.0226068434188718 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-78-4", - "name": "ethylene cyanohydrin", - "iupac_name": "3-hydroxypropanenitrile", - "smiles": "N#CCCO", - "inchi": "InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2" - }, - "k_ij": 0.1994100139334692 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0097921616713833 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": -0.0897817275822845 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": -0.0091562250599237 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": 0.0097849374273217 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "k_ij": -0.0108018682594726 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": 0.0199403012638728 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "616-23-9", - "name": "2,3-dichloro-1-propanol", - "iupac_name": "2,3-dichloropropan-1-ol", - "smiles": "OCC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2" - }, - "k_ij": 0.2039897799038066 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "100-46-9", - "name": "alpha-aminotoluene", - "iupac_name": "phenylmethanamine", - "smiles": "NCc1ccccc1", - "inchi": "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2" - }, - "k_ij": 0.109383490358957 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "k_ij": -0.0104541838085335 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "156-87-6", - "name": "3-amino-1-propanol", - "iupac_name": "3-aminopropan-1-ol", - "smiles": "NCCCO", - "inchi": "InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2" - }, - "k_ij": -0.3480045875013134 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "k_ij": 0.0286515511804856 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1708-29-8", - "name": "2,5-dihydrofuran", - "iupac_name": "2,5-dihydrofuran", - "smiles": "C1=CCOC1", - "inchi": "InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2" - }, - "k_ij": 0.024589003640504 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "k_ij": 0.0068931128110959 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-24-2", - "name": "3-chloro-1,2-propanediol", - "iupac_name": "3-chloropropane-1,2-diol", - "smiles": "OCC(O)CCl", - "inchi": "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2" - }, - "k_ij": -0.0291871604691925 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-23-1", - "name": "1,3-dichloro-2-propanol", - "iupac_name": "1,3-dichloropropan-2-ol", - "smiles": "OC(CCl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2" - }, - "k_ij": 0.2034626370635322 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-97-4", - "name": "diisopropanolamine (dipa)", - "iupac_name": "1-(2-hydroxypropylamino)propan-2-ol", - "smiles": "CC(O)CNCC(C)O", - "inchi": "InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3" - }, - "k_ij": 0.0342111002643321 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "124-68-5", - "name": "2-amino-2-methyl-1-propanol (amp)", - "iupac_name": "2-amino-2-methylpropan-1-ol", - "smiles": "CC(C)(N)CO", - "inchi": "InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3" - }, - "k_ij": 0.020326588191722 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0651029560126515 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "k_ij": -0.0284608846886783 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1589-47-5", - "name": "2-methoxy-1-propanol", - "iupac_name": "2-methoxypropan-1-ol", - "smiles": "COC(C)CO", - "inchi": "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.1434374314371018 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "k_ij": 0.1016902484982818 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "k_ij": 0.1765257487358586 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "k_ij": 0.1277596543673522 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-18-9", - "name": "n,n,n',n'-tetramethyl ethylenediamine", - "iupac_name": "n,n,n',n'-tetramethylethane-1,2-diamine", - "smiles": "CN(C)CCN(C)C", - "inchi": "InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3" - }, - "k_ij": -0.1048774957890455 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-95-2", - "name": "n,n,n',n'-tetramethyl-1,3-diamino propane", - "iupac_name": "n,n,n',n'-tetramethylpropane-1,3-diamine", - "smiles": "CN(C)CCCN(C)C", - "inchi": "InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3" - }, - "k_ij": -0.0926849053792245 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-40-0", - "name": "diethylenetriamine", - "iupac_name": "n'-(2-aminoethyl)ethane-1,2-diamine", - "smiles": "NCCNCCN", - "inchi": "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" - }, - "k_ij": -0.097987522834113 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "k_ij": -0.0124059377310879 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "288-32-4", - "name": "1h-imidazole", - "iupac_name": "1h-imidazole", - "smiles": "c1c[nH]cn1", - "inchi": "InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)" - }, - "k_ij": 0.0262039497859875 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "5500-21-0", - "name": "cyclopropyl cyanide", - "iupac_name": "cyclopropanecarbonitrile", - "smiles": "N#CC1CC1", - "inchi": "InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2" - }, - "k_ij": 0.0193689240231388 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-55-7", - "name": "3-n,n-dimethylaminopropylamine", - "iupac_name": "n',n'-dimethylpropane-1,3-diamine", - "smiles": "CN(C)CCCN", - "inchi": "InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3" - }, - "k_ij": 0.0108766414126781 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "k_ij": 0.0556202386668989 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "56-18-8", - "name": "bis(3-aminopropyl)amine", - "iupac_name": "n'-(3-aminopropyl)propane-1,3-diamine", - "smiles": "NCCCNCCCN", - "inchi": "InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2" - }, - "k_ij": -0.9964396160850444 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "100-74-3", - "name": "4-ethylmorpholine", - "iupac_name": "4-ethylmorpholine", - "smiles": "CCN1CCOCC1", - "inchi": "InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3" - }, - "k_ij": -0.0352704430844523 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "104-78-9", - "name": "n,n-diethyl-1,3-diaminopropane", - "iupac_name": "n',n'-diethylpropane-1,3-diamine", - "smiles": "CCN(CC)CCCN", - "inchi": "InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3" - }, - "k_ij": 0.0326412136617282 - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "24800-25-7", - "name": "tetrapropylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)COC(C)CO", - "inchi": "InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3" - }, - "k_ij": 0.0900269825821819 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "k_ij": 1.3082191038860816e-05 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -1.1606926481268617e-05 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": -0.032454194456153 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0604883642969029 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "k_ij": 0.0301279416640021 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": 0.0257092027917813 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0158487593875397 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0174751653167885 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0068899126294414 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0099098538631436 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.0195266632755237 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0141548686391069 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0534927082077741 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0003773767737611 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": -0.00911083821845 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0246304123592635 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0324515979571962 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0106303590865572 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.01981718027945 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0250418354431888 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0255158069187209 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0171107722236883 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0037991511287416 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "k_ij": -0.0105470723093485 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0269296663372837 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": -0.0021243358294799 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1274617799423669 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0153394555624612 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0173659742382065 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.015914210194476 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": 0.0570733489013992 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0111639263183161 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "k_ij": -0.0439028222782299 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.0223144240724717 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0011729397626599 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0109446286831546 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "106-73-0", - "name": "methyl heptanoate", - "iupac_name": "methyl heptanoate", - "smiles": "CCCCCCC(=O)OC", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3" - }, - "k_ij": -0.0029202171506967 - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "k_ij": -0.0582834274210363 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0043388400784952 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0020605515434404 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "k_ij": 0.0237188826955864 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0621306496834498 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "k_ij": 0.005971301687713 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": 0.0280584281164367 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": 0.0004529395575409 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0078348797545375 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": 0.0107843878809678 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": 0.023176577976401 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0177629727172964 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0147395002582783 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0758789093763376 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": 0.0044448035734239 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": -0.0141280270991724 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.0363029875433834 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0005590210983913 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": -0.0029607733779163 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "k_ij": 0.0185571139173391 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.0009558488137046 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0262847347172226 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": -0.0017071273972539 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0115503932748973 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0327863957991768 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0258201701140131 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0115592859048568 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "k_ij": 0.0854574150139103 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 5.528820114909273e-06 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "k_ij": -0.0034230250638371 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0232379718995058 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": -0.0071297817671974 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": -0.0012698597153489 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "k_ij": -0.0186388500200538 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0235399745649605 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1240965217320423 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0161325971584572 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0204312699928131 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0834734555950549 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "k_ij": -0.0035696278302352 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0067963881865939 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0036724196598795 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0078168775856603 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0119741070842954 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "k_ij": -0.0193943844320371 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "k_ij": 0.0079624237068119 - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "k_ij": -0.0552447526254464 - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0323606977738582 - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0302799640948251 - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": -0.0402438783432134 - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": -0.0341559670570688 - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": -0.0192099557469242 - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": -0.0074104214663363 - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "k_ij": -0.0347540998359786 - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": -0.0040423650600811 - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0097722248891731 - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "k_ij": 0.0150539097014001 - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": 0.0104939904276639 - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0867683649794174 - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "k_ij": 0.0011249018804689 - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": -0.0090964951371945 - }, - { - "id1": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "k_ij": 0.0498445522708738 - }, - { - "id1": { - "cas": "91-66-7", - "name": "n,n-diethylaniline", - "iupac_name": "n,n-diethylaniline", - "smiles": "CCN(CC)c1ccccc1", - "inchi": "InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": -0.0075128734220438 - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.00596389950787 - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "k_ij": 0.0093065481414125 - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": -0.0034498840054384 - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1561227910105981 - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0161904654920035 - }, - { - "id1": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0019952612869237 - }, - { - "id1": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "k_ij": 0.0154132720548916 - }, - { - "id1": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0137249850381286 - }, - { - "id1": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "smiles": "Fc1ccc(F)cc1", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "k_ij": 0.0005666027125615 - }, - { - "id1": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "591-50-4", - "name": "iodobenzene", - "iupac_name": "iodobenzene", - "smiles": "Ic1ccccc1", - "inchi": "InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H" - }, - "k_ij": 0.0128626138053244 - }, - { - "id1": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "id2": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "k_ij": -0.003482345502381 - }, - { - "id1": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "id2": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "k_ij": 3.390813997505388e-05 - }, - { - "id1": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "id2": { - "cas": "124-70-9", - "name": "methyl vinyl dichlorosilane", - "iupac_name": "dichloro-ethenyl-methylsilane", - "smiles": "C=C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3" - }, - "k_ij": -0.0023638212400217 - }, - { - "id1": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": 0.0053613806202048 - }, - { - "id1": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 3.829045693894895e-05 - }, - { - "id1": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "id2": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "k_ij": -0.009433514325334 - }, - { - "id1": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "id2": { - "cas": "124-70-9", - "name": "methyl vinyl dichlorosilane", - "iupac_name": "dichloro-ethenyl-methylsilane", - "smiles": "C=C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3" - }, - "k_ij": -0.0096164658329048 - }, - { - "id1": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "id2": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "k_ij": -0.0083654325239169 - }, - { - "id1": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.0068052163326084 - }, - { - "id1": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "id2": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "k_ij": 0.0045800685600633 - }, - { - "id1": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -1.7594342264150657e-05 - }, - { - "id1": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 3.309259533269362e-05 - }, - { - "id1": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0122662552709804 - }, - { - "id1": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.0066527015069117 - }, - { - "id1": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "k_ij": -0.0033116201624022 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0394843959104477 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "k_ij": -0.0788890782655452 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "k_ij": -0.0368793265804306 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "k_ij": -0.0618952311480974 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0580935047830627 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0245048021572151 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0657122013117432 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0443811880886431 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0105772256750508 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0108259352370455 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0367331422402775 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": -0.0240303813225167 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0232826200260564 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0372084511557876 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "k_ij": 0.0416899461579014 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0131721121457699 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0364707953373057 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0043082076852825 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0089245643196782 - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0803345084112016 - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0024769898601322 - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0076681736082373 - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0260579150865837 - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": 0.0027030467559478 - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0042385302756134 - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0013235141873975 - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0042561016755349 - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.007446548551359 - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": -0.0034790748653344 - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "624-54-4", - "name": "amyl propioanate", - "iupac_name": "pentyl propanoate", - "smiles": "CCCCCOC(=O)CC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0003255141618783 - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0022362887139407 - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0116853788397348 - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0667022506654687 - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0049248718077842 - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "k_ij": -0.0035493526091815 - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 1.1945415977563073e-05 - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0040656912018917 - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.006102056609092 - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0154167454286343 - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": -0.0043713158990695 - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0183756129811081 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "k_ij": 0.0776094636557866 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "k_ij": -0.1089577916759248 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.132629444908588 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "k_ij": 0.070371108640093 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "k_ij": 0.0951612871147865 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "k_ij": 0.0376311585916113 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "111-92-2", - "name": "dibutylamine", - "iupac_name": "n-butylbutan-1-amine", - "smiles": "CCCCNCCCC", - "inchi": "InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3" - }, - "k_ij": 0.2249468566530494 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.1905930169135205 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "k_ij": 0.0404200603447322 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "k_ij": 0.0607436636127886 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "k_ij": 0.1158582782342621 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "k_ij": -0.0274503354243536 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0514651338646163 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0162463794699177 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0752873717698281 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.1072512938235289 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": -0.0649615526544694 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0285140878153349 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0427644167531999 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "k_ij": 0.067407804333891 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "k_ij": 0.0370177995913626 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0273202497483161 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0036803365266929 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "111-40-0", - "name": "diethylenetriamine", - "iupac_name": "n'-(2-aminoethyl)ethane-1,2-diamine", - "smiles": "NCCNCCN", - "inchi": "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" - }, - "k_ij": 0.0509733162929998 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.0038255587170834 - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": 0.0630293146352085 - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0273539479692385 - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.012263841213685 - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.002649077130193 - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0202239244635042 - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.049364220991433 - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": -0.0238718160936647 - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "k_ij": -0.0020693528760498 - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0134444010743332 - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0037145592503306 - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.0268606244444425 - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0839175049284378 - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.004645449958305 - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0319024981444284 - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0033283740228508 - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0089744676473547 - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "k_ij": 0.0048061775897369 - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0054320897365273 - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0031610210206579 - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 3.0224893909490728e-05 - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "507-19-7", - "name": "tert-butyl bromide", - "iupac_name": "2-bromo-2-methylpropane", - "smiles": "CC(C)(C)Br", - "inchi": "InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3" - }, - "k_ij": 0.0009837791882399 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "k_ij": 0.0200841114798347 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": 0.0209438953010189 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "k_ij": -0.0022459722568815 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.006635349948244 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0087414230256045 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "k_ij": 0.0228903506676746 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.0007727125392403 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0341325023007753 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0779719834613912 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": 0.0645679780898151 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0041519166104174 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "76-12-0", - "name": "1,1,2,2-tetrachloro-1,2-difluoroethane [r112]", - "iupac_name": "1,1,2,2-tetrachloro-1,2-difluoroethane", - "smiles": "FC(Cl)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8" - }, - "k_ij": 0.0087110827059398 - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "661-97-2", - "name": "1,2-dichlorohexafluoropropane", - "iupac_name": "1,2-dichloro-1,1,2,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)C(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C3Cl2F6/c4-1(6,2(5,7)8)3(9,10)11" - }, - "k_ij": -1.610296689980915e-05 - }, - { - "id1": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "id2": { - "cas": "124-09-4", - "name": "1,6-hexanediamine", - "iupac_name": "hexane-1,6-diamine", - "smiles": "NCCCCCCN", - "inchi": "InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2" - }, - "k_ij": -0.0325504848891696 - }, - { - "id1": { - "cas": "765-43-5", - "name": "cyclopropyl methyl ketone", - "iupac_name": "1-cyclopropylethanone", - "smiles": "CC(=O)C1CC1", - "inchi": "InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3" - }, - "id2": { - "cas": "517-23-7", - "name": "2-acetylbutyrolactone", - "iupac_name": "3-acetyloxolan-2-one", - "smiles": "CC(=O)C1CCOC1=O", - "inchi": "InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3" - }, - "k_ij": -0.0059608545877198 - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": 0.0563116750254836 - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.029449685545772 - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "k_ij": -0.0639553777798148 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "k_ij": 0.0043851387533754 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "k_ij": 0.0083635100160248 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0065344523345822 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.0138983346953991 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0310004504017822 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0019846933313054 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0055800658345713 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0124211735318093 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0162711131953714 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0105818092263778 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": -0.0191896185375293 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -0.0063351606055686 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.0062029379935677 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": -0.0073915195709476 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "k_ij": -0.0549246211720964 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0390761503453294 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": -0.1472570860479132 - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": -0.0769927579672526 - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "k_ij": 0.002628519840945 - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": -0.0378692236867079 - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": -0.0554058586635956 - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0920707771358496 - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.06532798406579 - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.005070238452346 - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "k_ij": -0.1114861522444666 - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "1656-48-0", - "name": "3,3'-oxybispropionitrile", - "iupac_name": "3-(2-cyanoethoxy)propanenitrile", - "smiles": "N#CCCOCCC#N", - "inchi": "InChI=1S/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2" - }, - "k_ij": -0.0783176523521395 - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0802808074470127 - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "k_ij": -0.0271500181432121 - }, - { - "id1": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "k_ij": 0.0203003563829538 - }, - { - "id1": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1215385813620142 - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "k_ij": -0.016475722802464 - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.036517753464131 - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "97-88-1", - "name": "methacrylic acid, butyl ester", - "iupac_name": "butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCCC", - "inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" - }, - "k_ij": -0.0197530797422826 - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0325893513198782 - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0432623884486518 - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "k_ij": 0.0070596950632483 - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "k_ij": -0.045424915509379 - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "78-85-3", - "name": "methacrolein", - "iupac_name": "2-methylprop-2-enal", - "smiles": "C=C(C)C=O", - "inchi": "InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3" - }, - "k_ij": -0.024551012646068 - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.0294764633273839 - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0359320754252242 - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0041210590745844 - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.0036175156484668 - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "542-10-9", - "name": "1,1-ethanediol diacetate", - "iupac_name": "1-acetyloxyethyl acetate", - "smiles": "CC(=O)OC(C)OC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3" - }, - "k_ij": -0.008261547104253 - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "k_ij": 0.0065096160453411 - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.011515878984896 - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.0380204358835435 - }, - { - "id1": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0436791015720899 - }, - { - "id1": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.049726212776675 - }, - { - "id1": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "k_ij": 0.0236687235296699 - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": -0.0262869508012064 - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0067046032954215 - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0102665900092201 - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": -0.0023618985814305 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "k_ij": -0.0579599863465389 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "k_ij": 0.0455275947956299 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "k_ij": 0.0237900614835781 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "k_ij": 0.0706512631552758 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "k_ij": 0.0715710858720064 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0023371135244088 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "57-11-4", - "name": "stearic acid", - "iupac_name": "octadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" - }, - "k_ij": -0.0167671819017066 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "124-07-2", - "name": "caprylic acid", - "iupac_name": "octanoic acid", - "smiles": "CCCCCCCC(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" - }, - "k_ij": -0.0767150332819645 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.0112621905558696 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0230585528322705 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 2.5178518175919584e-05 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0101498055121984 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "k_ij": -0.0589802518436893 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0100285004472048 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": 0.014971433727461 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -9.025962150125342e-06 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "k_ij": 0.0878624674284277 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": 0.0081958925626939 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "k_ij": 0.0077464080097601 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "k_ij": 0.0184178147923524 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 0.0205843307279648 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "334-48-5", - "name": "capric acid", - "iupac_name": "decanoic acid", - "smiles": "CCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" - }, - "k_ij": -0.1042580775525993 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0091266055510586 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0465160668120551 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.0270897354634141 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": 0.0335348460533703 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0262756849218214 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": 0.0184285504153362 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": 0.0172773165426925 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "k_ij": 0.028917263561533 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "91-17-8", - "name": "decalin ", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CCC2CCCCC2C1", - "inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" - }, - "k_ij": 0.0194187372523995 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0487245774166864 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "k_ij": 0.0352904869128424 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0045327241512427 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "k_ij": 0.1196579133096245 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "k_ij": 0.0168583794808977 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1248595752675637 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": -0.0055067688569285 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0184504968997715 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0124994136834887 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0056525952007608 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0363002847914994 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.04553839246074 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.110705854646365 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0108614090198748 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.0953231313146065 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0900847342049293 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0867185615598719 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.100042387016209 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "k_ij": 0.0867181873862455 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "k_ij": -0.0047980679806882 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-37-8", - "name": "undecanoic acid", - "iupac_name": "undecanoic acid", - "smiles": "CCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)" - }, - "k_ij": -0.0874016821707127 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "1678-92-8", - "name": "n-propyl cyclohexane", - "iupac_name": "propylcyclohexane", - "smiles": "CCCC1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.017250047833208 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "108-98-5", - "name": "benzenethiol", - "iupac_name": "benzenethiol", - "smiles": "Sc1ccccc1", - "inchi": "InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "k_ij": 0.0191234312166846 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-19-4", - "name": "cyclopropane", - "iupac_name": "cyclopropane", - "smiles": "C1CC1", - "inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2" - }, - "k_ij": 0.0005618245134031 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "k_ij": 0.0168250705002468 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "k_ij": 0.0473219143743357 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "463-49-0", - "name": "propadiene", - "iupac_name": "propa-1,2-diene", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "k_ij": 0.0187206835000125 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.1039730099310692 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0875219853473973 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-66-1", - "name": "2-methyl-2-propanethiol", - "iupac_name": "2-methylpropane-2-thiol", - "smiles": "CC(C)(C)S", - "inchi": "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.021618119793107 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.0843467561968172 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "k_ij": 0.0246628866238758 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "540-63-6", - "name": "1,2-ethanedithiol", - "iupac_name": "ethane-1,2-dithiol", - "smiles": "SCCS", - "inchi": "InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2" - }, - "k_ij": 0.0471688533050019 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.0782918730951106 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "519-73-3", - "name": "triphenylmethane", - "iupac_name": "benzhydrylbenzene", - "smiles": "c1ccc(C(c2ccccc2)c2ccccc2)cc1", - "inchi": "InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H" - }, - "k_ij": 0.0006578182125929 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "1191-95-3", - "name": "cyclobutanone", - "iupac_name": "cyclobutanone", - "smiles": "O=C1CCC1", - "inchi": "InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2" - }, - "k_ij": 0.0143416205067455 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": 0.0846926748632969 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "FC(F)C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "k_ij": 0.0908230713595248 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-55-0", - "name": "n-dodecyl mercaptan", - "iupac_name": "dodecane-1-thiol", - "smiles": "CCCCCCCCCCCCS", - "inchi": "InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": 0.0004503666836635 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": 0.0577716187469881 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.0680756945853261 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "29118-25-0", - "name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C\\C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1-" - }, - "k_ij": 0.0809485551028421 - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "k_ij": 0.0718907086381442 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": -0.0059383850461052 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0064055765183696 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0136507116834899 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0015794789146364 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0280313074260417 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0004374894303918 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0085956460595516 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0058324726380524 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": -0.003713527911491 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": -0.0031344214886834 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0023973988673979 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "k_ij": -0.0314539920583328 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0048226812571487 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0207520995270656 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0027934793340357 - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "k_ij": 0.0039241707763639 - }, - { - "id1": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "k_ij": 0.0080809588157882 - }, - { - "id1": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0279884008407497 - }, - { - "id1": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": -0.0038164793369608 - }, - { - "id1": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0150534554045322 - }, - { - "id1": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0418788623305045 - }, - { - "id1": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "id2": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0067954365073918 - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "k_ij": 0.0066733216441154 - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": -0.0282581587649733 - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0395131534763027 - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "111-69-3", - "name": "1,4-dicyanobutane", - "iupac_name": "hexanedinitrile", - "smiles": "N#CCCCCC#N", - "inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2" - }, - "k_ij": 0.0091511971278266 - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": -0.0006100452520217 - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": 0.0241641247832223 - }, - { - "id1": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "k_ij": 0.0031215693119775 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "k_ij": 0.0221586040706616 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "k_ij": 0.01808260883471 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "k_ij": 0.0419567787905091 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "k_ij": 0.0067560307371558 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.028730150107864 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.0283870328072095 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-43-4", - "name": "dichlorofluoromethane [r21]", - "iupac_name": "dichloro(fluoro)methane", - "smiles": "FC(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H" - }, - "k_ij": 0.0028274543406681 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": -0.065101147875157 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0757999765009241 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "k_ij": 0.0079925648575227 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0199338520531797 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.008388428821485 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "k_ij": 0.049670045539194 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0063702369311703 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": -0.0038925109416836 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -2.160868352200792e-05 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0470304393769383 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0124016266661997 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0096663384101657 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0157753762577771 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": -0.0051919459095757 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0041822253903917 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "k_ij": 0.0295618219662341 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0495494534576586 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "k_ij": 0.0460431406413647 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0085844247561021 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "374-07-2", - "name": "1,1-dichloro tetrafluoro ethane [r114a]", - "iupac_name": "1,1-dichloro-1,2,2,2-tetrafluoroethane", - "smiles": "FC(F)(F)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0281128954359199 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "k_ij": -0.0755331364868902 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0064737218576934 - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0089001968530209 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "k_ij": 0.0195749119565976 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "k_ij": 0.025705798069875 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "k_ij": 0.0243440405945914 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.0057557995493796 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "k_ij": 3.630140975110615e-05 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0327100726469917 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0758550077552828 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": -0.0173214699400913 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.012387581514809 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0120892967670548 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0612411720128793 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.0546921998873372 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "k_ij": 0.0069749509380537 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": -2.7469997735049484e-05 - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0430903932094333 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "k_ij": 0.0020527192165004 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0749603233943413 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0494142612117775 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0471777859794566 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0813151507343652 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0573717909929652 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0178603297444081 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "smiles": "FC(F)=C(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "k_ij": 0.0015898816748946 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0285649168256211 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "k_ij": 1.4921314681072212e-05 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": 0.012315997446155 - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.0088005369712607 - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "75-43-4", - "name": "dichlorofluoromethane [r21]", - "iupac_name": "dichloro(fluoro)methane", - "smiles": "FC(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H" - }, - "k_ij": 0.0522553182861536 - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0163476211959797 - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "k_ij": -0.0212148453207585 - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "smiles": "FC(F)=C(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "k_ij": 0.0008302864378201 - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.043072673224698 - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "k_ij": -0.0062521151775863 - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0032366229887642 - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "112-63-0", - "name": "(z,z)-9,12-octadecadienoic acid methyl ester", - "iupac_name": "methyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-" - }, - "k_ij": 0.0082249247024814 - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "k_ij": 0.0007021372863333 - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0069831598145724 - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" - }, - "k_ij": -0.0039771102959262 - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "k_ij": 0.0051109596989143 - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.035643974404742 - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0017241656904246 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "k_ij": -0.0297524260424567 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0105403830600393 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": 0.012668278494634 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "k_ij": -0.0345623833583165 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0179296492325132 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0094075627745667 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "k_ij": -0.0316668512366238 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0369706702246127 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.1388993465053511 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": -0.0051263059502887 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "k_ij": -0.0191904978541191 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0697836892469872 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0336147984062257 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": 0.0305132309306165 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "591-24-2", - "name": "3-methylcyclohexanone", - "iupac_name": "3-methylcyclohexan-1-one", - "smiles": "CC1CCCC(=O)C1", - "inchi": "InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3" - }, - "k_ij": -0.0125738809253971 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "589-92-4", - "name": "4-methylcyclohexanone", - "iupac_name": "4-methylcyclohexan-1-one", - "smiles": "CC1CCC(=O)CC1", - "inchi": "InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": -0.0131245168078867 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "k_ij": -0.0018904811944489 - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "930-68-7", - "name": "2-cyclohexen-1-one", - "iupac_name": "cyclohex-2-en-1-one", - "smiles": "O=C1C=CCCC1", - "inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2" - }, - "k_ij": -0.0018709964899885 - }, - { - "id1": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "id2": { - "cas": "1187-58-2", - "name": "n-methyl propanamide", - "iupac_name": "n-methylpropanamide", - "smiles": "CCC(O)=NC", - "inchi": "InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)" - }, - "k_ij": 0.0067778073483398 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0672895693942902 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": -0.0123779805350101 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0029075103429216 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0324580266917118 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0130866906208543 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "k_ij": 0.0031013250686473 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.0581983510685717 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "k_ij": -0.0322904962724568 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0234841467120317 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "k_ij": 0.0029595666622751 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1301384077466365 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0127648655680259 - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "930-68-7", - "name": "2-cyclohexen-1-one", - "iupac_name": "cyclohex-2-en-1-one", - "smiles": "O=C1C=CCCC1", - "inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2" - }, - "k_ij": -0.0417681888510891 - }, - { - "id1": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "112-63-0", - "name": "(z,z)-9,12-octadecadienoic acid methyl ester", - "iupac_name": "methyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-" - }, - "k_ij": 0.0029542247111938 - }, - { - "id1": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "112-61-8", - "name": "octadecanoic acid methyl ester", - "iupac_name": "methyl octadecanoate", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3" - }, - "k_ij": 0.009029204656705 - }, - { - "id1": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.105347516830313 - }, - { - "id1": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.000501271338651 - }, - { - "id1": { - "cas": "108-47-4", - "name": "2,4-dimethylpyridine", - "iupac_name": "2,4-dimethylpyridine", - "smiles": "Cc1ccnc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0024711171174233 - }, - { - "id1": { - "cas": "108-47-4", - "name": "2,4-dimethylpyridine", - "iupac_name": "2,4-dimethylpyridine", - "smiles": "Cc1ccnc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0173349695781333 - }, - { - "id1": { - "cas": "108-47-4", - "name": "2,4-dimethylpyridine", - "iupac_name": "2,4-dimethylpyridine", - "smiles": "Cc1ccnc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0151690968066411 - }, - { - "id1": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0103598819376735 - }, - { - "id1": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": 0.0058696430787053 - }, - { - "id1": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "id2": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "k_ij": 0.0274410729817928 - }, - { - "id1": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.110112899094019 - }, - { - "id1": { - "cas": "75-94-5", - "name": "trichlorovinylsilane", - "iupac_name": "trichloro(ethenyl)silane", - "smiles": "C=C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3Si/c1-2-6(3,4)5/h2H,1H2" - }, - "id2": { - "cas": "124-70-9", - "name": "methyl vinyl dichlorosilane", - "iupac_name": "dichloro-ethenyl-methylsilane", - "smiles": "C=C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3" - }, - "k_ij": 0.0037598460201267 - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0129186730253448 - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "k_ij": 0.0182797954722735 - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0331842535060877 - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "k_ij": 0.0042510949925639 - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0533170661340684 - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "k_ij": -0.0601280870901429 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "k_ij": 3.3927532913477164e-05 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0105814501140354 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "k_ij": 0.0540701671113055 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "k_ij": 0.0063554815594833 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "359-70-6", - "name": "perfluorotriethylamine", - "iupac_name": "1,1,2,2,2-pentafluoro-n,n-bis(1,1,2,2,2-pentafluoroethyl)ethanamine", - "smiles": "FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15" - }, - "k_ij": 0.077707354792578 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0111663323158065 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "k_ij": 0.0105215478882176 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": 0.007666080385336 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0046052368219645 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0071853741078878 - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1189728997226014 - }, - { - "id1": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0025420554915764 - }, - { - "id1": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0019441515488547 - }, - { - "id1": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "id2": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "k_ij": 0.0279647159074272 - }, - { - "id1": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "id2": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.016162942313368 - }, - { - "id1": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "k_ij": 0.0056562428330041 - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "k_ij": 0.0143851902969089 - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0902852992667881 - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": -0.0107334292607756 - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "k_ij": -0.0368549695444248 - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 2.8208124931243927e-05 - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0770944576270841 - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "19329-89-6", - "name": "isoamyl lactate", - "iupac_name": "3-methylbutyl 2-hydroxypropanoate", - "smiles": "CC(C)CCOC(=O)C(C)O", - "inchi": "InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3" - }, - "k_ij": 0.0463752071784849 - }, - { - "id1": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "k_ij": 0.0007715230961225 - }, - { - "id1": { - "cas": "124-07-2", - "name": "caprylic acid", - "iupac_name": "octanoic acid", - "smiles": "CCCCCCCC(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" - }, - "id2": { - "cas": "334-48-5", - "name": "capric acid", - "iupac_name": "decanoic acid", - "smiles": "CCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" - }, - "k_ij": 0.0046296836313856 - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0716049978032458 - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "k_ij": -0.051895812135745 - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0163314605411684 - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0020967239238028 - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.022489313842083 - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 0.0210681374701875 - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "k_ij": 0.0244515379886476 - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0199492268936998 - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "611-14-3", - "name": "1-ethyl-2-methylbenzene", - "iupac_name": "1-ethyl-2-methylbenzene", - "smiles": "CCc1ccccc1C", - "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" - }, - "k_ij": 0.0207466671361481 - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-69-8", - "name": "1-iodobutane", - "iupac_name": "1-iodobutane", - "smiles": "CCCCI", - "inchi": "InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3" - }, - "k_ij": 0.0230523097152931 - }, - { - "id1": { - "cas": "78-81-9", - "name": "2-methylpropylamine", - "iupac_name": "2-methylpropan-1-amine", - "smiles": "CC(C)CN", - "inchi": "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0097197298867282 - }, - { - "id1": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "k_ij": 0.0109227964597262 - }, - { - "id1": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.1818546563570576 - }, - { - "id1": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": -0.05931840256343 - }, - { - "id1": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1184490090781011 - }, - { - "id1": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "smiles": "Cc1cc(C)cc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "k_ij": -0.0578098803805659 - }, - { - "id1": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "smiles": "Cc1cc(C)cc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "95-87-4", - "name": "2,5-dimethylphenol", - "iupac_name": "2,5-dimethylphenol", - "smiles": "Cc1ccc(C)c(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3" - }, - "k_ij": -0.065467021121287 - }, - { - "id1": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "smiles": "Cc1cc(C)cc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "95-65-8", - "name": "3,4-dimethylphenol", - "iupac_name": "3,4-dimethylphenol", - "smiles": "Cc1ccc(O)cc1C", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" - }, - "k_ij": -0.0180024988636066 - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "k_ij": -0.0126451131857458 - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "29911-28-2", - "name": "dipropylene glycol butyl ether", - "iupac_name": "1-(1-butoxypropan-2-yloxy)propan-2-ol", - "smiles": "CCCCOCC(C)OCC(C)O", - "inchi": "InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3" - }, - "k_ij": -0.0082040245762073 - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "k_ij": 0.0179189517197416 - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "k_ij": -0.0625895565842139 - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0329468425460684 - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "k_ij": 0.0810493215323692 - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "1589-47-5", - "name": "2-methoxy-1-propanol", - "iupac_name": "2-methoxypropan-1-ol", - "smiles": "COC(C)CO", - "inchi": "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0498650927799807 - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "k_ij": 0.0003727494532836 - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "24800-25-7", - "name": "tetrapropylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)COC(C)CO", - "inchi": "InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3" - }, - "k_ij": 0.0509473439562258 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "k_ij": -0.0155870721801315 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0029964476674885 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "k_ij": 0.0179159110076507 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.0099756882930302 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0085191868317374 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0146836475204548 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "k_ij": -0.0342023737777228 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": -0.0051097981184183 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "k_ij": 0.0116897595655932 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "563-78-0", - "name": "2,3-dimethyl-1-butene", - "iupac_name": "2,3-dimethylbut-1-ene", - "smiles": "C=C(C)C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3" - }, - "k_ij": 0.0037755569655876 - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0069543108883716 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.016599244470273 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "k_ij": -0.0905012194928177 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "k_ij": -0.0636254660468866 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0133889392556058 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": -0.0459050871084929 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0004085965832623 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "k_ij": -0.0255835667650152 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": -0.0372967576142536 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "k_ij": -0.0133905626302071 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": -0.0789333609613681 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": -0.0054446585187143 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "k_ij": -0.0252254928731037 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "k_ij": -0.1230149403125087 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "k_ij": -0.0084472915238675 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.0114626676876572 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": 0.0071651389433654 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "k_ij": -0.0136321432434354 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0024695570144668 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": -0.0360737139353282 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": -0.018527235886015 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0038783853295947 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "k_ij": -0.0197844328456304 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.1890887572422956 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0378398388064646 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": -0.0017169596904053 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": -0.1190564647631833 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": -0.2024579033015519 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0403973039767452 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.1496560405462795 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "k_ij": -0.0488118046809536 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "k_ij": -0.0543513386513395 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0084711165596718 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "k_ij": -0.0408983524647684 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0569223417630177 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0503917705167683 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "29171-20-8", - "name": "3,7-dimethyl-6-octen-1-yn-3-ol", - "iupac_name": "3,7-dimethyloct-6-en-1-yn-3-ol", - "smiles": "C#CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3" - }, - "k_ij": -0.1796117964958918 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": -0.0901344372567648 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": -0.0712112827393992 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.0434151234230505 - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": -0.0481039987911197 - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0104386659288401 - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0079970341738129 - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": -0.0106027456583325 - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0527570186361165 - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "k_ij": -0.0067849408214481 - }, - { - "id1": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0053276005131285 - }, - { - "id1": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0192969175733163 - }, - { - "id1": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0141802376267407 - }, - { - "id1": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0271136498408468 - }, - { - "id1": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0013116238464688 - }, - { - "id1": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0243011271640498 - }, - { - "id1": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "k_ij": -0.0044850250416211 - }, - { - "id1": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "k_ij": 0.011706720236838 - }, - { - "id1": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "k_ij": -0.0142021395588103 - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": 0.0713606651771836 - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0755429967625507 - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0044880790127953 - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": -0.0006587403696786 - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "k_ij": 0.0171513306699648 - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0040738206844417 - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0942096796897035 - }, - { - "id1": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": -0.0848877826715752 - }, - { - "id1": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": 0.0075178505728089 - }, - { - "id1": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.0152991633437626 - }, - { - "id1": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "k_ij": -0.0023509354324561 - }, - { - "id1": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": -0.0055946564532898 - }, - { - "id1": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.073827251484988 - }, - { - "id1": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0046448106910624 - }, - { - "id1": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0425720041251779 - }, - { - "id1": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "id2": { - "cas": "79-43-6", - "name": "dichloroacetic acid", - "iupac_name": "2,2-dichloroacetic acid", - "smiles": "O=C(O)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" - }, - "k_ij": -0.1334794970940591 - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "k_ij": -0.0196925970300294 - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": -0.0010032575789625 - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0150276699282982 - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": 0.0120874192729119 - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "k_ij": -0.0490319046456118 - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "k_ij": 0.0115360131312275 - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0341895680341987 - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "k_ij": -0.0067221263161675 - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0419020231425051 - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": -0.0019796078515317 - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": 0.0366783375362289 - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "696-29-7", - "name": "isopropylcyclohexane", - "iupac_name": "propan-2-ylcyclohexane", - "smiles": "CC(C)C1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.054524636464035 - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "k_ij": 0.0151581563749678 - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.005414292212538 - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0667813469418444 - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": -0.0192650307491427 - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "k_ij": -0.0253756978633692 - }, - { - "id1": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.004377332392603 - }, - { - "id1": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": -0.0160262808560176 - }, - { - "id1": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": -0.0248466860658632 - }, - { - "id1": { - "cas": "335-57-9", - "name": "perfluoro-n-heptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0275014214325025 - }, - { - "id1": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0087406623064204 - }, - { - "id1": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.0074518240018406 - }, - { - "id1": { - "cas": "311-89-7", - "name": "perfluorotributylamine", - "iupac_name": "1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33" - }, - "id2": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "k_ij": 0.0038638759646279 - }, - { - "id1": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "k_ij": -0.0096088179494625 - }, - { - "id1": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "k_ij": 0.0848262926125385 - }, - { - "id1": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0207777719229207 - }, - { - "id1": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "k_ij": 0.058462240759084 - }, - { - "id1": { - "cas": "107-41-5", - "name": "2-methyl-2,4-pentanediol", - "iupac_name": "2-methylpentane-2,4-diol", - "smiles": "CC(O)CC(C)(C)O", - "inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" - }, - "id2": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "k_ij": -0.0325858842345025 - }, - { - "id1": { - "cas": "107-41-5", - "name": "2-methyl-2,4-pentanediol", - "iupac_name": "2-methylpentane-2,4-diol", - "smiles": "CC(O)CC(C)(C)O", - "inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "k_ij": -0.011330853781609 - }, - { - "id1": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "k_ij": -0.0188640481874824 - }, - { - "id1": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "id2": { - "cas": "123-63-7", - "name": "2,4,6-trimethyl-1,3,5-trioxane", - "iupac_name": "2,4,6-trimethyl-1,3,5-trioxane", - "smiles": "CC1OC(C)OC(C)O1", - "inchi": "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3" - }, - "k_ij": -0.0181479847327039 - }, - { - "id1": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0122353444501831 - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "1459-93-4", - "name": "1,3-benzenedicarboxylic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,3-dicarboxylate", - "smiles": "COC(=O)c1cccc(C(=O)OC)c1", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3" - }, - "k_ij": -0.0064379863738796 - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0822735802314515 - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0010966442880431 - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "544-01-4", - "name": "diisopentyl ether", - "iupac_name": "3-methyl-1-(3-methylbutoxy)butane", - "smiles": "CC(C)CCOCCC(C)C", - "inchi": "InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3" - }, - "k_ij": 0.0073411661983132 - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "120-61-6", - "name": "dimethyl terephthalate", - "iupac_name": "dimethyl benzene-1,4-dicarboxylate", - "smiles": "COC(=O)c1ccc(C(=O)OC)cc1", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3" - }, - "k_ij": -9.127463057000246e-05 - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0343633166057288 - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "k_ij": 0.0015574762708378 - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "k_ij": 0.0130794106379886 - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "k_ij": -0.0225698332795736 - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0045592314359644 - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0007359974029624 - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.051523343932502 - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0106251536730753 - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0316118260454599 - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "k_ij": 0.0255582313066483 - }, - { - "id1": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "k_ij": 0.0221627869267584 - }, - { - "id1": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": 0.0040849792669488 - }, - { - "id1": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "id2": { - "cas": "3404-61-3", - "name": "3-methyl-1-hexene", - "iupac_name": "3-methylhex-1-ene", - "smiles": "C=CC(C)CCC", - "inchi": "InChI=1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3" - }, - "k_ij": 0.0076544033286029 - }, - { - "id1": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": 0.0120166788005612 - }, - { - "id1": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "k_ij": 0.0123558653613485 - }, - { - "id1": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.2330991361705545 - }, - { - "id1": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0463626429289812 - }, - { - "id1": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "id2": { - "cas": "132-64-9", - "name": "dibenzo[b,d]furan", - "iupac_name": "dibenzofuran", - "smiles": "c1ccc2c(c1)oc1ccccc12", - "inchi": "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" - }, - "k_ij": 0.0303366445699649 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "k_ij": 0.0003518050992485 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "k_ij": 0.0126111093645016 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0019298252316223 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.012513775081546 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "k_ij": 0.043232507780548 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.003311790030964 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "k_ij": 0.0458719211775199 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0263917074599625 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0040495729101337 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0541420225628766 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0054250417622128 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "k_ij": 0.1243673581649905 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.132584582330269 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0039227386646918 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0188619652257171 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.00117086496992 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.046121965500116 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1121711087275082 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "k_ij": 0.022415792528023 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0141204414327444 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.1105168496390178 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0876722192255846 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0123775015002573 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.1045044021210954 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0908253407573898 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "k_ij": 0.0134342273453744 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-66-1", - "name": "2-methyl-2-propanethiol", - "iupac_name": "2-methylpropane-2-thiol", - "smiles": "CC(C)(C)S", - "inchi": "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" - }, - "k_ij": 0.0115029819486058 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "k_ij": 0.0265575441426906 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "540-63-6", - "name": "1,2-ethanedithiol", - "iupac_name": "ethane-1,2-dithiol", - "smiles": "SCCS", - "inchi": "InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2" - }, - "k_ij": 0.0311919592514005 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.0812432205544319 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": 0.0860159466392611 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": 0.0944989304874689 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": 0.0613405947055984 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.0720314882158118 - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "29118-25-0", - "name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C\\C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1-" - }, - "k_ij": 0.0839737514619684 - }, - { - "id1": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0531233506289337 - }, - { - "id1": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.065148857599404 - }, - { - "id1": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0714076149575594 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "k_ij": 0.000563486120422 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0314481700410677 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0037258369087173 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0514680450192749 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": -0.0165417173840551 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.0162117176500366 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "k_ij": 0.0259310795403326 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0179870595314253 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0003326768997544 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0110456289565743 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0027210221056135 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "k_ij": -0.0483444687244988 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "k_ij": -0.0234107923646466 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0277310420878 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": -0.0020908452141562 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-13-6", - "name": "indene", - "iupac_name": "1h-indene", - "smiles": "C1=Cc2ccccc2C1", - "inchi": "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" - }, - "k_ij": 0.0020534509470149 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0018441009022109 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1226614987578912 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0099340460904555 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.01869536540253 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0214242046502758 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "k_ij": -0.0565568731160335 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0016844864449013 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0153684912182589 - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "k_ij": -0.0561193189365943 - }, - { - "id1": { - "cas": "112-07-2", - "name": "2-butoxyethyl acetate", - "iupac_name": "2-butoxyethyl acetate", - "smiles": "CCCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0651122066604616 - }, - { - "id1": { - "cas": "112-07-2", - "name": "2-butoxyethyl acetate", - "iupac_name": "2-butoxyethyl acetate", - "smiles": "CCCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": -0.005823464284313 - }, - { - "id1": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0266854653813455 - }, - { - "id1": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0049584274504655 - }, - { - "id1": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": -0.0610012489745831 - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": -0.0140416672770776 - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "106-70-7", - "name": "hexanoic acid methyl ester", - "iupac_name": "methyl hexanoate", - "smiles": "CCCCCC(=O)OC", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0571854573154222 - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": -0.0197749550112013 - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0360628179776951 - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "624-24-8", - "name": "methyl valerate", - "iupac_name": "methyl pentanoate", - "smiles": "CCCCC(=O)OC", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0464837465346869 - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "105-30-6", - "name": "2-methyl-1-pentanol", - "iupac_name": "2-methylpentan-1-ol", - "smiles": "CCCC(C)CO", - "inchi": "InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3" - }, - "k_ij": -0.0718875371044314 - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0342507889128762 - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0274330843057593 - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "k_ij": -0.0266952448968523 - }, - { - "id1": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "k_ij": 0.0009249465384108 - }, - { - "id1": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": -0.0068457660509607 - }, - { - "id1": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "id2": { - "cas": "557-98-2", - "name": "2-chloropropylene", - "iupac_name": "2-chloroprop-1-ene", - "smiles": "C=C(C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "k_ij": 0.0085119097888005 - }, - { - "id1": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0163278487586464 - }, - { - "id1": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "id2": { - "cas": "592-42-7", - "name": "1,5-hexadiene", - "iupac_name": "hexa-1,5-diene", - "smiles": "C=CCCC=C", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2" - }, - "k_ij": 0.00805282009363 - }, - { - "id1": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "id2": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "k_ij": 0.0615010852004573 - }, - { - "id1": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": -0.0101893281273896 - }, - { - "id1": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "id2": { - "cas": "557-98-2", - "name": "2-chloropropylene", - "iupac_name": "2-chloroprop-1-ene", - "smiles": "C=C(C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "k_ij": 0.0086689589303689 - }, - { - "id1": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0367544550607324 - }, - { - "id1": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "k_ij": 0.0040006153786455 - }, - { - "id1": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0046865344593096 - }, - { - "id1": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0184298300302448 - }, - { - "id1": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0057822328852112 - }, - { - "id1": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0033467234522594 - }, - { - "id1": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0555470388007564 - }, - { - "id1": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "k_ij": 0.0050874386343753 - }, - { - "id1": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": -0.0059947004001012 - }, - { - "id1": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0018621739366307 - }, - { - "id1": { - "cas": "112-63-0", - "name": "(z,z)-9,12-octadecadienoic acid methyl ester", - "iupac_name": "methyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1010564705106721 - }, - { - "id1": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": -0.0081916829193136 - }, - { - "id1": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "k_ij": -0.0480900878324171 - }, - { - "id1": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1108528997940326 - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "k_ij": 0.0017554607830159 - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": -0.0261153611821796 - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "k_ij": 0.029497940520127 - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.0261203843362035 - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1113814358563576 - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0272398616526515 - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.005391745447178 - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0030242466626529 - }, - { - "id1": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": -0.0011699308523509 - }, - { - "id1": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "k_ij": -0.016572608406866 - }, - { - "id1": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1456062732807258 - }, - { - "id1": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0129021498474461 - }, - { - "id1": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.010457016359692 - }, - { - "id1": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "id2": { - "cas": "334-48-5", - "name": "capric acid", - "iupac_name": "decanoic acid", - "smiles": "CCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" - }, - "k_ij": 0.012369772100312 - }, - { - "id1": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "k_ij": -0.0196307821563871 - }, - { - "id1": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "id2": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "k_ij": -0.0170682690135959 - }, - { - "id1": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "id2": { - "cas": "111-62-6", - "name": "(z)-9-octadecenoic acid ethyl ester", - "iupac_name": "ethyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-" - }, - "k_ij": -0.0295725561490129 - }, - { - "id1": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "k_ij": 0.010193269010186 - }, - { - "id1": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "110-42-9", - "name": "decanoic acid methyl ester", - "iupac_name": "methyl decanoate", - "smiles": "CCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0072529136267915 - }, - { - "id1": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.0059317135692282 - }, - { - "id1": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1109046195076001 - }, - { - "id1": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.010324926567328 - }, - { - "id1": { - "cas": "112-61-8", - "name": "octadecanoic acid methyl ester", - "iupac_name": "methyl octadecanoate", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1001683112307074 - }, - { - "id1": { - "cas": "112-61-8", - "name": "octadecanoic acid methyl ester", - "iupac_name": "methyl octadecanoate", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.001159515893159 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": -0.0013456172330874 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "k_ij": 0.0295118601899916 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "k_ij": 0.025641987912142 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "k_ij": -0.0008956127386292 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0081111875830226 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "k_ij": -0.0028127387386138 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "k_ij": 0.0404651106082224 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": 0.0015481731918317 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "k_ij": 0.0039753174826741 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": -0.0046255962989538 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0051611592332274 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": -0.0179364833866734 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1362946517477554 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "3710-30-3", - "name": "1,7-octadiene", - "iupac_name": "octa-1,7-diene", - "smiles": "C=CCCCCC=C", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2" - }, - "k_ij": 0.0132096878554145 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0207415503503347 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "99-62-7", - "name": "1,3-diisopropylbenzene", - "iupac_name": "1,3-di(propan-2-yl)benzene", - "smiles": "CC(C)c1cccc(C(C)C)c1", - "inchi": "InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3" - }, - "k_ij": -0.0077883462733783 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "k_ij": -0.0250229755679648 - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "k_ij": 0.0190290236065294 - }, - { - "id1": { - "cas": "2027-17-0", - "name": "2-isopropylnaphthalene", - "iupac_name": "2-propan-2-ylnaphthalene", - "smiles": "CC(C)c1ccc2ccccc2c1", - "inchi": "InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3" - }, - "id2": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "smiles": "Oc1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "k_ij": -0.0195347655090818 - }, - { - "id1": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "smiles": "Oc1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "id2": { - "cas": "90-15-3", - "name": "1-naphthol", - "iupac_name": "naphthalen-1-ol", - "smiles": "Oc1cccc2ccccc12", - "inchi": "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" - }, - "k_ij": -0.0377651397700734 - }, - { - "id1": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "id2": { - "cas": "131-11-3", - "name": "phthalic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,2-dicarboxylate", - "smiles": "COC(=O)c1ccccc1C(=O)OC", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" - }, - "k_ij": -0.0192099916669379 - }, - { - "id1": { - "cas": "563-45-1", - "name": "3-methyl-1-butene", - "iupac_name": "3-methylbut-1-ene", - "smiles": "C=CC(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.0788566368802829 - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "k_ij": 0.0075598382567552 - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "k_ij": 0.0034735268238835 - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 3.94010639782822e-05 - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0013875061934669 - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0032756362202445 - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0742907468302857 - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0042504034450576 - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": -0.0053916101421567 - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "k_ij": 0.0039605958803645 - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "k_ij": 0.0116654110556864 - }, - { - "id1": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 6.739248472787914e-05 - }, - { - "id1": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.0152390316380647 - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "k_ij": 0.0004265581429855 - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.0017558139167724 - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0234870087692384 - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0022364295767436 - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "k_ij": 0.0758096818539454 - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0174665206192129 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0013857038051894 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "691-37-2", - "name": "4-methyl-1-pentene", - "iupac_name": "4-methylpent-1-ene", - "smiles": "C=CCC(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" - }, - "k_ij": 0.0056156246965941 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0189945824926829 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.001372633540193 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1244888985394334 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0069475445231216 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0052532355875 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0529057303111203 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0044060735928494 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.1233808325092602 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0145097482046765 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.1174013208069209 - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "k_ij": 0.0873548093169717 - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": 0.0076522840144998 - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.0048127734127551 - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "589-34-4", - "name": "3-methylhexane", - "iupac_name": "3-methylhexane", - "smiles": "CCCC(C)CC", - "inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3" - }, - "k_ij": 0.0070286120831845 - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "k_ij": 0.0009984874364895 - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1265234184760893 - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0348764395930329 - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0228880642281301 - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "536-78-7", - "name": "3-ethylpyridine", - "iupac_name": "3-ethylpyridine", - "smiles": "CCc1cccnc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3" - }, - "k_ij": -0.0010911025018262 - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0015059436277459 - }, - { - "id1": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0037180047232396 - }, - { - "id1": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "k_ij": 0.0714114762453085 - }, - { - "id1": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 0.006516006454967 - }, - { - "id1": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0133904610469267 - }, - { - "id1": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.017622509639753 - }, - { - "id1": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0017648118637057 - }, - { - "id1": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0498792255459728 - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "k_ij": 0.0076506459264913 - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "k_ij": -0.0026273912026498 - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": -0.0230339083033083 - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "k_ij": 0.0087031658862691 - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0038097180262806 - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0318405733236062 - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0109714124645491 - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "k_ij": -0.0256871910733289 - }, - { - "id1": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0048357260894156 - }, - { - "id1": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0092476176662828 - }, - { - "id1": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0362780198217331 - }, - { - "id1": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "id2": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "k_ij": -0.0233208475511282 - }, - { - "id1": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "id2": { - "cas": "109-43-3", - "name": "decanedioic acid dibutyl ester", - "iupac_name": "dibutyl decanedioate", - "smiles": "CCCCOC(=O)CCCCCCCCC(=O)OCCCC", - "inchi": "InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0315500999252219 - }, - { - "id1": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "id2": { - "cas": "84-66-2", - "name": "phthalic acid diethyl ester", - "iupac_name": "diethyl benzene-1,2-dicarboxylate", - "smiles": "CCOC(=O)c1ccccc1C(=O)OCC", - "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" - }, - "k_ij": -0.0307087591283549 - }, - { - "id1": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "id2": { - "cas": "131-11-3", - "name": "phthalic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,2-dicarboxylate", - "smiles": "COC(=O)c1ccccc1C(=O)OC", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" - }, - "k_ij": -0.0203142332048782 - }, - { - "id1": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 1.0880021165339898e-05 - }, - { - "id1": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "id2": { - "cas": "102-69-2", - "name": "tripropylamine", - "iupac_name": "n,n-dipropylpropan-1-amine", - "smiles": "CCCN(CCC)CCC", - "inchi": "InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3" - }, - "k_ij": 0.0320057705169207 - }, - { - "id1": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "id2": { - "cas": "56-18-8", - "name": "bis(3-aminopropyl)amine", - "iupac_name": "n'-(3-aminopropyl)propane-1,3-diamine", - "smiles": "NCCCNCCCN", - "inchi": "InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2" - }, - "k_ij": -0.7014904578704423 - }, - { - "id1": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "k_ij": -0.0120335678194944 - }, - { - "id1": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.078382811152249 - }, - { - "id1": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "103-09-3", - "name": "2-ethylhexylacetate", - "iupac_name": "2-ethylhexyl acetate", - "smiles": "CCCCC(CC)COC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3" - }, - "k_ij": -0.0116439600986311 - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0112629770675324 - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "k_ij": 0.0184552859558976 - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0025514174894335 - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0059480140257337 - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0299341084078532 - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0008759631794783 - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "k_ij": 0.0172833086085635 - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0114805250875831 - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0124529353956052 - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": 0.0159619386869572 - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0020739817632229 - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": 0.0265045880242865 - }, - { - "id1": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "k_ij": -1.2868039782712732e-05 - }, - { - "id1": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "id2": { - "cas": "502-41-0", - "name": "cycloheptanol", - "iupac_name": "cycloheptanol", - "smiles": "OC1CCCCCC1", - "inchi": "InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2" - }, - "k_ij": 0.0540823036558964 - }, - { - "id1": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.0111586024307916 - }, - { - "id1": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1597748623217928 - }, - { - "id1": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": 0.0151918428621401 - }, - { - "id1": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1607790133093348 - }, - { - "id1": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0166968564624777 - }, - { - "id1": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "id2": { - "cas": "502-49-8", - "name": "cyclooctanone", - "iupac_name": "cyclooctanone", - "smiles": "O=C1CCCCCCC1", - "inchi": "InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2" - }, - "k_ij": 0.0375854007584144 - }, - { - "id1": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "id2": { - "cas": "696-71-9", - "name": "cyclooctanol", - "iupac_name": "cyclooctanol", - "smiles": "OC1CCCCCCC1", - "inchi": "InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2" - }, - "k_ij": 0.1153950896775411 - }, - { - "id1": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": 0.0131536803437452 - }, - { - "id1": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0865192209701127 - }, - { - "id1": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0043783331721605 - }, - { - "id1": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": -0.0015934310201971 - }, - { - "id1": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0947332549188934 - }, - { - "id1": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.030598240527771 - }, - { - "id1": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "id2": { - "cas": "5989-54-8", - "name": "l-(-)-limonene", - "iupac_name": "(4s)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1" - }, - "k_ij": 0.0023138685225914 - }, - { - "id1": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.0060171799047431 - }, - { - "id1": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 3.590249263331106e-05 - }, - { - "id1": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "1704-62-7", - "name": "2-(2-dimethylaminoethoxy) ethanol", - "iupac_name": "2-[2-(dimethylamino)ethoxy]ethanol", - "smiles": "CN(C)CCOCCO", - "inchi": "InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3" - }, - "k_ij": 0.0076493994274605 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "k_ij": 0.0360684419964992 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "k_ij": 0.0169337604679031 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "k_ij": 0.0396745941007231 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0213517678663603 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0621078344505239 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "111-36-4", - "name": "isocyanic acid butyl ester", - "iupac_name": "1-isocyanatobutane", - "smiles": "CCCCN=C=O", - "inchi": "InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3" - }, - "k_ij": 0.0354536495584659 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0215374421273234 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0205055867864854 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "3452-09-3", - "name": "1-nonyne", - "iupac_name": "non-1-yne", - "smiles": "C#CCCCCCCC", - "inchi": "InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3" - }, - "k_ij": 0.0055999703046759 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "109-64-8", - "name": "1,3-dibromopropane", - "iupac_name": "1,3-dibromopropane", - "smiles": "BrCCCBr", - "inchi": "InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": 0.0155469784597001 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0252905132681386 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1288481656091907 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0158016391160656 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0195398031676816 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "k_ij": 0.0148442722541286 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.1103187160348843 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.005787246274144 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0365593519153496 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": 0.0084717198164196 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "k_ij": 0.0290622885957245 - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.1447244406506413 - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "k_ij": 0.0034485950335529 - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0058426918586949 - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0366953821682229 - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": -0.0025184816390378 - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.0025896269936566 - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0187397457093305 - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": -0.0013625312851136 - }, - { - "id1": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.033359508798248 - }, - { - "id1": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": -0.0748000622471618 - }, - { - "id1": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "id2": { - "cas": "624-54-4", - "name": "amyl propioanate", - "iupac_name": "pentyl propanoate", - "smiles": "CCCCCOC(=O)CC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3" - }, - "k_ij": -0.0012458427936789 - }, - { - "id1": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "k_ij": -0.0059943534104864 - }, - { - "id1": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0045699814461424 - }, - { - "id1": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1764261335854908 - }, - { - "id1": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0185166859480318 - }, - { - "id1": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.012657767025681 - }, - { - "id1": { - "cas": "112-34-5", - "name": "diethylene glycol monobutyl ether", - "iupac_name": "2-(2-butoxyethoxy)ethanol", - "smiles": "CCCCOCCOCCO", - "inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1059687988738319 - }, - { - "id1": { - "cas": "106-70-7", - "name": "hexanoic acid methyl ester", - "iupac_name": "methyl hexanoate", - "smiles": "CCCCCC(=O)OC", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-11-5", - "name": "octanoic acid methyl ester", - "iupac_name": "methyl octanoate", - "smiles": "CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3" - }, - "k_ij": 0.0006647453074306 - }, - { - "id1": { - "cas": "111-11-5", - "name": "octanoic acid methyl ester", - "iupac_name": "methyl octanoate", - "smiles": "CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-42-9", - "name": "decanoic acid methyl ester", - "iupac_name": "methyl decanoate", - "smiles": "CCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3" - }, - "k_ij": 0.00477555960091 - }, - { - "id1": { - "cas": "110-42-9", - "name": "decanoic acid methyl ester", - "iupac_name": "methyl decanoate", - "smiles": "CCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0053854439121273 - }, - { - "id1": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0767762947057325 - }, - { - "id1": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0005745677305447 - }, - { - "id1": { - "cas": "108-83-8", - "name": "diisobutyl ketone", - "iupac_name": "2,6-dimethylheptan-4-one", - "smiles": "CC(C)CC(=O)CC(C)C", - "inchi": "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": -0.0015212383364804 - }, - { - "id1": { - "cas": "624-89-5", - "name": "ethyl methyl sulfide", - "iupac_name": "methylsulfanylethane", - "smiles": "CCSC", - "inchi": "InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0298669147055608 - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "k_ij": 0.0054818606022667 - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "k_ij": 0.0044979141393611 - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": 0.003937158473817 - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0123823856180913 - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -0.0039785904965288 - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.0017443112409172 - }, - { - "id1": { - "cas": "124-09-4", - "name": "1,6-hexanediamine", - "iupac_name": "hexane-1,6-diamine", - "smiles": "NCCCCCCN", - "inchi": "InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2" - }, - "id2": { - "cas": "111-69-3", - "name": "1,4-dicyanobutane", - "iupac_name": "hexanedinitrile", - "smiles": "N#CCCCCC#N", - "inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2" - }, - "k_ij": 0.0093075886711295 - }, - { - "id1": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "k_ij": 0.0552905372000032 - }, - { - "id1": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0009112829831443 - }, - { - "id1": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0904234397587357 - }, - { - "id1": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": 0.0034825233387639 - }, - { - "id1": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "k_ij": 0.0116830204858945 - }, - { - "id1": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0346474614320331 - }, - { - "id1": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "k_ij": -0.0516480141321083 - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "107-51-7", - "name": "octamethyltrisiloxane", - "iupac_name": "dimethyl-bis(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3" - }, - "k_ij": 0.0080895868123789 - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "k_ij": -0.0374394125478617 - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1450280630663173 - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0059137846115792 - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "999-97-3", - "name": "hexamethyldisilazane", - "iupac_name": "[dimethyl-(trimethylsilylamino)silyl]methane", - "smiles": "C[Si](C)(C)N[Si](C)(C)C", - "inchi": "InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3" - }, - "k_ij": 0.0048059950480095 - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "107-11-9", - "name": "3-amino-1-propene", - "iupac_name": "prop-2-en-1-amine", - "smiles": "C=CCN", - "inchi": "InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2" - }, - "k_ij": -0.0136217781255167 - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "141-62-8", - "name": "decamethyltetrasiloxane", - "iupac_name": "[dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxysilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3" - }, - "k_ij": 0.0125092795384439 - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "141-63-9", - "name": "dodecamethylpentasiloxane", - "iupac_name": "bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3" - }, - "k_ij": 0.0157508262392785 - }, - { - "id1": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "k_ij": -0.0322357979686511 - }, - { - "id1": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0552532790097117 - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "119-65-3", - "name": "isoquinoline", - "iupac_name": "isoquinoline", - "smiles": "c1ccc2cnccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" - }, - "k_ij": -0.0020085269251153 - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": -0.0022399234812928 - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0631567155831542 - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0315675939701691 - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "95-65-8", - "name": "3,4-dimethylphenol", - "iupac_name": "3,4-dimethylphenol", - "smiles": "Cc1ccc(O)cc1C", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" - }, - "k_ij": -0.1166763039231788 - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.076795281594902 - }, - { - "id1": { - "cas": "120-83-2", - "name": "2,4-dichlorophenol", - "iupac_name": "2,4-dichlorophenol", - "smiles": "Oc1ccc(Cl)cc1Cl", - "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" - }, - "id2": { - "cas": "95-57-8", - "name": "o-chlorophenol", - "iupac_name": "2-chlorophenol", - "smiles": "Oc1ccccc1Cl", - "inchi": "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H" - }, - "k_ij": 0.0081409640011563 - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "k_ij": 0.0332660672273787 - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0056835224226621 - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0150887486282406 - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "96-23-1", - "name": "1,3-dichloro-2-propanol", - "iupac_name": "1,3-dichloropropan-2-ol", - "smiles": "OC(CCl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2" - }, - "k_ij": 0.0055553446166773 - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "78-88-6", - "name": "2,3-dichloropropene", - "iupac_name": "2,3-dichloroprop-1-ene", - "smiles": "C=C(Cl)CCl", - "inchi": "InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2" - }, - "k_ij": -0.0013807207267524 - }, - { - "id1": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "k_ij": 0.0261249628175113 - }, - { - "id1": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.0203840693218936 - }, - { - "id1": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1595556306559921 - }, - { - "id1": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.136212530736409 - }, - { - "id1": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.1189901524882572 - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "k_ij": -0.223880806967404 - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.0293301406159148 - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "k_ij": 0.0038034138443282 - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "k_ij": 0.0251397099357505 - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0405234199542307 - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0399844644611988 - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "k_ij": 0.0282065175615736 - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0289979548494307 - }, - { - "id1": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "id2": { - "cas": "1003-38-9", - "name": "2,5-dimethyltetrahydrofuran", - "iupac_name": "2,5-dimethyloxolane", - "smiles": "CC1CCC(C)O1", - "inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0019411896240732 - }, - { - "id1": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0064301122892425 - }, - { - "id1": { - "cas": "111-77-3", - "name": "diethylene glycol monomethyl ether", - "iupac_name": "2-(2-methoxyethoxy)ethanol", - "smiles": "COCCOCCO", - "inchi": "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1383965982404013 - }, - { - "id1": { - "cas": "111-77-3", - "name": "diethylene glycol monomethyl ether", - "iupac_name": "2-(2-methoxyethoxy)ethanol", - "smiles": "COCCOCCO", - "inchi": "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.0826641464260736 - }, - { - "id1": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "k_ij": -2.3513623176840318e-05 - }, - { - "id1": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": 0.0044589684382178 - }, - { - "id1": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0080799967650057 - }, - { - "id1": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0073628951504342 - }, - { - "id1": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0088441917528295 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": -0.0074897472811038 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": 0.0197977100993724 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": 0.0087475446717016 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "k_ij": 0.0192930245389422 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "k_ij": -0.0208902912152534 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0184643873809029 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0224715289507797 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0322255235641326 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": -0.1068947099288122 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0035347942369759 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "k_ij": -0.0443965877271773 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0054242794423231 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "k_ij": 0.025354859137515 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "k_ij": 0.0211451356491647 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "k_ij": 0.0885695075630695 - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "13509-27-8", - "name": "methyl phenyl carbonate", - "iupac_name": "methyl phenyl carbonate", - "smiles": "COC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "k_ij": 0.0277192832432518 - }, - { - "id1": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1056225197578297 - }, - { - "id1": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1552910544628717 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.011715239758638 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0027297356373206 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0327393287257099 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0002249442896356 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0247903462960058 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0034930677007695 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0108387908727616 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0050697746393009 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.0370039877196467 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": 0.0029277826284546 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.0608499900171317 - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.057504058455101 - }, - { - "id1": { - "cas": "110-49-6", - "name": "ethylene glycol acetate monomethyl ether", - "iupac_name": "2-methoxyethyl acetate", - "smiles": "COCCOC(C)=O", - "inchi": "InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0286551247020902 - }, - { - "id1": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0055003393985667 - }, - { - "id1": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0041129949214619 - }, - { - "id1": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0211647802040475 - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "k_ij": 0.0104463160122181 - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "k_ij": 0.0076847192768288 - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "k_ij": -0.0061065394239619 - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0662876417593057 - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "k_ij": 0.0562272654662628 - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "k_ij": 0.0305340420061625 - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": -0.0120529860057476 - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "3852-09-3", - "name": "propionic acid,beta-methoxy,methyl ester", - "iupac_name": "methyl 3-methoxypropanoate", - "smiles": "COCCC(=O)OC", - "inchi": "InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0070090739985312 - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0060308812205748 - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0137168933067657 - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "k_ij": 0.013474299636794 - }, - { - "id1": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "k_ij": 0.0262403570571891 - }, - { - "id1": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1011961231036147 - }, - { - "id1": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0551696298305023 - }, - { - "id1": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "id2": { - "cas": "344-07-0", - "name": "chloropentafluorobenzene", - "iupac_name": "1-chloro-2,3,4,5,6-pentafluorobenzene", - "smiles": "Fc1c(F)c(F)c(Cl)c(F)c1F", - "inchi": "InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "k_ij": 0.0444323466983281 - }, - { - "id1": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0127774917632885 - }, - { - "id1": { - "cas": "120-82-1", - "name": "1,2,4-trichlorobenzene", - "iupac_name": "1,2,4-trichlorobenzene", - "smiles": "Clc1ccc(Cl)c(Cl)c1", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H" - }, - "id2": { - "cas": "87-61-6", - "name": "1,2,3-trichlorobenzene", - "iupac_name": "1,2,3-trichlorobenzene", - "smiles": "Clc1cccc(Cl)c1Cl", - "inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H" - }, - "k_ij": -0.0011883423543186 - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "75-76-3", - "name": "tetramethylsilane", - "iupac_name": "tetramethylsilane", - "smiles": "C[Si](C)(C)C", - "inchi": "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" - }, - "k_ij": 1.4642364429419413e-05 - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "594-27-4", - "name": "tetramethylstannane", - "iupac_name": "tetramethylstannane", - "smiles": "[CH3].[CH3].[CH3].[CH3].[Sn]", - "inchi": "InChI=1S/4CH3.Sn/h4*1H3;" - }, - "k_ij": 0.0041904347435912 - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "k_ij": 0.0911516096191678 - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1396612349854023 - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0363150171468583 - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0107573430140908 - }, - { - "id1": { - "cas": "75-76-3", - "name": "tetramethylsilane", - "iupac_name": "tetramethylsilane", - "smiles": "C[Si](C)(C)C", - "inchi": "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "594-27-4", - "name": "tetramethylstannane", - "iupac_name": "tetramethylstannane", - "smiles": "[CH3].[CH3].[CH3].[CH3].[Sn]", - "inchi": "InChI=1S/4CH3.Sn/h4*1H3;" - }, - "k_ij": 0.0018505470047102 - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "k_ij": 0.0004764903124077 - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "k_ij": 0.0043651621878388 - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "101-84-8", - "name": "diphenyl ether", - "iupac_name": "phenoxybenzene", - "smiles": "c1ccc(Oc2ccccc2)cc1", - "inchi": "InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": 0.0040599368981049 - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.131791190401579 - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "575-43-9", - "name": "1,6-dimethyl naphthalene", - "iupac_name": "1,6-dimethylnaphthalene", - "smiles": "Cc1ccc2c(C)cccc2c1", - "inchi": "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3" - }, - "k_ij": 0.0009077347875217 - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "smiles": "c1ccc2[nH]ccc2c1", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "k_ij": 0.0090680980228287 - }, - { - "id1": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.0260444050613531 - }, - { - "id1": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "k_ij": -0.0039670312170485 - }, - { - "id1": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1510378483736849 - }, - { - "id1": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.068240697249324 - }, - { - "id1": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "k_ij": 0.0024495914501933 - }, - { - "id1": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "k_ij": 0.0166214106487046 - }, - { - "id1": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "smiles": "C=C(C)CCC", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": 8.498925523161578e-06 - }, - { - "id1": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "smiles": "C=C(C)CCC", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1081871655372813 - }, - { - "id1": { - "cas": "691-37-2", - "name": "4-methyl-1-pentene", - "iupac_name": "4-methylpent-1-ene", - "smiles": "C=CCC(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0191030556835708 - }, - { - "id1": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "id2": { - "cas": "591-49-1", - "name": "1-methylcyclohexene", - "iupac_name": "1-methylcyclohexene", - "smiles": "CC1=CCCCC1", - "inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3" - }, - "k_ij": -0.0186777763436959 - }, - { - "id1": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "id2": { - "cas": "100-40-3", - "name": "4-ethenylcyclohexene", - "iupac_name": "4-ethenylcyclohexene", - "smiles": "C=CC1CC=CCC1", - "inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2" - }, - "k_ij": 0.0042932206454756 - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "k_ij": -0.0191749681234293 - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1596810083934023 - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0280076399080743 - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0203617902165651 - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0137909422816069 - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.1035527260355477 - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": 0.0005906989508489 - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "k_ij": -0.0008788577943042 - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "k_ij": 0.0010197474309318 - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1230795915811861 - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0020355308227728 - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0188275387196273 - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.014104894146201 - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": 0.0148690993346527 - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "611-14-3", - "name": "1-ethyl-2-methylbenzene", - "iupac_name": "1-ethyl-2-methylbenzene", - "smiles": "CCc1ccccc1C", - "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" - }, - "k_ij": -0.000926420898174 - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "872-55-9", - "name": "2-ethylthiophene", - "iupac_name": "2-ethylthiophene", - "smiles": "CCc1cccs1", - "inchi": "InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3" - }, - "k_ij": 0.0272924231123065 - }, - { - "id1": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "k_ij": -0.0412792242339384 - }, - { - "id1": { - "cas": "100-44-7", - "name": "benzyl chloride", - "iupac_name": "chloromethylbenzene", - "smiles": "ClCc1ccccc1", - "inchi": "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" - }, - "id2": { - "cas": "140-29-4", - "name": "benzylcyanide", - "iupac_name": "2-phenylacetonitrile", - "smiles": "N#CCc1ccccc1", - "inchi": "InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2" - }, - "k_ij": -0.0020645373028982 - }, - { - "id1": { - "cas": "112-36-7", - "name": "diethylene glycol diethyl ether", - "iupac_name": "1-ethoxy-2-(2-ethoxyethoxy)ethane", - "smiles": "CCOCCOCCOCC", - "inchi": "InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0825990359886888 - }, - { - "id1": { - "cas": "107-51-7", - "name": "octamethyltrisiloxane", - "iupac_name": "dimethyl-bis(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3" - }, - "id2": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "k_ij": 0.0058807615038538 - }, - { - "id1": { - "cas": "119-65-3", - "name": "isoquinoline", - "iupac_name": "isoquinoline", - "smiles": "c1ccc2cnccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" - }, - "id2": { - "cas": "91-63-4", - "name": "quinaldine", - "iupac_name": "2-methylquinoline", - "smiles": "Cc1ccc2ccccc2n1", - "inchi": "InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3" - }, - "k_ij": -0.0004669572487831 - }, - { - "id1": { - "cas": "119-65-3", - "name": "isoquinoline", - "iupac_name": "isoquinoline", - "smiles": "c1ccc2cnccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "k_ij": -0.0177860977290476 - }, - { - "id1": { - "cas": "91-63-4", - "name": "quinaldine", - "iupac_name": "2-methylquinoline", - "smiles": "Cc1ccc2ccccc2n1", - "inchi": "InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3" - }, - "id2": { - "cas": "491-35-0", - "name": "4-methylquinoline", - "iupac_name": "4-methylquinoline", - "smiles": "Cc1ccnc2ccccc12", - "inchi": "InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3" - }, - "k_ij": 0.006662915458673 - }, - { - "id1": { - "cas": "79-92-5", - "name": "2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane", - "iupac_name": "2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane", - "smiles": "C=C1C2CCC(C2)C1(C)C", - "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "k_ij": 0.0149545015822847 - }, - { - "id1": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1319449056335991 - }, - { - "id1": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0261402321468098 - }, - { - "id1": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "k_ij": -0.0042840976066065 - }, - { - "id1": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3" - }, - "id2": { - "cas": "294-62-2", - "name": "cyclododecane", - "iupac_name": "cyclododecane", - "smiles": "C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" - }, - "k_ij": 0.0060557216203902 - }, - { - "id1": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1251496458251009 - }, - { - "id1": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "k_ij": 0.0249327222964848 - }, - { - "id1": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "k_ij": 0.0051065985528436 - }, - { - "id1": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0944441018708071 - }, - { - "id1": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0307584309039533 - }, - { - "id1": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0137267190551551 - }, - { - "id1": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "id2": { - "cas": "109-43-3", - "name": "decanedioic acid dibutyl ester", - "iupac_name": "dibutyl decanedioate", - "smiles": "CCCCOC(=O)CCCCCCCCC(=O)OCCCC", - "inchi": "InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3" - }, - "k_ij": -0.0004057978225725 - }, - { - "id1": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1156505627239705 - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "k_ij": -0.0011277748747598 - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "k_ij": 0.0022002156871595 - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "k_ij": 0.0019410088469807 - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "k_ij": 0.0042786361614275 - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1244601312325409 - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": 0.0172934943508001 - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "611-14-3", - "name": "1-ethyl-2-methylbenzene", - "iupac_name": "1-ethyl-2-methylbenzene", - "smiles": "CCc1ccccc1C", - "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" - }, - "k_ij": -0.0031204818712358 - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "620-14-4", - "name": "1-ethyl-3-methylbenzene", - "iupac_name": "1-ethyl-3-methylbenzene", - "smiles": "CCc1cccc(C)c1", - "inchi": "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3" - }, - "k_ij": -0.0006821832399087 - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "622-96-8", - "name": "1-ethyl-4-methylbenzene", - "iupac_name": "1-ethyl-4-methylbenzene", - "smiles": "CCc1ccc(C)cc1", - "inchi": "InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3" - }, - "k_ij": -0.001772500830233 - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.002496399362156 - }, - { - "id1": { - "cas": "29911-28-2", - "name": "dipropylene glycol butyl ether", - "iupac_name": "1-(1-butoxypropan-2-yloxy)propan-2-ol", - "smiles": "CCCCOCC(C)OCC(C)O", - "inchi": "InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3" - }, - "id2": { - "cas": "5131-66-8", - "name": "1,2-propylene glycol 1-monobutylether", - "iupac_name": "1-butoxypropan-2-ol", - "smiles": "CCCCOCC(C)O", - "inchi": "InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3" - }, - "k_ij": -0.0353434575947434 - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.007839507978003 - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "k_ij": 0.0156738093529266 - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "112-41-4", - "name": "1-dodecene", - "iupac_name": "dodec-1-ene", - "smiles": "C=CCCCCCCCCCC", - "inchi": "InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3" - }, - "k_ij": 0.0080321643449147 - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1033013340436846 - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0045908279572407 - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0907433462907529 - }, - { - "id1": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "k_ij": -0.0188571678997941 - }, - { - "id1": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "id2": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "k_ij": -0.016931493188631 - }, - { - "id1": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.045287523760565 - }, - { - "id1": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0048797777179201 - }, - { - "id1": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.0329265099792249 - }, - { - "id1": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "k_ij": 0.1221760455195971 - }, - { - "id1": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0789765708973801 - }, - { - "id1": { - "cas": "1081-77-2", - "name": "nonylbenzene", - "iupac_name": "nonylbenzene", - "smiles": "CCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1451218171400305 - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "k_ij": 0.0042983006585053 - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "k_ij": -0.002185941200462 - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0217338914134937 - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0472054873324111 - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0449138371096426 - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.0517581924875077 - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.010887236110625 - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0299704332756561 - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-43-4", - "name": "dichlorofluoromethane [r21]", - "iupac_name": "dichloro(fluoro)methane", - "smiles": "FC(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H" - }, - "k_ij": 0.0210612359597999 - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "k_ij": -0.0052100036814138 - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": 0.0288363132779154 - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0349033016765003 - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.060652141718933 - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": 0.0557898569992957 - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "76-12-0", - "name": "1,1,2,2-tetrachloro-1,2-difluoroethane [r112]", - "iupac_name": "1,1,2,2-tetrachloro-1,2-difluoroethane", - "smiles": "FC(Cl)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8" - }, - "k_ij": 0.0146701822383914 - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0403204454311001 - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "335-36-4", - "name": "perfluoro-2-butyltetrahydrofuran", - "iupac_name": "2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6" - }, - "k_ij": 0.0227420179037804 - }, - { - "id1": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1724140985111537 - }, - { - "id1": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0225412945220815 - }, - { - "id1": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "k_ij": -0.0068604087030279 - }, - { - "id1": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.152426859930917 - }, - { - "id1": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "k_ij": -0.0060308965207565 - }, - { - "id1": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "k_ij": -0.0008804865897949 - }, - { - "id1": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "k_ij": 0.0060489410419607 - }, - { - "id1": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "k_ij": 0.0057914950170293 - }, - { - "id1": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0049400279865123 - }, - { - "id1": { - "cas": "111-55-7", - "name": "ethylene glycol diacetate", - "iupac_name": "2-acetyloxyethyl acetate", - "smiles": "CC(=O)OCCOC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3" - }, - "id2": { - "cas": "542-59-6", - "name": "glycol monoacetate", - "iupac_name": "2-hydroxyethyl acetate", - "smiles": "CC(=O)OCCO", - "inchi": "InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3" - }, - "k_ij": 0.0139315793534774 - }, - { - "id1": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "id2": { - "cas": "538-93-2", - "name": "isobutylbenzene", - "iupac_name": "2-methylpropylbenzene", - "smiles": "CC(C)Cc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" - }, - "k_ij": 0.0022071457895378 - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "k_ij": -0.0089083417731424 - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.022733429625848 - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0876675803982376 - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0330314389388919 - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -0.0100177421331042 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "k_ij": -0.0223751445513257 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "k_ij": 0.0125612285212776 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0084840987531774 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0091725867530884 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": -0.0043649805687393 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.003385810748697 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0107287743715352 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0054323525181097 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0080601322437931 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0470089339503685 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.1266434994947898 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0182965665349077 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0476009791023661 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0225652137180772 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.0926944719533256 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": -0.0731961048301624 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": -0.0456393570768635 - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "FC(F)C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "k_ij": -0.0640147952519326 - }, - { - "id1": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.0495929043650169 - }, - { - "id1": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "id2": { - "cas": "593-53-3", - "name": "methyl fluoride [r41]", - "iupac_name": "fluoromethane", - "smiles": "CF", - "inchi": "InChI=1S/CH3F/c1-2/h1H3" - }, - "k_ij": 0.0337519831771201 - }, - { - "id1": { - "cas": "920-66-1", - "name": "1,1,1,3,3,3-hexafluoro-2-propanol", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-ol", - "smiles": "OC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "k_ij": -0.2753970525638129 - }, - { - "id1": { - "cas": "920-66-1", - "name": "1,1,1,3,3,3-hexafluoro-2-propanol", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-ol", - "smiles": "OC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H" - }, - "id2": { - "cas": "7226-23-5", - "name": "n,n'-dimethylpropylene urea ", - "iupac_name": "1,3-dimethyl-1,3-diazinan-2-one", - "smiles": "CN1CCCN(C)C1=O", - "inchi": "InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3" - }, - "k_ij": -0.2830355013287862 - }, - { - "id1": { - "cas": "111-36-4", - "name": "isocyanic acid butyl ester", - "iupac_name": "1-isocyanatobutane", - "smiles": "CCCCN=C=O", - "inchi": "InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "k_ij": 0.0290513206611038 - }, - { - "id1": { - "cas": "84-66-2", - "name": "phthalic acid diethyl ester", - "iupac_name": "diethyl benzene-1,2-dicarboxylate", - "smiles": "CCOC(=O)c1ccccc1C(=O)OCC", - "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": 0.0032644061565083 - }, - { - "id1": { - "cas": "84-66-2", - "name": "phthalic acid diethyl ester", - "iupac_name": "diethyl benzene-1,2-dicarboxylate", - "smiles": "CCOC(=O)c1ccccc1C(=O)OCC", - "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1006106073756509 - }, - { - "id1": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0087706367076621 - }, - { - "id1": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0500532116760175 - }, - { - "id1": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "k_ij": 0.0048299187695414 - }, - { - "id1": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.0049001777097317 - }, - { - "id1": { - "cas": "2467-10-9", - "name": "1,1,1,5-tetrachloropentane", - "iupac_name": "1,1,1,5-tetrachloropentane", - "smiles": "ClCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2" - }, - "id2": { - "cas": "3922-36-9", - "name": "1,1,1,7-tetrachloroheptane", - "iupac_name": "1,1,1,7-tetrachloroheptane", - "smiles": "ClCCCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C7H12Cl4/c8-6-4-2-1-3-5-7(9,10)11/h1-6H2" - }, - "k_ij": -0.0285726422343585 - }, - { - "id1": { - "cas": "2467-10-9", - "name": "1,1,1,5-tetrachloropentane", - "iupac_name": "1,1,1,5-tetrachloropentane", - "smiles": "ClCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.006437785362862 - }, - { - "id1": { - "cas": "3922-36-9", - "name": "1,1,1,7-tetrachloroheptane", - "iupac_name": "1,1,1,7-tetrachloroheptane", - "smiles": "ClCCCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C7H12Cl4/c8-6-4-2-1-3-5-7(9,10)11/h1-6H2" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": -0.008969632683349 - }, - { - "id1": { - "cas": "696-29-7", - "name": "isopropylcyclohexane", - "iupac_name": "propan-2-ylcyclohexane", - "smiles": "CC(C)C1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1241254652809353 - }, - { - "id1": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "k_ij": -0.0224085527263759 - }, - { - "id1": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0064424619118586 - }, - { - "id1": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1355473144388384 - }, - { - "id1": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0007866742763278 - }, - { - "id1": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "id2": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "k_ij": 0.0118638114211163 - }, - { - "id1": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0026545930188423 - }, - { - "id1": { - "cas": "112-14-1", - "name": "octyl acetate", - "iupac_name": "octyl acetate", - "smiles": "CCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1119953994000931 - }, - { - "id1": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "k_ij": -0.1005898823347985 - }, - { - "id1": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "626-93-7", - "name": "2-hexanol", - "iupac_name": "hexan-2-ol", - "smiles": "CCCCC(C)O", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "k_ij": -0.0253027293067637 - }, - { - "id1": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0653443595008068 - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0022287163482549 - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "367-11-3", - "name": "1,2-difluorobenzene", - "iupac_name": "1,2-difluorobenzene", - "smiles": "Fc1ccccc1F", - "inchi": "InChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "k_ij": -0.0158651633286487 - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "372-18-9", - "name": "1,3-difluorobenzene", - "iupac_name": "1,3-difluorobenzene", - "smiles": "Fc1cccc(F)c1", - "inchi": "InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "k_ij": -0.0182945557893733 - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "smiles": "Fc1ccc(F)cc1", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "k_ij": -0.0209836524048045 - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.0256398771807967 - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.035225729939285 - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.0473350268592604 - }, - { - "id1": { - "cas": "1003-38-9", - "name": "2,5-dimethyltetrahydrofuran", - "iupac_name": "2,5-dimethyloxolane", - "smiles": "CC1CCC(C)O1", - "inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": 0.0065330283774738 - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0151525270663964 - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0367499318965784 - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.1109947312342993 - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "k_ij": -0.0261051495012033 - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0076637180172646 - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.002512187833686 - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.022403110562673 - }, - { - "id1": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "k_ij": -0.0534434476362332 - }, - { - "id1": { - "cas": "60-01-5", - "name": "butanoic acid-1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(butanoyloxy)propyl butanoate", - "smiles": "CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC", - "inchi": "InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0612171813583804 - }, - { - "id1": { - "cas": "60-01-5", - "name": "butanoic acid-1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(butanoyloxy)propyl butanoate", - "smiles": "CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC", - "inchi": "InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3" - }, - "id2": { - "cas": "621-70-5", - "name": "hexanoic acid 1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(hexanoyloxy)propyl hexanoate", - "smiles": "CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC", - "inchi": "InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3" - }, - "k_ij": 0.0196587119884271 - }, - { - "id1": { - "cas": "112-62-9", - "name": "methyl oleate", - "iupac_name": "methyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1008915117894976 - }, - { - "id1": { - "cas": "112-62-9", - "name": "methyl oleate", - "iupac_name": "methyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0019007838620359 - }, - { - "id1": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0020295663431807 - }, - { - "id1": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1553122085112225 - }, - { - "id1": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.103021730121431 - }, - { - "id1": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "id2": { - "cas": "363-72-4", - "name": "pentafluorobenzene", - "iupac_name": "1,2,3,4,5-pentafluorobenzene", - "smiles": "Fc1cc(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" - }, - "k_ij": 0.0279990632245858 - }, - { - "id1": { - "cas": "75-97-8", - "name": "3,3-dimethyl-2-butanone", - "iupac_name": "3,3-dimethylbutan-2-one", - "smiles": "CC(=O)C(C)(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.0014255955295188 - }, - { - "id1": { - "cas": "75-97-8", - "name": "3,3-dimethyl-2-butanone", - "iupac_name": "3,3-dimethylbutan-2-one", - "smiles": "CC(=O)C(C)(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0822487851929283 - }, - { - "id1": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0917330203818513 - }, - { - "id1": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0784199922326423 - }, - { - "id1": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": -0.0263050302160675 - }, - { - "id1": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1058156864563501 - }, - { - "id1": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "k_ij": -0.0055486557003384 - }, - { - "id1": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "k_ij": 0.0044339236227971 - }, - { - "id1": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-62-7", - "name": "bromotrichloromethane [r10b1]", - "iupac_name": "bromo(trichloro)methane", - "smiles": "ClC(Cl)(Cl)Br", - "inchi": "InChI=1S/CBrCl3/c2-1(3,4)5" - }, - "k_ij": 0.0109999113169096 - }, - { - "id1": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "id2": { - "cas": "106-43-4", - "name": "p-chlorotoluene", - "iupac_name": "1-chloro-4-methylbenzene", - "smiles": "Cc1ccc(Cl)cc1", - "inchi": "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "k_ij": 0.0003492264893913 - }, - { - "id1": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1340958948288794 - }, - { - "id1": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1023853424133923 - }, - { - "id1": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "k_ij": -0.0179258581885677 - }, - { - "id1": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "k_ij": -0.0023024082485156 - }, - { - "id1": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "k_ij": 0.008471465995134 - }, - { - "id1": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "id2": { - "cas": "592-50-7", - "name": "1-fluoropentane", - "iupac_name": "1-fluoropentane", - "smiles": "CCCCCF", - "inchi": "InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": -0.0052310289756485 - }, - { - "id1": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0008801162339304 - }, - { - "id1": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "540-18-1", - "name": "amyl butyrate", - "iupac_name": "pentyl butanoate", - "smiles": "CCCCCOC(=O)CCC", - "inchi": "InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3" - }, - "k_ij": -0.0013855272515818 - }, - { - "id1": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0013212371995747 - }, - { - "id1": { - "cas": "112-92-5", - "name": "1-octadecanol", - "iupac_name": "octadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0099526329084216 - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "112-72-1", - "name": "1-tetradecanol", - "iupac_name": "tetradecan-1-ol", - "smiles": "CCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3" - }, - "k_ij": 0.0097470661466026 - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "693-65-2", - "name": "dipentyl ether", - "iupac_name": "1-pentoxypentane", - "smiles": "CCCCCOCCCCC", - "inchi": "InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0020586608760171 - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "294-62-2", - "name": "cyclododecane", - "iupac_name": "cyclododecane", - "smiles": "C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" - }, - "k_ij": -0.0104126069682509 - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1341485825721458 - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1319613964466659 - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.068443846134713 - }, - { - "id1": { - "cas": "3221-61-2", - "name": "2-methyloctane", - "iupac_name": "2-methyloctane", - "smiles": "CCCCCCC(C)C", - "inchi": "InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3" - }, - "id2": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" - }, - "k_ij": -0.0049812426550662 - }, - { - "id1": { - "cas": "3221-61-2", - "name": "2-methyloctane", - "iupac_name": "2-methyloctane", - "smiles": "CCCCCCC(C)C", - "inchi": "InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3" - }, - "id2": { - "cas": "592-27-8", - "name": "2-methylheptane", - "iupac_name": "2-methylheptane", - "smiles": "CCCCCC(C)C", - "inchi": "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "k_ij": 3.3662794894493805e-05 - }, - { - "id1": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1280902569485876 - }, - { - "id1": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0026739592499701 - }, - { - "id1": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0735394762000023 - }, - { - "id1": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "smiles": "CCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1477677198500711 - }, - { - "id1": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "smiles": "CCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1246425732162999 - }, - { - "id1": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "smiles": "CCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0784709956558002 - }, - { - "id1": { - "cas": "112-41-4", - "name": "1-dodecene", - "iupac_name": "dodec-1-ene", - "smiles": "C=CCCCCCCCCCC", - "inchi": "InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3" - }, - "id2": { - "cas": "95-15-8", - "name": "benzo(b)thiophene", - "iupac_name": "1-benzothiophene", - "smiles": "c1ccc2sccc2c1", - "inchi": "InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H" - }, - "k_ij": -0.0006614063885686 - }, - { - "id1": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0906062395890699 - }, - { - "id1": { - "cas": "124-19-6", - "name": "nonanal", - "iupac_name": "nonanal", - "smiles": "CCCCCCCCC=O", - "inchi": "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0837078776708349 - }, - { - "id1": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" - }, - "id2": { - "cas": "592-27-8", - "name": "2-methylheptane", - "iupac_name": "2-methylheptane", - "smiles": "CCCCCC(C)C", - "inchi": "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "k_ij": -0.0057141398805084 - }, - { - "id1": { - "cas": "120-80-9", - "name": "1,2-dihydroxybenzene ", - "iupac_name": "benzene-1,2-diol", - "smiles": "Oc1ccccc1O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "id2": { - "cas": "150-76-5", - "name": "p-methoxyphenol", - "iupac_name": "4-methoxyphenol", - "smiles": "COc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3" - }, - "k_ij": 0.0045442024562843 - }, - { - "id1": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": -0.0054655717554541 - }, - { - "id1": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0773023778691937 - }, - { - "id1": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "k_ij": -0.0064797228569687 - }, - { - "id1": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "k_ij": -0.0078293523675728 - }, - { - "id1": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": -0.0107951310233746 - }, - { - "id1": { - "cas": "91-17-8", - "name": "decalin ", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CCC2CCCCC2C1", - "inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.3343949560082736 - }, - { - "id1": { - "cas": "91-17-8", - "name": "decalin ", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CCC2CCCCC2C1", - "inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0614909552985333 - }, - { - "id1": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1203657768647791 - }, - { - "id1": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "id2": { - "cas": "110-59-8", - "name": "pentanenitrile", - "iupac_name": "pentanenitrile", - "smiles": "CCCCC#N", - "inchi": "InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3" - }, - "k_ij": 0.003742962640221 - }, - { - "id1": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "id2": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "k_ij": -0.0028988137044485 - }, - { - "id1": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "id2": { - "cas": "541-73-1", - "name": "m-dichlorobenzene", - "iupac_name": "1,3-dichlorobenzene", - "smiles": "Clc1cccc(Cl)c1", - "inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "k_ij": 0.0013123583222816 - }, - { - "id1": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0713069410909969 - }, - { - "id1": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "k_ij": 0.007303124289678 - }, - { - "id1": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "id2": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "k_ij": 0.0250879128785175 - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "k_ij": -0.0005114837810428 - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "k_ij": -0.0032655509244404 - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0514992793761948 - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": -0.0066903303696089 - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0052923249596359 - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "k_ij": 0.011383713557495 - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "k_ij": 1.384276432464544e-05 - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "k_ij": -0.0016118735755971 - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "k_ij": -0.0136985837660279 - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0545917586032085 - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0114814039626288 - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.124480201863132 - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "k_ij": -0.0413444509128146 - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0195941989433217 - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": -0.0858197350025975 - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": -0.0483778539190648 - }, - { - "id1": { - "cas": "112-72-1", - "name": "1-tetradecanol", - "iupac_name": "tetradecan-1-ol", - "smiles": "CCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0033684979828394 - }, - { - "id1": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1258101416887732 - }, - { - "id1": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "k_ij": -0.0109110914507342 - }, - { - "id1": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "k_ij": 3.494451264120715e-05 - }, - { - "id1": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1322436445338786 - }, - { - "id1": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0097752377253068 - }, - { - "id1": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "id2": { - "cas": "2244-16-8", - "name": "(s)-(+)-carvone", - "iupac_name": "(5s)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one", - "smiles": "C=C(C)[C@@H]1CC=C(C)C(=O)C1", - "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1" - }, - "k_ij": 0.0069785201233177 - }, - { - "id1": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0832737754627806 - }, - { - "id1": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "id2": { - "cas": "627-20-3", - "name": "cis-2-pentene", - "iupac_name": "(z)-pent-2-ene", - "smiles": "C/C=C\\CC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-" - }, - "k_ij": 0.0333115713053377 - }, - { - "id1": { - "cas": "539-82-2", - "name": "ethyl valerate", - "iupac_name": "ethyl pentanoate", - "smiles": "CCCCC(=O)OCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0733089822231559 - }, - { - "id1": { - "cas": "1190-76-7", - "name": "cis-crotonitrile", - "iupac_name": "(z)-but-2-enenitrile", - "smiles": "C/C=C\\C#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-" - }, - "id2": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "k_ij": -0.0009724061648092 - }, - { - "id1": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0198723507813855 - }, - { - "id1": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0483736149960231 - }, - { - "id1": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.028679106716644 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "k_ij": 0.0342954590736037 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": -0.0042250648864174 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0247351823897306 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": -0.0883503842425245 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0190735707817181 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0066199710345167 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.0097168561399185 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0172628855160368 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "353-59-3", - "name": "bromochlorodifluoromethane [r12b1]", - "iupac_name": "bromo-chloro-difluoromethane", - "smiles": "FC(F)(Cl)Br", - "inchi": "InChI=1S/CBrClF2/c2-1(3,4)5" - }, - "k_ij": 0.0463993445403941 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "k_ij": 0.0565000356167726 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0163425551377233 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0164049303071745 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0075851037379046 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "k_ij": 0.0174435223945644 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "k_ij": -0.0175586370987714 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": -0.0324415246950473 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": -0.0180982638284829 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.0208062488104146 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": -0.0320990926347675 - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "k_ij": -0.0100447631522153 - }, - { - "id1": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0351103534387574 - }, - { - "id1": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.2790486514437547 - }, - { - "id1": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0124542559534964 - }, - { - "id1": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": -0.0089873940834563 - }, - { - "id1": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "k_ij": 0.0031303358415554 - }, - { - "id1": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1988794609003523 - }, - { - "id1": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0686617775667739 - }, - { - "id1": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.1524455616266143 - }, - { - "id1": { - "cas": "589-98-0", - "name": "3-octanol", - "iupac_name": "octan-3-ol", - "smiles": "CCCCCC(O)CC", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.009419734216033 - }, - { - "id1": { - "cas": "123-96-6", - "name": "2-octanol", - "iupac_name": "octan-2-ol", - "smiles": "CCCCCCC(C)O", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1039012915398134 - }, - { - "id1": { - "cas": "1077-16-3", - "name": "hexylbenzene", - "iupac_name": "hexylbenzene", - "smiles": "CCCCCCc1ccccc1", - "inchi": "InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1403333044541481 - }, - { - "id1": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0198639315298998 - }, - { - "id1": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0391818731942171 - }, - { - "id1": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.0210335001388789 - }, - { - "id1": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.00637984270191 - }, - { - "id1": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.0020281520089477 - }, - { - "id1": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.032421601372338 - }, - { - "id1": { - "cas": "105-30-6", - "name": "2-methyl-1-pentanol", - "iupac_name": "2-methylpentan-1-ol", - "smiles": "CCCC(C)CO", - "inchi": "InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.0705479085730292 - }, - { - "id1": { - "cas": "594-27-4", - "name": "tetramethylstannane", - "iupac_name": "tetramethylstannane", - "smiles": "[CH3].[CH3].[CH3].[CH3].[Sn]", - "inchi": "InChI=1S/4CH3.Sn/h4*1H3;" - }, - "id2": { - "cas": "1445-79-0", - "name": "trimethylgallium", - "iupac_name": "trimethylgallane", - "smiles": "[CH3].[CH3].[CH3].[Ga]", - "inchi": "InChI=1S/3CH3.Ga/h3*1H3;" - }, - "k_ij": 0.0331777649216049 - }, - { - "id1": { - "cas": "294-62-2", - "name": "cyclododecane", - "iupac_name": "cyclododecane", - "smiles": "C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" - }, - "id2": { - "cas": "830-13-7", - "name": "cyclododecanone", - "iupac_name": "cyclododecanone", - "smiles": "O=C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2" - }, - "k_ij": 0.0144835505124688 - }, - { - "id1": { - "cas": "1078-71-3", - "name": "heptylbenzene", - "iupac_name": "heptylbenzene", - "smiles": "CCCCCCCc1ccccc1", - "inchi": "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1562829062286767 - }, - { - "id1": { - "cas": "1078-71-3", - "name": "heptylbenzene", - "iupac_name": "heptylbenzene", - "smiles": "CCCCCCCc1ccccc1", - "inchi": "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0737793522615663 - }, - { - "id1": { - "cas": "95-15-8", - "name": "benzo(b)thiophene", - "iupac_name": "1-benzothiophene", - "smiles": "c1ccc2sccc2c1", - "inchi": "InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.2322024904519838 - }, - { - "id1": { - "cas": "97-53-0", - "name": "eugenol", - "iupac_name": "2-methoxy-4-prop-2-enylphenol", - "smiles": "C=CCc1ccc(O)c(OC)c1", - "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.1528999726567253 - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0021721165064484 - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.1054625977351939 - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.1278798342598898 - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0345624637190509 - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "k_ij": 0.0312011701815915 - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "k_ij": 0.0332969130468119 - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": 0.0389559582044794 - }, - { - "id1": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "k_ij": 0.2124380826665196 - }, - { - "id1": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0407774423964735 - }, - { - "id1": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0438421853052943 - }, - { - "id1": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0510673024680245 - }, - { - "id1": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.1119176292970628 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "k_ij": 0.0597617573623017 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0506396734479368 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.105960191609644 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0848654226932699 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": -0.0347536475083231 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0028809236662293 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": -0.0165562363338306 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "k_ij": 0.0156824279038921 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" - }, - "k_ij": 0.1355876315852805 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "k_ij": 0.0812466147824634 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "110-59-8", - "name": "pentanenitrile", - "iupac_name": "pentanenitrile", - "smiles": "CCCCC#N", - "inchi": "InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3" - }, - "k_ij": 0.0467544049808098 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0317733574140274 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0584856831269212 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "90-13-1", - "name": "1-chloronaphthalene", - "iupac_name": "1-chloronaphthalene", - "smiles": "Clc1cccc2ccccc12", - "inchi": "InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "k_ij": 0.1545377900947221 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "111-25-1", - "name": "1-bromohexane", - "iupac_name": "1-bromohexane", - "smiles": "CCCCCCBr", - "inchi": "InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "k_ij": 0.1190080222602078 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "k_ij": 0.1178438783963269 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "88-18-6", - "name": "2-tert-butylphenol", - "iupac_name": "2-tert-butylphenol", - "smiles": "CC(C)(C)c1ccccc1O", - "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3" - }, - "k_ij": 0.1110940888072213 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0730375205240015 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0127311062286434 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "630-02-4", - "name": "octacosane", - "iupac_name": "octacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" - }, - "k_ij": 0.1691380627164685 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "78-82-0", - "name": "isobutyronitrile", - "iupac_name": "2-methylpropanenitrile", - "smiles": "CC(C)C#N", - "inchi": "InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3" - }, - "k_ij": 0.0075661993519195 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -1.920611803316827e-05 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "78-40-0", - "name": "triethyl phosphate", - "iupac_name": "triethyl phosphate", - "smiles": "CCOP(=O)(OCC)OCC", - "inchi": "InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3" - }, - "k_ij": 0.0549489935229163 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "smiles": "FC(F)=C(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "k_ij": 0.0384708631568677 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-11-5", - "name": "p-anisaldehyde", - "iupac_name": "4-methoxybenzaldehyde", - "smiles": "COc1ccc(C=O)cc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3" - }, - "k_ij": 0.0502959529217212 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "k_ij": 0.0745705520317226 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "122-79-2", - "name": "acetic acid phenyl ester", - "iupac_name": "phenyl acetate", - "smiles": "CC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3" - }, - "k_ij": 0.0458611450913772 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "k_ij": 0.0577987366183672 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0492601487675155 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "682-01-9", - "name": "propyl silicate", - "iupac_name": "tetrapropyl silicate", - "smiles": "CCCO[Si](OCCC)(OCCC)OCCC", - "inchi": "InChI=1S/C12H28O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-12H2,1-4H3" - }, - "k_ij": 0.1205082837719015 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "593-53-3", - "name": "methyl fluoride [r41]", - "iupac_name": "fluoromethane", - "smiles": "CF", - "inchi": "InChI=1S/CH3F/c1-2/h1H3" - }, - "k_ij": -0.0575675056016499 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "622-97-9", - "name": "p-methyl-styrene", - "iupac_name": "1-ethenyl-4-methylbenzene", - "smiles": "C=Cc1ccc(C)cc1", - "inchi": "InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3" - }, - "k_ij": 0.0105776308036923 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "1678-92-8", - "name": "n-propyl cyclohexane", - "iupac_name": "propylcyclohexane", - "smiles": "CCCC1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.1728266949349763 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "102-76-1", - "name": "1,2,3-propanetriol-triacetate", - "iupac_name": "2,3-diacetyloxypropyl acetate", - "smiles": "CC(=O)OCC(COC(C)=O)OC(C)=O", - "inchi": "InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3" - }, - "k_ij": 0.0326811445030083 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "628-73-9", - "name": "hexanenitrile", - "iupac_name": "hexanenitrile", - "smiles": "CCCCCC#N", - "inchi": "InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3" - }, - "k_ij": 0.0882548580755765 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0576037547990322 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "k_ij": -0.030902740769943 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "632-22-4", - "name": "1,1,3,3-tetramethyl urea", - "iupac_name": "1,1,3,3-tetramethylurea", - "smiles": "CN(C)C(=O)N(C)C", - "inchi": "InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3" - }, - "k_ij": 0.063685426817891 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "106-32-1", - "name": "octanoic acid ethyl ester", - "iupac_name": "ethyl octanoate", - "smiles": "CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3" - }, - "k_ij": 0.096884630612661 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "2244-16-8", - "name": "(s)-(+)-carvone", - "iupac_name": "(5s)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one", - "smiles": "C=C(C)[C@@H]1CC=C(C)C(=O)C1", - "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1" - }, - "k_ij": 0.0728060359836532 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0780409094089216 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "1678-93-9", - "name": "n-butylcyclohexane", - "iupac_name": "butylcyclohexane", - "smiles": "CCCCC1CCCCC1", - "inchi": "InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3" - }, - "k_ij": 0.1768477411213071 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "k_ij": 0.0565291199427374 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "638-49-3", - "name": "amyl formate", - "iupac_name": "pentyl formate", - "smiles": "CCCCCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3" - }, - "k_ij": 0.0273441583107934 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "112-73-2", - "name": "diethylene glycol dibutyl ether", - "iupac_name": "1-[2-(2-butoxyethoxy)ethoxy]butane", - "smiles": "CCCCOCCOCCOCCCC", - "inchi": "InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3" - }, - "k_ij": 0.1326162815945689 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "112-31-2", - "name": "n-decanal", - "iupac_name": "decanal", - "smiles": "CCCCCCCCCC=O", - "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3" - }, - "k_ij": 0.0846944592011439 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "k_ij": 0.0555214648002251 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "k_ij": 0.0846947243722521 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0772452129421641 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "k_ij": 0.096274499806493 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "k_ij": 0.0459973632947996 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "k_ij": 0.0616182356646034 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "k_ij": 0.1049820492223749 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "k_ij": 0.1191389473867634 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "k_ij": 0.0587271179414356 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0049794488106876 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "592-88-1", - "name": "allyl sulfide", - "iupac_name": "3-prop-2-enylsulfanylprop-1-ene", - "smiles": "C=CCSCC=C", - "inchi": "InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2" - }, - "k_ij": 0.129571355888137 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "106-73-0", - "name": "methyl heptanoate", - "iupac_name": "methyl heptanoate", - "smiles": "CCCCCCC(=O)OC", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3" - }, - "k_ij": 0.0742570101806305 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-76-2", - "name": "levulinic acid", - "iupac_name": "4-oxopentanoic acid", - "smiles": "CC(=O)CCC(=O)O", - "inchi": "InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)" - }, - "k_ij": 0.1314306361483908 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "k_ij": 0.0819373192707001 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "102-09-0", - "name": "diphenyl carbonate", - "iupac_name": "diphenyl carbonate", - "smiles": "O=C(Oc1ccccc1)Oc1ccccc1", - "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": 0.0969862027557934 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "112-15-2", - "name": "diethylene glycol monoethyl ether acetate", - "iupac_name": "2-(2-ethoxyethoxy)ethyl acetate", - "smiles": "CCOCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3" - }, - "k_ij": 0.0870022239478663 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "k_ij": 0.0899884578284452 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.1145694855522963 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0367400961742738 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "106-33-2", - "name": "dodecanoic acid ethyl ester", - "iupac_name": "ethyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3" - }, - "k_ij": 0.1041416804576405 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "7452-79-1", - "name": "2-methylbutanoic acid ethyl ester", - "iupac_name": "ethyl 2-methylbutanoate", - "smiles": "CCOC(=O)C(C)CC", - "inchi": "InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.0937614380033619 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "306-94-5", - "name": "perfluorodecalin ", - "iupac_name": "1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene", - "smiles": "FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F", - "inchi": "InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16" - }, - "k_ij": 0.1675155454428758 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "k_ij": 0.0220795138134659 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "138-22-7", - "name": "n-butyl lactate", - "iupac_name": "butyl 2-hydroxypropanoate", - "smiles": "CCCCOC(=O)C(C)O", - "inchi": "InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3" - }, - "k_ij": 0.0604521202029211 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "609-08-5", - "name": "diethyl methylmalonate", - "iupac_name": "diethyl 2-methylpropanedioate", - "smiles": "CCOC(=O)C(C)C(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3" - }, - "k_ij": 0.056373141054216 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "k_ij": 0.0531747106615902 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "621-70-5", - "name": "hexanoic acid 1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(hexanoyloxy)propyl hexanoate", - "smiles": "CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC", - "inchi": "InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3" - }, - "k_ij": 0.0865054549973688 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "k_ij": 0.0970122714487161 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "k_ij": 0.1013738410855047 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-62-6", - "name": "propionic anhydride", - "iupac_name": "propanoyl propanoate", - "smiles": "CCC(=O)OC(=O)CC", - "inchi": "InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0353913812680074 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0441497518738158 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "k_ij": 0.0393646051244354 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "k_ij": 0.1408117879334838 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "4766-57-8", - "name": "butyl silicate", - "iupac_name": "tetrabutyl silicate", - "smiles": "CCCCO[Si](OCCCC)(OCCCC)OCCCC", - "inchi": "InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3" - }, - "k_ij": 0.1173138156835824 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.0352197254816677 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "110-38-3", - "name": "decanoic acid ethyl ester", - "iupac_name": "ethyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3" - }, - "k_ij": 0.1019344006395243 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "434-64-0", - "name": "perfluorotoluene", - "iupac_name": "1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene", - "smiles": "Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F", - "inchi": "InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10" - }, - "k_ij": 0.0819913518062645 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "120-61-6", - "name": "dimethyl terephthalate", - "iupac_name": "dimethyl benzene-1,4-dicarboxylate", - "smiles": "COC(=O)c1ccc(C(=O)OC)cc1", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3" - }, - "k_ij": 0.0756777462947837 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "1191-95-3", - "name": "cyclobutanone", - "iupac_name": "cyclobutanone", - "smiles": "O=C1CCC1", - "inchi": "InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2" - }, - "k_ij": 0.0002666912277734 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "k_ij": 0.0326648467953868 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "k_ij": 0.2164158538958443 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "163702-05-4", - "name": "nonafluorobutyl ethyl ether", - "iupac_name": "1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane", - "smiles": "CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3" - }, - "k_ij": 0.0913551083505843 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "539-88-8", - "name": "4-oxo-pentanoic acid ethyl ester", - "iupac_name": "ethyl 4-oxopentanoate", - "smiles": "CCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3" - }, - "k_ij": 0.0605418836022266 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": 0.0493181807421568 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "756-13-8", - "name": "dodecafluoro-2-methylpentan-3-one", - "iupac_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one", - "smiles": "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18" - }, - "k_ij": 0.1098181564318437 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.0261538415958085 - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "2052-15-5", - "name": "levulinic acid n-butyl ester", - "iupac_name": "butyl 4-oxopentanoate", - "smiles": "CCCCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3" - }, - "k_ij": 0.0541851948879197 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "k_ij": 0.0116496289604277 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": -0.0048941818368791 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0072479001394537 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0175407598483995 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0417440178360937 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "4390-04-9", - "name": "2,2,4,4,6,8,8-heptamethylnonane", - "iupac_name": "2,2,4,4,6,8,8-heptamethylnonane", - "smiles": "CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3" - }, - "k_ij": 0.0725697880348544 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" - }, - "k_ij": 0.0283625215984295 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "k_ij": 0.0251913635895151 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "k_ij": 0.0357725835570987 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "k_ij": 0.0075746938948481 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "1678-92-8", - "name": "n-propyl cyclohexane", - "iupac_name": "propylcyclohexane", - "smiles": "CCCC1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.053032744285562 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "123-01-3", - "name": "1-phenyldodecane", - "iupac_name": "dodecylbenzene", - "smiles": "CCCCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3" - }, - "k_ij": 0.0247491436251328 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.0708211631322613 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "k_ij": 0.0850782466149024 - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "335-27-3", - "name": "perfluoro-1,3-dimethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F", - "inchi": "InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14" - }, - "k_ij": 0.0914641341424434 - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "k_ij": 0.0131549743017903 - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 1.2714313310830988e-05 - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0215521366995831 - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": 0.0439722879428705 - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "k_ij": 0.027670832194574 - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "375-96-2", - "name": "perfluorononane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-icosafluorononane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C9F20/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29" - }, - "k_ij": 0.0955583658582658 - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "k_ij": 0.0192027391835993 - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.1073851008983797 - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "k_ij": 0.0642153025816316 - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "k_ij": 0.0971433919284674 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "k_ij": 0.0036123741700123 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "k_ij": 0.0287592370137526 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "k_ij": 0.1026857465469487 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.1077910715824783 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0855782123606229 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "630-02-4", - "name": "octacosane", - "iupac_name": "octacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" - }, - "k_ij": 0.0175348214949949 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "k_ij": 0.0052129093998538 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "k_ij": 0.0780451059556211 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "1678-92-8", - "name": "n-propyl cyclohexane", - "iupac_name": "propylcyclohexane", - "smiles": "CCCC1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "k_ij": 0.0352060678564014 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "k_ij": 0.0103147554692405 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "6742-54-7", - "name": "1-phenylundecane", - "iupac_name": "undecylbenzene", - "smiles": "CCCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3" - }, - "k_ij": 5.350149711039922e-05 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.078605541997437 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "k_ij": 0.089466454157992 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "97-93-8", - "name": "triethylaluminum", - "iupac_name": "triethylalumane", - "smiles": "[Al].[CH2]C.[CH2]C.[CH2]C", - "inchi": "InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3;" - }, - "k_ij": -7.438144386416773e-05 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "929-77-1", - "name": "docosanoic acid methyl ester", - "iupac_name": "methyl docosanoate", - "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3" - }, - "k_ij": -0.0086281010501661 - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.0592058159750014 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0649848779777816 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.0544855971369731 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.096805528955366 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0577671851099692 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": -0.003435341464509 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "k_ij": 0.0193012599260556 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "463-49-0", - "name": "propadiene", - "iupac_name": "propa-1,2-diene", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "k_ij": 0.00717384635272 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "374-07-2", - "name": "1,1-dichloro tetrafluoro ethane [r114a]", - "iupac_name": "1,1-dichloro-1,2,2,2-tetrafluoroethane", - "smiles": "FC(F)(F)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0348373303542467 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "557-98-2", - "name": "2-chloropropylene", - "iupac_name": "2-chloroprop-1-ene", - "smiles": "C=C(C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "k_ij": -0.0005743163704267 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0527566799451958 - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "k_ij": 0.0786648796745694 - }, - { - "id1": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "id2": { - "cas": "630-02-4", - "name": "octacosane", - "iupac_name": "octacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" - }, - "k_ij": 0.10770579132803 - }, - { - "id1": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0170608220827354 - }, - { - "id1": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "k_ij": 0.0678546004922435 - }, - { - "id1": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "k_ij": -0.0059712105671108 - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "k_ij": 0.0084477367038402 - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": 0.0192452897580878 - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0197973131306575 - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0156808497501853 - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "k_ij": -6.364065730969627e-06 - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0017645083455939 - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "k_ij": -0.0142289660103826 - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "359-10-4", - "name": "1-chloro-2,2-difluoroethylene (r1122)", - "iupac_name": "2-chloro-1,1-difluoroethene", - "smiles": "FC(F)=CCl", - "inchi": "InChI=1S/C2HClF2/c3-1-2(4)5/h1H" - }, - "k_ij": -0.0180538742016757 - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": -0.0149849778596886 - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.0310964683500737 - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "k_ij": -0.0120151332898756 - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "k_ij": 0.0787075374865196 - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "k_ij": 0.0449269137700448 - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.0028435709116935 - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "k_ij": 0.0564540187523025 - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0433512843619402 - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0019008512277039 - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.0151105103175324 - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.0021066384803027 - }, - { - "id1": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "id2": { - "cas": "544-01-4", - "name": "diisopentyl ether", - "iupac_name": "3-methyl-1-(3-methylbutoxy)butane", - "smiles": "CC(C)CCOCCC(C)C", - "inchi": "InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3" - }, - "k_ij": 0.0035057330057137 - }, - { - "id1": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "k_ij": -0.1393940463863906 - }, - { - "id1": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "id2": { - "cas": "80-73-9", - "name": "1,3-dimethylimidazolidin-2-one", - "iupac_name": "1,3-dimethylimidazolidin-2-one", - "smiles": "CN1CCN(C)C1=O", - "inchi": "InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3" - }, - "k_ij": -0.1339927479116956 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": -0.009330043163369 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "k_ij": -0.005392024204434 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "k_ij": 0.0704431538370477 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "smiles": "FC(F)=C(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "k_ij": 0.0130386943916303 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "k_ij": 0.0128045536537288 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0364184559469132 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "359-11-5", - "name": "trifluoroethene (r1123)", - "iupac_name": "1,1,2-trifluoroethene", - "smiles": "FC=C(F)F", - "inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H" - }, - "k_ij": 0.007349327878408 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0011014864163161 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "k_ij": 0.0633770424761682 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0211567822396329 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": -0.0015146094733512 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": -0.0029210941968464 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "FC(F)C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "k_ij": -0.0240963471693022 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.0074775101497458 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": -0.0234625154071257 - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "k_ij": -0.0297580732925807 - }, - { - "id1": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-62-7", - "name": "bromotrichloromethane [r10b1]", - "iupac_name": "bromo(trichloro)methane", - "smiles": "ClC(Cl)(Cl)Br", - "inchi": "InChI=1S/CBrCl3/c2-1(3,4)5" - }, - "k_ij": 0.0062346193810394 - }, - { - "id1": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "k_ij": -0.031257957281759 - }, - { - "id1": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "id2": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "k_ij": -0.0137272926766695 - }, - { - "id1": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "id2": { - "cas": "105-53-3", - "name": "diethyl malonate", - "iupac_name": "diethyl propanedioate", - "smiles": "CCOC(=O)CC(=O)OCC", - "inchi": "InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3" - }, - "k_ij": -0.0055334892509218 - }, - { - "id1": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "k_ij": 0.0062271824324251 - }, - { - "id1": { - "cas": "1119-40-0", - "name": "dimethyl glutarate", - "iupac_name": "dimethyl pentanedioate", - "smiles": "COC(=O)CCCC(=O)OC", - "inchi": "InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0037381909079098 - }, - { - "id1": { - "cas": "1119-40-0", - "name": "dimethyl glutarate", - "iupac_name": "dimethyl pentanedioate", - "smiles": "COC(=O)CCCC(=O)OC", - "inchi": "InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "106-65-0", - "name": "dimethyl succinate", - "iupac_name": "dimethyl butanedioate", - "smiles": "COC(=O)CCC(=O)OC", - "inchi": "InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0052157523461857 - }, - { - "id1": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "593-53-3", - "name": "methyl fluoride [r41]", - "iupac_name": "fluoromethane", - "smiles": "CF", - "inchi": "InChI=1S/CH3F/c1-2/h1H3" - }, - "k_ij": 0.0597456205028934 - }, - { - "id1": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.038641342711644 - }, - { - "id1": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "k_ij": 0.0186170508491208 - }, - { - "id1": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "k_ij": 0.025710394241636 - }, - { - "id1": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "k_ij": 0.014656695489029 - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "k_ij": -0.0037681732028067 - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "75-19-4", - "name": "cyclopropane", - "iupac_name": "cyclopropane", - "smiles": "C1CC1", - "inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2" - }, - "k_ij": 0.0642602538369103 - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0015050548190082 - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "k_ij": 0.0019268406047367 - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "421-14-7", - "name": "trifluoromethoxymethane", - "iupac_name": "trifluoro(methoxy)methane", - "smiles": "COC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3" - }, - "k_ij": -0.0104408758555393 - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.002882774639487 - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": 0.0060020804158302 - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "FC(F)C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "k_ij": 0.0071725554492566 - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.0041032558504719 - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": -0.0044819616965835 - }, - { - "id1": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-65-0", - "name": "dimethyl succinate", - "iupac_name": "dimethyl butanedioate", - "smiles": "COC(=O)CCC(=O)OC", - "inchi": "InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3" - }, - "k_ij": 0.0049311899639259 - }, - { - "id1": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "k_ij": 0.0102624023523814 - }, - { - "id1": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": -0.0508224833261626 - }, - { - "id1": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "k_ij": -0.003017833234589 - }, - { - "id1": { - "cas": "100-00-5", - "name": "4-chloronitrobenzene", - "iupac_name": "1-chloro-4-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" - }, - "id2": { - "cas": "88-73-3", - "name": "2-chloronitrobenzene", - "iupac_name": "1-chloro-2-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1Cl", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" - }, - "k_ij": -0.0100918930624779 - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "k_ij": -0.0387208577102325 - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "k_ij": -0.034915064307149 - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "540-67-0", - "name": "methyl ethyl ether", - "iupac_name": "methoxyethane", - "smiles": "CCOC", - "inchi": "InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3" - }, - "k_ij": -0.0532904039751881 - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "7226-23-5", - "name": "n,n'-dimethylpropylene urea ", - "iupac_name": "1,3-dimethyl-1,3-diazinan-2-one", - "smiles": "CN1CCCN(C)C1=O", - "inchi": "InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3" - }, - "k_ij": -0.1430928264234633 - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "k_ij": -0.1195713421573427 - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "628-80-8", - "name": "methyl pentyl ether", - "iupac_name": "1-methoxypentane", - "smiles": "CCCCCOC", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3" - }, - "k_ij": 0.0239433900923472 - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.024211967254985 - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "539-88-8", - "name": "4-oxo-pentanoic acid ethyl ester", - "iupac_name": "ethyl 4-oxopentanoate", - "smiles": "CCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3" - }, - "k_ij": -0.061100681729731 - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "2052-15-5", - "name": "levulinic acid n-butyl ester", - "iupac_name": "butyl 4-oxopentanoate", - "smiles": "CCCCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3" - }, - "k_ij": -0.0581848040024147 - }, - { - "id1": { - "cas": "96-43-5", - "name": "2-chlorothiophene", - "iupac_name": "2-chlorothiophene", - "smiles": "Clc1cccs1", - "inchi": "InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H" - }, - "id2": { - "cas": "3172-52-9", - "name": "2,5-dichlorothiophene", - "iupac_name": "2,5-dichlorothiophene", - "smiles": "Clc1ccc(Cl)s1", - "inchi": "InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H" - }, - "k_ij": 0.001390200724826 - }, - { - "id1": { - "cas": "502-49-8", - "name": "cyclooctanone", - "iupac_name": "cyclooctanone", - "smiles": "O=C1CCCCCCC1", - "inchi": "InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2" - }, - "id2": { - "cas": "696-71-9", - "name": "cyclooctanol", - "iupac_name": "cyclooctanol", - "smiles": "OC1CCCCCCC1", - "inchi": "InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2" - }, - "k_ij": 0.0974325566598509 - }, - { - "id1": { - "cas": "698-87-3", - "name": "1-phenyl-2-propanol", - "iupac_name": "1-phenylpropan-2-ol", - "smiles": "CC(O)Cc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3" - }, - "id2": { - "cas": "90-00-6", - "name": "2-ethylphenol", - "iupac_name": "2-ethylphenol", - "smiles": "CCc1ccccc1O", - "inchi": "InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3" - }, - "k_ij": -0.0080579710327153 - }, - { - "id1": { - "cas": "698-87-3", - "name": "1-phenyl-2-propanol", - "iupac_name": "1-phenylpropan-2-ol", - "smiles": "CC(O)Cc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "k_ij": -0.0073094798336431 - }, - { - "id1": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0438695430050682 - }, - { - "id1": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": 0.0330563864701822 - }, - { - "id1": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0088053008063378 - }, - { - "id1": { - "cas": "122-79-2", - "name": "acetic acid phenyl ester", - "iupac_name": "phenyl acetate", - "smiles": "CC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "k_ij": -0.0037417222284769 - }, - { - "id1": { - "cas": "122-79-2", - "name": "acetic acid phenyl ester", - "iupac_name": "phenyl acetate", - "smiles": "CC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "102-09-0", - "name": "diphenyl carbonate", - "iupac_name": "diphenyl carbonate", - "smiles": "O=C(Oc1ccccc1)Oc1ccccc1", - "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": -0.0002183061478013 - }, - { - "id1": { - "cas": "109-83-1", - "name": "n-methylethanolamine", - "iupac_name": "2-(methylamino)ethanol", - "smiles": "CNCCO", - "inchi": "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3" - }, - "id2": { - "cas": "105-59-9", - "name": "methyldiethanolamine (mdea)", - "iupac_name": "2-[2-hydroxyethyl(methyl)amino]ethanol", - "smiles": "CN(CCO)CCO", - "inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3" - }, - "k_ij": 0.0528539087223812 - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": -0.0253066054882627 - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "k_ij": -0.0657029554031112 - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": -0.0059948251499649 - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "k_ij": -0.0359910305156202 - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": -0.0444970770032253 - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.0231486384545678 - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": -0.0336823160597854 - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "k_ij": -0.0313799191958002 - }, - { - "id1": { - "cas": "628-90-0", - "name": "dimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxy)methane", - "smiles": "COCOCOC", - "inchi": "InChI=1S/C4H10O3/c1-5-3-7-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "13353-03-2", - "name": "trimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxy)methane", - "smiles": "COCOCOCOC", - "inchi": "InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3" - }, - "k_ij": 0.0045026988842885 - }, - { - "id1": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "k_ij": 0.0247215529217719 - }, - { - "id1": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.0191034445329222 - }, - { - "id1": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.007671802538023 - }, - { - "id1": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.0091579362354197 - }, - { - "id1": { - "cas": "359-11-5", - "name": "trifluoroethene (r1123)", - "iupac_name": "1,1,2-trifluoroethene", - "smiles": "FC=C(F)F", - "inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": 0.0128355176809105 - }, - { - "id1": { - "cas": "575-43-9", - "name": "1,6-dimethyl naphthalene", - "iupac_name": "1,6-dimethylnaphthalene", - "smiles": "Cc1ccc2c(C)cccc2c1", - "inchi": "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "smiles": "c1ccc2[nH]ccc2c1", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "k_ij": 0.0147135960544975 - }, - { - "id1": { - "cas": "90-00-6", - "name": "2-ethylphenol", - "iupac_name": "2-ethylphenol", - "smiles": "CCc1ccccc1O", - "inchi": "InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "k_ij": -0.0171675663941802 - }, - { - "id1": { - "cas": "1814-88-6", - "name": "1,1,1,2,2-pentafluoropropane", - "iupac_name": "1,1,1,2,2-pentafluoropropane", - "smiles": "CC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - } - }, - { - "id1": { - "cas": "75-19-4", - "name": "cyclopropane", - "iupac_name": "cyclopropane", - "smiles": "C1CC1", - "inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "k_ij": 0.063866301242894 - }, - { - "id1": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "102-09-0", - "name": "diphenyl carbonate", - "iupac_name": "diphenyl carbonate", - "smiles": "O=C(Oc1ccccc1)Oc1ccccc1", - "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H" - }, - "k_ij": -0.0038871245096192 - }, - { - "id1": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "6004-38-2", - "name": "tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "tricyclo[5.2.1.02,6]decane", - "smiles": "C1CC2C3CCC(C3)C2C1", - "inchi": "InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2" - }, - "k_ij": 0.0623934235919003 - }, - { - "id1": { - "cas": "109-76-2", - "name": "1,3-diaminopropane", - "iupac_name": "propane-1,3-diamine", - "smiles": "NCCCN", - "inchi": "InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2" - }, - "id2": { - "cas": "56-18-8", - "name": "bis(3-aminopropyl)amine", - "iupac_name": "n'-(3-aminopropyl)propane-1,3-diamine", - "smiles": "NCCCNCCCN", - "inchi": "InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2" - }, - "k_ij": -0.4942202286502163 - }, - { - "id1": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "id2": { - "cas": "463-49-0", - "name": "propadiene", - "iupac_name": "propa-1,2-diene", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "k_ij": 0.0085306189438073 - }, - { - "id1": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "558-30-5", - "name": "2,2-dimethyloxirane", - "iupac_name": "2,2-dimethyloxirane", - "smiles": "CC1(C)CO1", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3" - }, - "k_ij": -0.0033699713920913 - }, - { - "id1": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "k_ij": 0.065762494861682 - }, - { - "id1": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 0.0147927691489053 - }, - { - "id1": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": -0.0014427625657242 - }, - { - "id1": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "29118-25-0", - "name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C\\C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1-" - }, - "k_ij": 0.0586160192634196 - }, - { - "id1": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "1589-47-5", - "name": "2-methoxy-1-propanol", - "iupac_name": "2-methoxypropan-1-ol", - "smiles": "COC(C)CO", - "inchi": "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" - }, - "k_ij": 0.0269408253728267 - }, - { - "id1": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "k_ij": 0.0250107298088225 - }, - { - "id1": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "354-23-4", - "name": "1,2-dichloro-1,2,2-trifluoroethane [r123a]", - "iupac_name": "1,2-dichloro-1,1,2-trifluoroethane", - "smiles": "FC(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H" - }, - "k_ij": -0.0405590022245165 - }, - { - "id1": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "k_ij": 0.0073495779412394 - }, - { - "id1": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "id2": { - "cas": "18172-67-3", - "name": "(-)-beta-pinene", - "iupac_name": "(1s,5s)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CC[C@H]2C[C@@H]1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1" - }, - "k_ij": -0.0028502898922683 - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "k_ij": 0.0477821054208253 - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "k_ij": 0.0265479493441044 - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "k_ij": 0.0110480527891647 - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "421-14-7", - "name": "trifluoromethoxymethane", - "iupac_name": "trifluoro(methoxy)methane", - "smiles": "COC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3" - }, - "k_ij": -0.0130288088962218 - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "k_ij": 3.331626236052062e-05 - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "k_ij": 0.0033008618991248 - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "k_ij": -0.0034475866090573 - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.0054471498067784 - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": -0.0078822420630517 - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "k_ij": 0.0040429574617639 - }, - { - "id1": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "k_ij": 0.0235846176278459 - }, - { - "id1": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "id2": { - "cas": "6291-84-5", - "name": "n-methylpropane-1,3-diamine", - "iupac_name": "n'-methylpropane-1,3-diamine", - "smiles": "CNCCCN", - "inchi": "InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3" - }, - "k_ij": -0.0185264833147544 - }, - { - "id1": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "930-68-7", - "name": "2-cyclohexen-1-one", - "iupac_name": "cyclohex-2-en-1-one", - "smiles": "O=C1C=CCCC1", - "inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2" - }, - "k_ij": -0.0411889223242989 - }, - { - "id1": { - "cas": "111-40-0", - "name": "diethylenetriamine", - "iupac_name": "n'-(2-aminoethyl)ethane-1,2-diamine", - "smiles": "NCCNCCN", - "inchi": "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" - }, - "id2": { - "cas": "140-31-8", - "name": "n-(2-aminoethyl)piperazine", - "iupac_name": "2-piperazin-1-ylethanamine", - "smiles": "NCCN1CCNCC1", - "inchi": "InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2" - }, - "k_ij": 0.0275530948621562 - }, - { - "id1": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.0354919130038074 - }, - { - "id1": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "id2": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "k_ij": 0.0553167511387327 - }, - { - "id1": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "k_ij": 0.0507608397979639 - }, - { - "id1": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "k_ij": 0.0181153389304559 - }, - { - "id1": { - "cas": "124-73-2", - "name": "1,2-dibromotetrafluoroethane", - "iupac_name": "1,2-dibromo-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Br)C(F)(F)Br", - "inchi": "InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-61-6", - "name": "dibromodifluoromethane [r12b2]", - "iupac_name": "dibromo(difluoro)methane", - "smiles": "FC(F)(Br)Br", - "inchi": "InChI=1S/CBr2F2/c2-1(3,4)5" - }, - "k_ij": 0.0032359558007596 - }, - { - "id1": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.0322550047082261 - }, - { - "id1": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": -0.0221446287141582 - }, - { - "id1": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "k_ij": 0.0014858282456298 - }, - { - "id1": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "id2": { - "cas": "111-62-6", - "name": "(z)-9-octadecenoic acid ethyl ester", - "iupac_name": "ethyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-" - }, - "k_ij": 0.0093618128085167 - }, - { - "id1": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "id2": { - "cas": "544-35-4", - "name": "(z,z)-9,12-octadecadienoic acid ethyl ester", - "iupac_name": "ethyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-" - }, - "k_ij": 0.0024754161603706 - }, - { - "id1": { - "cas": "229-87-8", - "name": "phenanthridine", - "iupac_name": "phenanthridine", - "smiles": "c1ccc2c(c1)cnc1ccccc12", - "inchi": "InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H" - }, - "id2": { - "cas": "262-20-4", - "name": "phenoxathiin", - "iupac_name": "phenoxathiine", - "smiles": "c1ccc2c(c1)Oc1ccccc1S2", - "inchi": "InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H" - }, - "k_ij": -0.0259537467155805 - }, - { - "id1": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "id2": { - "cas": "421-14-7", - "name": "trifluoromethoxymethane", - "iupac_name": "trifluoro(methoxy)methane", - "smiles": "COC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3" - }, - "k_ij": -0.0188522741663866 - }, - { - "id1": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": -0.0011928091612151 - }, - { - "id1": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.0015300948623606 - }, - { - "id1": { - "cas": "10061-01-5", - "name": "cis-1,3-dichloro-1-propene", - "iupac_name": "(z)-1,3-dichloroprop-1-ene", - "smiles": "Cl/C=C\\CCl", - "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-" - }, - "id2": { - "cas": "10061-02-6", - "name": "trans-1,3-dichloro-1-propene", - "iupac_name": "(e)-1,3-dichloroprop-1-ene", - "smiles": "Cl/C=C/CCl", - "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+" - }, - "k_ij": -0.0003345856872417 - }, - { - "id1": { - "cas": "1445-79-0", - "name": "trimethylgallium", - "iupac_name": "trimethylgallane", - "smiles": "[CH3].[CH3].[CH3].[Ga]", - "inchi": "InChI=1S/3CH3.Ga/h3*1H3;" - }, - "id2": { - "cas": "1115-99-7", - "name": "triethylgallium", - "iupac_name": "triethylgallane", - "smiles": "[CH2]C.[CH2]C.[CH2]C.[Ga]", - "inchi": "InChI=1S/3C2H5.Ga/c3*1-2;/h3*1H2,2H3;" - }, - "k_ij": -0.0555379772992861 - }, - { - "id1": { - "cas": "1445-79-0", - "name": "trimethylgallium", - "iupac_name": "trimethylgallane", - "smiles": "[CH3].[CH3].[CH3].[Ga]", - "inchi": "InChI=1S/3CH3.Ga/h3*1H3;" - }, - "id2": { - "cas": "1184-58-3", - "name": "dimethylaluminum chloride", - "iupac_name": "chloro(dimethyl)alumane", - "smiles": "[Al+].[CH3].[CH3].[Cl-]", - "inchi": "InChI=1S/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1" - }, - "k_ij": -0.003402383126584 - }, - { - "id1": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "id2": { - "cas": "756-13-8", - "name": "dodecafluoro-2-methylpentan-3-one", - "iupac_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one", - "smiles": "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18" - }, - "k_ij": 0.0186120943493763 - }, - { - "id1": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "id2": { - "cas": "756-13-8", - "name": "dodecafluoro-2-methylpentan-3-one", - "iupac_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one", - "smiles": "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18" - }, - "k_ij": 0.0087398817844883 - }, - { - "id1": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "k_ij": 0.0065378124552367 - }, - { - "id1": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "id2": { - "cas": "2730-62-3", - "name": "2-chloro-3,3,3-trifluoropropene", - "iupac_name": "2-chloro-3,3,3-trifluoroprop-1-ene", - "smiles": "C=C(Cl)C(F)(F)F", - "inchi": "InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2" - }, - "k_ij": 0.0125714845198128 - }, - { - "id1": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "k_ij": 0.0080135025939028 - } -] \ No newline at end of file diff --git a/parameters/pcsaft/rehner2023_hetero.json b/parameters/pcsaft/rehner2023_hetero.json deleted file mode 100644 index 19ac50bab..000000000 --- a/parameters/pcsaft/rehner2023_hetero.json +++ /dev/null @@ -1,220 +0,0 @@ -[ - { - "identifier": "CH3", - "molarweight": 15.0345, - "m": 0.77247, - "sigma": 3.6937, - "epsilon_k": 181.49 - }, - { - "identifier": "CH2", - "molarweight": 14.02658, - "m": 0.7912, - "sigma": 3.0207, - "epsilon_k": 157.23 - }, - { - "identifier": ">CH", - "molarweight": 13.01854, - "m": 0.52235, - "sigma": 0.99912, - "epsilon_k": 269.84 - }, - { - "identifier": ">C<", - "molarweight": 12.0107, - "m": -0.70131, - "sigma": 0.5435, - "epsilon_k": 0.0 - }, - { - "identifier": "=CH2", - "molarweight": 14.02658, - "m": 0.70581, - "sigma": 3.163, - "epsilon_k": 171.34 - }, - { - "identifier": "=CH", - "molarweight": 13.01854, - "m": 0.90182, - "sigma": 2.8864, - "epsilon_k": 158.9 - }, - { - "identifier": "=C<", - "molarweight": 12.0107, - "m": 0.98505, - "sigma": 2.245, - "epsilon_k": 146.86 - }, - { - "identifier": "C≡CH", - "molarweight": 25.02924, - "m": 1.1615, - "sigma": 3.3187, - "epsilon_k": 255.13 - }, - { - "identifier": "CH2_hex", - "molarweight": 14.02658, - "m": 0.8793, - "sigma": 2.9995, - "epsilon_k": 157.93 - }, - { - "identifier": "CH_hex", - "molarweight": 13.01854, - "m": 0.42115, - "sigma": 1.3078, - "epsilon_k": 131.79 - }, - { - "identifier": "CH2_pent", - "molarweight": 14.02658, - "m": 0.90057, - "sigma": 3.0437, - "epsilon_k": 158.34 - }, - { - "identifier": "CH_pent", - "molarweight": 13.01854, - "m": 0.69343, - "sigma": 1.2894, - "epsilon_k": 140.69 - }, - { - "identifier": "CH_arom", - "molarweight": 13.01854, - "m": 0.88259, - "sigma": 2.9475, - "epsilon_k": 156.51 - }, - { - "identifier": "C_arom", - "molarweight": 12.0107, - "m": 0.77531, - "sigma": 1.6719, - "epsilon_k": 178.81 - }, - { - "identifier": "CH=O", - "molarweight": 29.01754, - "m": 1.1889, - "sigma": 3.2948, - "epsilon_k": 316.91, - "mu": 2.4126, - "association_sites": [ - { - "nb": 1, - "kappa_ab": 0.009583, - "epsilon_k_ab": 2280.0366222356424 - } - ] - }, - { - "identifier": ">C=O", - "molarweight": 28.0097, - "m": 1.1889, - "sigma": 3.1026, - "epsilon_k": 280.43, - "mu": 3.4167, - "association_sites": [ - { - "nb": 1, - "kappa_ab": 0.009583, - "epsilon_k_ab": 2054.866269673726 - } - ] - }, - { - "identifier": "OCH3", - "molarweight": 31.03322, - "m": 1.1907, - "sigma": 2.7795, - "epsilon_k": 284.91, - "mu": 0.0, - "association_sites": [ - { - "nb": 1, - "kappa_ab": 0.009583, - "epsilon_k_ab": 1317.5736596522224 - } - ] - }, - { - "identifier": "OCH2", - "molarweight": 30.02538, - "m": 1.1817, - "sigma": 3.009, - "epsilon_k": 203.11, - "mu": 2.6945, - "association_sites": [ - { - "nb": 1, - "kappa_ab": 0.009583, - "epsilon_k_ab": 1317.5736596522224 - } - ] - }, - { - "identifier": "HCOO", - "molarweight": 45.01654, - "m": 1.2789, - "sigma": 3.373, - "epsilon_k": 307.44, - "mu": 2.6808, - "association_sites": [ - { - "nb": 2, - "kappa_ab": 0.009583, - "epsilon_k_ab": 790.1460808205942 - } - ] - }, - { - "identifier": "COO", - "molarweight": 44.0087, - "m": 1.2869, - "sigma": 3.0643, - "epsilon_k": 273.9, - "mu": 3.3428, - "association_sites": [ - { - "nb": 2, - "kappa_ab": 0.009583, - "epsilon_k_ab": 1417.55026169603 - } - ] - }, - { - "identifier": "OH", - "molarweight": 17.00734, - "m": 1.0231, - "sigma": 2.7702, - "epsilon_k": 334.29, - "association_sites": [ - { - "na": 1, - "nb": 1, - "kappa_ab": 0.009583, - "epsilon_k_ab": 2575.9 - } - ] - }, - { - "identifier": "NH2", - "molarweight": 16.02238, - "m": 0.82284, - "sigma": 3.1129, - "epsilon_k": 309.93, - "association_sites": [ - { - "na": 1, - "nb": 1, - "kappa_ab": 0.005769, - "epsilon_k_ab": 1471.5 - } - ] - } -] \ No newline at end of file diff --git a/parameters/pcsaft/rehner2023_hetero_binary.json b/parameters/pcsaft/rehner2023_hetero_binary.json deleted file mode 100644 index 4ad4fb11b..000000000 --- a/parameters/pcsaft/rehner2023_hetero_binary.json +++ /dev/null @@ -1,672 +0,0 @@ -[ - { - "id1": "CH3", - "id2": "C≡CH", - "k_ij": 0.1652754031504817 - }, - { - "id1": "CH2", - "id2": "C≡CH", - "k_ij": -0.006553805247652898 - }, - { - "id1": ">CH", - "id2": "C≡CH", - "k_ij": -0.45179562711827204 - }, - { - "id1": ">CH", - "id2": "CH_arom", - "k_ij": -0.2623133986577006 - }, - { - "id1": "CH3", - "id2": "C_arom", - "k_ij": 0.1029438146806397 - }, - { - "id1": "CH2", - "id2": "C_arom", - "k_ij": -0.019417887747868838 - }, - { - "id1": ">C<", - "id2": "C_arom", - "k_ij": 0.0 - }, - { - "id1": "CH3", - "id2": "CH_arom", - "k_ij": 0.03524440115729556 - }, - { - "id1": "CH2", - "id2": "CH_arom", - "k_ij": -0.005376660474268035 - }, - { - "id1": ">C<", - "id2": "CH_arom", - "k_ij": 0.0 - }, - { - "id1": ">CH", - "id2": "C_arom", - "k_ij": -0.4536159179058391 - }, - { - "id1": "CH3", - "id2": "CH=O", - "k_ij": 0.07114002498453002 - }, - { - "id1": "CH2", - "id2": "CH=O", - "k_ij": 0.05810424929073859 - }, - { - "id1": ">C=O", - "id2": "CH3", - "k_ij": 0.06638452980811302 - }, - { - "id1": ">C=O", - "id2": "CH2", - "k_ij": 0.053964852486994674 - }, - { - "id1": ">C=O", - "id2": ">CH", - "k_ij": -0.01886821792425231 - }, - { - "id1": ">C<", - "id2": ">C=O", - "k_ij": 0.0 - }, - { - "id1": "CH3", - "id2": "OCH2", - "k_ij": 0.0040270442665658705 - }, - { - "id1": ">CH", - "id2": "OCH3", - "k_ij": -0.217389127174595 - }, - { - "id1": "CH2", - "id2": "OCH2", - "k_ij": -0.015001007000489858 - }, - { - "id1": ">C<", - "id2": "OCH2", - "k_ij": 0.0 - }, - { - "id1": "CH3", - "id2": "OCH3", - "k_ij": 0.04370031373865 - }, - { - "id1": ">CH", - "id2": "OCH2", - "k_ij": -0.038601031822155345 - }, - { - "id1": "CH2", - "id2": "OCH3", - "k_ij": 0.021857618541656035 - }, - { - "id1": ">C<", - "id2": "OCH3", - "k_ij": 0.0 - }, - { - "id1": "CH3", - "id2": "HCOO", - "k_ij": 0.046221094393257035 - }, - { - "id1": "CH2", - "id2": "HCOO", - "k_ij": 0.07467469076976556 - }, - { - "id1": ">CH", - "id2": "COO", - "k_ij": 0.17498779403987508 - }, - { - "id1": ">C<", - "id2": "COO", - "k_ij": 0.0 - }, - { - "id1": "CH3", - "id2": "COO", - "k_ij": 0.05050525601666908 - }, - { - "id1": "CH2", - "id2": "COO", - "k_ij": 0.04126150329459275 - }, - { - "id1": "=CH2", - "id2": "C≡CH", - "k_ij": 0.28518205265981117 - }, - { - "id1": "=CH", - "id2": "C≡CH", - "k_ij": -0.19471892756822953 - }, - { - "id1": "=C<", - "id2": "C≡CH", - "k_ij": -0.37966037059629637 - }, - { - "id1": "=CH", - "id2": "C_arom", - "k_ij": -0.04794957652572591 - }, - { - "id1": "=C<", - "id2": "C_arom", - "k_ij": -0.19059760666493372 - }, - { - "id1": "=CH2", - "id2": "C_arom", - "k_ij": 0.002829235390387696 - }, - { - "id1": "=CH", - "id2": "CH_arom", - "k_ij": 0.008744506522926979 - }, - { - "id1": "=C<", - "id2": "CH_arom", - "k_ij": -0.15988275905975652 - }, - { - "id1": "=CH2", - "id2": "CH_arom", - "k_ij": 0.039714702972518216 - }, - { - "id1": "=C<", - "id2": ">C=O", - "k_ij": -0.23303936628601363 - }, - { - "id1": "=CH2", - "id2": ">C=O", - "k_ij": 0.0451103450863995 - }, - { - "id1": "=CH", - "id2": ">C=O", - "k_ij": 0.0028282796817093118 - }, - { - "id1": "=CH2", - "id2": "OCH3", - "k_ij": -0.017336555493171858 - }, - { - "id1": "=CH", - "id2": "OCH2", - "k_ij": 0.028713611730255537 - }, - { - "id1": "=C<", - "id2": "OCH2", - "k_ij": -0.040576835006969125 - }, - { - "id1": "=CH2", - "id2": "OCH2", - "k_ij": 0.02792348761278379 - }, - { - "id1": "=CH", - "id2": "OCH3", - "k_ij": 0.021854680107075346 - }, - { - "id1": "=C<", - "id2": "OCH3", - "k_ij": -0.21464227012985213 - }, - { - "id1": "=CH", - "id2": "HCOO", - "k_ij": -0.021573291908933357 - }, - { - "id1": "=C<", - "id2": "HCOO", - "k_ij": -0.021791386613505864 - }, - { - "id1": "=CH2", - "id2": "COO", - "k_ij": -0.08063693709595326 - }, - { - "id1": "=CH", - "id2": "COO", - "k_ij": -0.07829355920744586 - }, - { - "id1": "=C<", - "id2": "COO", - "k_ij": -0.19510136763283895 - }, - { - "id1": "CH_arom", - "id2": "C≡CH", - "k_ij": -0.04955767628386867 - }, - { - "id1": "C_arom", - "id2": "C≡CH", - "k_ij": -0.04953394596854589 - }, - { - "id1": "CH=O", - "id2": "C≡CH", - "k_ij": -0.33948211818518437 - }, - { - "id1": ">C=O", - "id2": "C≡CH", - "k_ij": -0.3657376137845608 - }, - { - "id1": "C≡CH", - "id2": "OCH2", - "k_ij": -0.3344648388007797 - }, - { - "id1": "C≡CH", - "id2": "OCH3", - "k_ij": -0.38290586519600983 - }, - { - "id1": "C≡CH", - "id2": "HCOO", - "k_ij": -0.24272079727170506 - }, - { - "id1": "COO", - "id2": "C≡CH", - "k_ij": -0.3654438081227738 - }, - { - "id1": "C≡CH", - "id2": "OH", - "k_ij": -0.10409652963367089 - }, - { - "id1": "CH_arom", - "id2": "C_arom", - "k_ij": -0.12728867698722554 - }, - { - "id1": "CH_arom", - "id2": "CH_arom", - "k_ij": -0.023433119170883764 - }, - { - "id1": "C_arom", - "id2": "C_arom", - "k_ij": -0.28421918877688607 - }, - { - "id1": "CH2_hex", - "id2": "CH_arom", - "k_ij": 0.001447550584366187 - }, - { - "id1": "CH_hex", - "id2": "C_arom", - "k_ij": -0.40316115168074723 - }, - { - "id1": "CH_arom", - "id2": "CH_hex", - "k_ij": -0.3576321797883022 - }, - { - "id1": "CH2_hex", - "id2": "C_arom", - "k_ij": 0.08521616156959391 - }, - { - "id1": "CH_arom", - "id2": "CH_pent", - "k_ij": -0.18714862430161244 - }, - { - "id1": "CH_pent", - "id2": "C_arom", - "k_ij": 0.03457714936255159 - }, - { - "id1": "CH2_pent", - "id2": "C_arom", - "k_ij": 0.03812116290565423 - }, - { - "id1": "CH2_pent", - "id2": "CH_arom", - "k_ij": 0.004966663517893626 - }, - { - "id1": "CH=O", - "id2": "C_arom", - "k_ij": -0.025044677100339502 - }, - { - "id1": "CH=O", - "id2": "CH_arom", - "k_ij": -0.06309730593619743 - }, - { - "id1": ">C=O", - "id2": "CH_arom", - "k_ij": -0.1106708081496441 - }, - { - "id1": ">C=O", - "id2": "C_arom", - "k_ij": -0.04717854573415193 - }, - { - "id1": "C_arom", - "id2": "OCH3", - "k_ij": -0.14006221692396298 - }, - { - "id1": "CH_arom", - "id2": "OCH2", - "k_ij": -0.11744345395130776 - }, - { - "id1": "CH_arom", - "id2": "OCH3", - "k_ij": -0.06563917699710337 - }, - { - "id1": "C_arom", - "id2": "OCH2", - "k_ij": -0.03747169315781876 - }, - { - "id1": "CH_arom", - "id2": "HCOO", - "k_ij": -0.04404325532489947 - }, - { - "id1": "C_arom", - "id2": "HCOO", - "k_ij": 0.2898776740748664 - }, - { - "id1": "CH_arom", - "id2": "COO", - "k_ij": -0.10600926342624745 - }, - { - "id1": "COO", - "id2": "C_arom", - "k_ij": -0.11054573554364296 - }, - { - "id1": "C_arom", - "id2": "OH", - "k_ij": 0.2990171120344822 - }, - { - "id1": "CH_arom", - "id2": "OH", - "k_ij": -0.039398695604311314 - }, - { - "id1": "C_arom", - "id2": "NH2", - "k_ij": 0.4535791221221567 - }, - { - "id1": "CH_arom", - "id2": "NH2", - "k_ij": -0.06290638692043257 - }, - { - "id1": "CH2_hex", - "id2": "CH=O", - "k_ij": 0.09047030071006708 - }, - { - "id1": "CH=O", - "id2": "CH_hex", - "k_ij": -0.14747598417210014 - }, - { - "id1": ">C=O", - "id2": "CH_hex", - "k_ij": 0.0676825668907787 - }, - { - "id1": ">C=O", - "id2": "CH2_hex", - "k_ij": 0.09082375748804353 - }, - { - "id1": "CH2_hex", - "id2": "OCH3", - "k_ij": 0.042823701076275526 - }, - { - "id1": "CH_hex", - "id2": "OCH2", - "k_ij": -0.0936451919984422 - }, - { - "id1": "CH_hex", - "id2": "OCH3", - "k_ij": 0.12111386208387202 - }, - { - "id1": "CH2_hex", - "id2": "OCH2", - "k_ij": 0.013698887705260425 - }, - { - "id1": "CH2_hex", - "id2": "HCOO", - "k_ij": 0.08719198819954514 - }, - { - "id1": "CH2_hex", - "id2": "COO", - "k_ij": 0.05937938878778157 - }, - { - "id1": "CH_hex", - "id2": "COO", - "k_ij": -0.10319900739370075 - }, - { - "id1": "CH2_hex", - "id2": "OH", - "k_ij": 0.06127398203560399 - }, - { - "id1": "CH_hex", - "id2": "OH", - "k_ij": 0.35825180807831797 - }, - { - "id1": "CH2_pent", - "id2": "COO", - "k_ij": 0.05124310486288829 - }, - { - "id1": "CH_pent", - "id2": "OH", - "k_ij": 0.11518421254437769 - }, - { - "id1": "CH2_pent", - "id2": "OH", - "k_ij": 0.08215868571093943 - }, - { - "id1": "CH=O", - "id2": "CH=O", - "k_ij": -0.1570556622280003 - }, - { - "id1": ">C=O", - "id2": "CH=O", - "k_ij": -0.16452206370456918 - }, - { - "id1": "CH=O", - "id2": "OCH2", - "k_ij": 0.0027095251191336708 - }, - { - "id1": "CH=O", - "id2": "HCOO", - "k_ij": -0.07673278642721204 - }, - { - "id1": "CH=O", - "id2": "COO", - "k_ij": -0.16365969940991995 - }, - { - "id1": "CH=O", - "id2": "OH", - "k_ij": -0.12245349842770242 - }, - { - "id1": ">C=O", - "id2": ">C=O", - "k_ij": -0.17931771307891634 - }, - { - "id1": ">C=O", - "id2": "OCH3", - "k_ij": -0.20038719736411056 - }, - { - "id1": ">C=O", - "id2": "OCH2", - "k_ij": 0.04468736703539099 - }, - { - "id1": ">C=O", - "id2": "HCOO", - "k_ij": -0.13541978245760022 - }, - { - "id1": ">C=O", - "id2": "COO", - "k_ij": -0.14605212162381323 - }, - { - "id1": ">C=O", - "id2": "OH", - "k_ij": -0.1392769563372809 - }, - { - "id1": ">C=O", - "id2": "NH2", - "k_ij": -0.371931948310995 - }, - { - "id1": "OCH2", - "id2": "OCH2", - "k_ij": 0.09662571077941844 - }, - { - "id1": "OCH2", - "id2": "OCH3", - "k_ij": -0.2812620283200189 - }, - { - "id1": "OCH3", - "id2": "OCH3", - "k_ij": -0.13909723652059505 - }, - { - "id1": "HCOO", - "id2": "OCH3", - "k_ij": -0.0929570619422749 - }, - { - "id1": "COO", - "id2": "OCH2", - "k_ij": -0.11408007406963222 - }, - { - "id1": "COO", - "id2": "OCH3", - "k_ij": -0.21710938244245623 - }, - { - "id1": "OCH2", - "id2": "OH", - "k_ij": -0.014272196525878467 - }, - { - "id1": "OCH3", - "id2": "OH", - "k_ij": -0.039585706351111166 - }, - { - "id1": "HCOO", - "id2": "HCOO", - "k_ij": -0.14303475853269773 - }, - { - "id1": "COO", - "id2": "HCOO", - "k_ij": -0.14056680898820434 - }, - { - "id1": "HCOO", - "id2": "OH", - "k_ij": -0.11204049889700908 - }, - { - "id1": "COO", - "id2": "COO", - "k_ij": -0.1879219131496382 - }, - { - "id1": "COO", - "id2": "OH", - "k_ij": -0.09507071103459414 - }, - { - "id1": "COO", - "id2": "NH2", - "k_ij": -0.2799573216348791 - }, - { - "id1": "NH2", - "id2": "OH", - "k_ij": -0.42107448986356144 - } -] \ No newline at end of file diff --git a/parameters/pcsaft/rehner2023_homo.json b/parameters/pcsaft/rehner2023_homo.json deleted file mode 100644 index 586b89be1..000000000 --- a/parameters/pcsaft/rehner2023_homo.json +++ /dev/null @@ -1,220 +0,0 @@ -[ - { - "identifier": "CH3", - "molarweight": 15.0345, - "m": 0.61198, - "sigma": 3.7202, - "epsilon_k": 229.9 - }, - { - "identifier": "CH2", - "molarweight": 14.02658, - "m": 0.45606, - "sigma": 3.89, - "epsilon_k": 239.01 - }, - { - "identifier": ">CH", - "molarweight": 13.01854, - "m": 0.14304, - "sigma": 4.8597, - "epsilon_k": 347.64 - }, - { - "identifier": ">C<", - "molarweight": 12.0107, - "m": -0.66997, - "sigma": -1.7878, - "epsilon_k": 107.68 - }, - { - "identifier": "=CH2", - "molarweight": 14.02658, - "m": 0.36939, - "sigma": 4.0264, - "epsilon_k": 289.49 - }, - { - "identifier": "=CH", - "molarweight": 13.01854, - "m": 0.56361, - "sigma": 3.5519, - "epsilon_k": 216.69 - }, - { - "identifier": "=C<", - "molarweight": 12.0107, - "m": 0.86367, - "sigma": 3.1815, - "epsilon_k": 156.31 - }, - { - "identifier": "C≡CH", - "molarweight": 25.02924, - "m": 1.3279, - "sigma": 2.9421, - "epsilon_k": 223.05 - }, - { - "identifier": "CH2_hex", - "molarweight": 14.02658, - "m": 0.39496, - "sigma": 3.9126, - "epsilon_k": 289.03 - }, - { - "identifier": "CH_hex", - "molarweight": 13.01854, - "m": 0.0288, - "sigma": 8.9779, - "epsilon_k": 1306.7 - }, - { - "identifier": "CH2_pent", - "molarweight": 14.02658, - "m": 0.46742, - "sigma": 3.7272, - "epsilon_k": 267.16 - }, - { - "identifier": "CH_pent", - "molarweight": 13.01854, - "m": 0.03314, - "sigma": 7.719, - "epsilon_k": 1297.7 - }, - { - "identifier": "CH_arom", - "molarweight": 13.01854, - "m": 0.42335, - "sigma": 3.727, - "epsilon_k": 274.41 - }, - { - "identifier": "C_arom", - "molarweight": 12.0107, - "m": 0.15371, - "sigma": 3.9622, - "epsilon_k": 527.2 - }, - { - "identifier": "CH=O", - "molarweight": 29.01754, - "m": 1.5774, - "sigma": 2.8035, - "epsilon_k": 242.99, - "mu": 2.4556, - "association_sites": [ - { - "nb": 1.0, - "kappa_ab": 0.006825, - "epsilon_k_ab": 2508.568605957324 - } - ] - }, - { - "identifier": ">C=O", - "molarweight": 28.0097, - "m": 1.223, - "sigma": 2.8124, - "epsilon_k": 249.04, - "mu": 3.2432, - "association_sites": [ - { - "nb": 1.0, - "kappa_ab": 0.006825, - "epsilon_k_ab": 2109.2307097378066 - } - ] - }, - { - "identifier": "OCH3", - "molarweight": 31.03322, - "m": 1.6539, - "sigma": 3.0697, - "epsilon_k": 196.05, - "mu": 1.3866, - "association_sites": [ - { - "nb": 1.0, - "kappa_ab": 0.006825, - "epsilon_k_ab": 1608.5313444575868 - } - ] - }, - { - "identifier": "OCH2", - "molarweight": 30.02538, - "m": 1.1349, - "sigma": 3.2037, - "epsilon_k": 187.13, - "mu": 2.744, - "association_sites": [ - { - "nb": 1.0, - "kappa_ab": 0.006825, - "epsilon_k_ab": 1608.5313444575868 - } - ] - }, - { - "identifier": "HCOO", - "molarweight": 45.01654, - "m": 1.7525, - "sigma": 2.9043, - "epsilon_k": 229.63, - "mu": 2.7916, - "association_sites": [ - { - "nb": 2.0, - "kappa_ab": 0.006825, - "epsilon_k_ab": 1162.0362135393 - } - ] - }, - { - "identifier": "COO", - "molarweight": 44.0087, - "m": 1.5063, - "sigma": 2.8166, - "epsilon_k": 222.52, - "mu": 3.1652, - "association_sites": [ - { - "nb": 2.0, - "kappa_ab": 0.006825, - "epsilon_k_ab": 1510.936433363258 - } - ] - }, - { - "identifier": "OH", - "molarweight": 17.00734, - "m": 0.402, - "sigma": 3.2859, - "epsilon_k": 488.66, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.006825, - "epsilon_k_ab": 2517.0 - } - ] - }, - { - "identifier": "NH2", - "molarweight": 16.02238, - "m": 0.40558, - "sigma": 3.6456, - "epsilon_k": 467.59, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.026662, - "epsilon_k_ab": 1064.6 - } - ] - } -] \ No newline at end of file diff --git a/parameters/pcsaft/rehner2023_homo_binary.json b/parameters/pcsaft/rehner2023_homo_binary.json deleted file mode 100644 index 59eb70a3e..000000000 --- a/parameters/pcsaft/rehner2023_homo_binary.json +++ /dev/null @@ -1,672 +0,0 @@ -[ - { - "id1": ">CH", - "id2": "C≡CH", - "k_ij": -0.18371738189391876 - }, - { - "id1": "CH2", - "id2": "C≡CH", - "k_ij": 0.06723310157310154 - }, - { - "id1": "CH3", - "id2": "C≡CH", - "k_ij": 0.1511413084403949 - }, - { - "id1": ">C<", - "id2": "C_arom", - "k_ij": -0.30968501322545716 - }, - { - "id1": ">C<", - "id2": "CH_arom", - "k_ij": -0.040269683728406204 - }, - { - "id1": "CH3", - "id2": "CH_arom", - "k_ij": 0.045398744853650204 - }, - { - "id1": "CH2", - "id2": "C_arom", - "k_ij": -0.06242075545369085 - }, - { - "id1": "CH3", - "id2": "C_arom", - "k_ij": 0.11447930753452223 - }, - { - "id1": ">CH", - "id2": "C_arom", - "k_ij": -0.4158624775122392 - }, - { - "id1": "CH2", - "id2": "CH_arom", - "k_ij": 0.0037160477290278044 - }, - { - "id1": ">CH", - "id2": "CH_arom", - "k_ij": -0.0367766719917285 - }, - { - "id1": "CH2", - "id2": "CH=O", - "k_ij": 0.12305359647909934 - }, - { - "id1": "CH3", - "id2": "CH=O", - "k_ij": 0.10187469034871167 - }, - { - "id1": ">C=O", - "id2": "CH2", - "k_ij": 0.046191053863637005 - }, - { - "id1": ">C<", - "id2": ">C=O", - "k_ij": 0.24968925951397747 - }, - { - "id1": ">C=O", - "id2": "CH3", - "k_ij": 0.07726883079913838 - }, - { - "id1": ">C=O", - "id2": ">CH", - "k_ij": -0.00045276712110988197 - }, - { - "id1": "CH3", - "id2": "OCH3", - "k_ij": 0.08814654061145145 - }, - { - "id1": ">C<", - "id2": "OCH2", - "k_ij": 0.21912131451666356 - }, - { - "id1": "CH2", - "id2": "OCH3", - "k_ij": 0.037965107676736554 - }, - { - "id1": "CH2", - "id2": "OCH2", - "k_ij": -0.03712493649357425 - }, - { - "id1": "CH3", - "id2": "OCH2", - "k_ij": 0.04716136386377694 - }, - { - "id1": ">CH", - "id2": "OCH3", - "k_ij": -0.03323101683228677 - }, - { - "id1": ">CH", - "id2": "OCH2", - "k_ij": -0.22046996759454948 - }, - { - "id1": ">C<", - "id2": "OCH3", - "k_ij": 0.03790972682658586 - }, - { - "id1": "CH3", - "id2": "HCOO", - "k_ij": 0.045977954235034764 - }, - { - "id1": "CH2", - "id2": "HCOO", - "k_ij": 0.11244290547170076 - }, - { - "id1": ">CH", - "id2": "COO", - "k_ij": 0.1801469645626566 - }, - { - "id1": "CH2", - "id2": "COO", - "k_ij": 0.08394999787145262 - }, - { - "id1": ">C<", - "id2": "COO", - "k_ij": 0.21416752231606875 - }, - { - "id1": "CH3", - "id2": "COO", - "k_ij": 0.04317047138905919 - }, - { - "id1": "=CH", - "id2": "C≡CH", - "k_ij": -0.0423021283854757 - }, - { - "id1": "=C<", - "id2": "C≡CH", - "k_ij": -0.3679698871258342 - }, - { - "id1": "=CH2", - "id2": "C≡CH", - "k_ij": 0.12850802400950342 - }, - { - "id1": "=CH2", - "id2": "CH_arom", - "k_ij": 0.07134226132398278 - }, - { - "id1": "=C<", - "id2": "C_arom", - "k_ij": -0.2659542702867626 - }, - { - "id1": "=C<", - "id2": "CH_arom", - "k_ij": -0.1210112284636777 - }, - { - "id1": "=CH", - "id2": "C_arom", - "k_ij": -0.06577965904642215 - }, - { - "id1": "=CH2", - "id2": "C_arom", - "k_ij": -0.08233061709834949 - }, - { - "id1": "=CH", - "id2": "CH_arom", - "k_ij": -0.02777227236233225 - }, - { - "id1": "=CH2", - "id2": ">C=O", - "k_ij": 0.01870397276432888 - }, - { - "id1": "=CH", - "id2": ">C=O", - "k_ij": -0.07924746094295501 - }, - { - "id1": "=C<", - "id2": ">C=O", - "k_ij": -0.3890984918446064 - }, - { - "id1": "=C<", - "id2": "OCH3", - "k_ij": -0.26406219612376053 - }, - { - "id1": "=CH", - "id2": "OCH3", - "k_ij": 0.08211035721381005 - }, - { - "id1": "=C<", - "id2": "OCH2", - "k_ij": -0.22103185453388233 - }, - { - "id1": "=CH2", - "id2": "OCH3", - "k_ij": -0.05488229227924732 - }, - { - "id1": "=CH", - "id2": "OCH2", - "k_ij": 0.12042046990948997 - }, - { - "id1": "=CH2", - "id2": "OCH2", - "k_ij": -0.16082219040056 - }, - { - "id1": "=CH", - "id2": "HCOO", - "k_ij": -0.04924693944343094 - }, - { - "id1": "=C<", - "id2": "HCOO", - "k_ij": -0.04924693944343094 - }, - { - "id1": "=CH", - "id2": "COO", - "k_ij": -0.07465466121913379 - }, - { - "id1": "=C<", - "id2": "COO", - "k_ij": -0.20912851003958197 - }, - { - "id1": "=CH2", - "id2": "COO", - "k_ij": -0.1873284020798118 - }, - { - "id1": "C_arom", - "id2": "C≡CH", - "k_ij": -0.06996738062245225 - }, - { - "id1": "CH_arom", - "id2": "C≡CH", - "k_ij": -0.06997816145785027 - }, - { - "id1": "CH=O", - "id2": "C≡CH", - "k_ij": -0.8036084995749746 - }, - { - "id1": ">C=O", - "id2": "C≡CH", - "k_ij": -0.7245616793983386 - }, - { - "id1": "C≡CH", - "id2": "OCH3", - "k_ij": -0.6973014503254631 - }, - { - "id1": "C≡CH", - "id2": "OCH2", - "k_ij": -0.7124635912791397 - }, - { - "id1": "C≡CH", - "id2": "HCOO", - "k_ij": -0.6491906341393756 - }, - { - "id1": "COO", - "id2": "C≡CH", - "k_ij": -0.7706507183991701 - }, - { - "id1": "C≡CH", - "id2": "OH", - "k_ij": -0.3953272203288893 - }, - { - "id1": "CH_arom", - "id2": "C_arom", - "k_ij": -0.03992936106292302 - }, - { - "id1": "C_arom", - "id2": "C_arom", - "k_ij": -0.24630026810220787 - }, - { - "id1": "CH_arom", - "id2": "CH_arom", - "k_ij": -0.0017874528445781402 - }, - { - "id1": "CH2_hex", - "id2": "CH_arom", - "k_ij": 0.016756385671790754 - }, - { - "id1": "CH_hex", - "id2": "C_arom", - "k_ij": -0.2096597639152752 - }, - { - "id1": "CH2_hex", - "id2": "C_arom", - "k_ij": 0.012541534230376803 - }, - { - "id1": "CH_arom", - "id2": "CH_hex", - "k_ij": -0.005184457928999869 - }, - { - "id1": "CH_pent", - "id2": "C_arom", - "k_ij": -0.030135433813644724 - }, - { - "id1": "CH2_pent", - "id2": "CH_arom", - "k_ij": 0.016163719207036752 - }, - { - "id1": "CH2_pent", - "id2": "C_arom", - "k_ij": -0.03015381422551497 - }, - { - "id1": "CH_arom", - "id2": "CH_pent", - "k_ij": -0.0012280619452513725 - }, - { - "id1": "CH=O", - "id2": "CH_arom", - "k_ij": -0.07298686010226767 - }, - { - "id1": "CH=O", - "id2": "C_arom", - "k_ij": -0.03477418604459808 - }, - { - "id1": ">C=O", - "id2": "CH_arom", - "k_ij": -0.17737259526633692 - }, - { - "id1": ">C=O", - "id2": "C_arom", - "k_ij": -0.20890507062777522 - }, - { - "id1": "CH_arom", - "id2": "OCH2", - "k_ij": -0.16191196233780558 - }, - { - "id1": "C_arom", - "id2": "OCH3", - "k_ij": -0.17062941897764702 - }, - { - "id1": "C_arom", - "id2": "OCH2", - "k_ij": -0.1143281639880095 - }, - { - "id1": "CH_arom", - "id2": "OCH3", - "k_ij": -0.05806913031673688 - }, - { - "id1": "C_arom", - "id2": "HCOO", - "k_ij": 0.05952617082632797 - }, - { - "id1": "CH_arom", - "id2": "HCOO", - "k_ij": -0.07251503775066634 - }, - { - "id1": "COO", - "id2": "C_arom", - "k_ij": -0.20843873998066137 - }, - { - "id1": "CH_arom", - "id2": "COO", - "k_ij": -0.1466481167221345 - }, - { - "id1": "CH_arom", - "id2": "OH", - "k_ij": -0.04264238269571497 - }, - { - "id1": "C_arom", - "id2": "OH", - "k_ij": 0.0955212536852117 - }, - { - "id1": "CH_arom", - "id2": "NH2", - "k_ij": -0.13578656303759865 - }, - { - "id1": "C_arom", - "id2": "NH2", - "k_ij": 0.3245677118846664 - }, - { - "id1": "CH=O", - "id2": "CH_hex", - "k_ij": 0.18126133081773227 - }, - { - "id1": "CH2_hex", - "id2": "CH=O", - "k_ij": 0.15242908803430827 - }, - { - "id1": ">C=O", - "id2": "CH_hex", - "k_ij": 0.20715143616696932 - }, - { - "id1": ">C=O", - "id2": "CH2_hex", - "k_ij": 0.10105082239249716 - }, - { - "id1": "CH_hex", - "id2": "OCH3", - "k_ij": 0.21758560291856807 - }, - { - "id1": "CH2_hex", - "id2": "OCH3", - "k_ij": 0.038851491234467544 - }, - { - "id1": "CH_hex", - "id2": "OCH2", - "k_ij": 0.12641108333024728 - }, - { - "id1": "CH2_hex", - "id2": "OCH2", - "k_ij": -0.029859981746856126 - }, - { - "id1": "CH2_hex", - "id2": "HCOO", - "k_ij": 0.13536601201087417 - }, - { - "id1": "CH2_hex", - "id2": "COO", - "k_ij": 0.09766270569304139 - }, - { - "id1": "CH_hex", - "id2": "COO", - "k_ij": 0.23359111174440955 - }, - { - "id1": "CH_hex", - "id2": "OH", - "k_ij": 0.3012959587428203 - }, - { - "id1": "CH2_hex", - "id2": "OH", - "k_ij": 0.06145194047695637 - }, - { - "id1": "CH2_pent", - "id2": "COO", - "k_ij": 0.0591958981494055 - }, - { - "id1": "CH_pent", - "id2": "OH", - "k_ij": 0.05049513358443987 - }, - { - "id1": "CH2_pent", - "id2": "OH", - "k_ij": 0.06365860079027498 - }, - { - "id1": "CH=O", - "id2": "CH=O", - "k_ij": -0.5266119495933976 - }, - { - "id1": ">C=O", - "id2": "CH=O", - "k_ij": -0.3487549151972326 - }, - { - "id1": "CH=O", - "id2": "OCH2", - "k_ij": -0.11976891848704076 - }, - { - "id1": "CH=O", - "id2": "HCOO", - "k_ij": -0.1498229825699716 - }, - { - "id1": "CH=O", - "id2": "COO", - "k_ij": -0.40091742710072753 - }, - { - "id1": "CH=O", - "id2": "OH", - "k_ij": -0.3422480720079449 - }, - { - "id1": ">C=O", - "id2": ">C=O", - "k_ij": -0.38212098851262305 - }, - { - "id1": ">C=O", - "id2": "OCH3", - "k_ij": -0.40877394973926423 - }, - { - "id1": ">C=O", - "id2": "OCH2", - "k_ij": -0.04638327660766271 - }, - { - "id1": ">C=O", - "id2": "HCOO", - "k_ij": -0.2798038394521561 - }, - { - "id1": ">C=O", - "id2": "COO", - "k_ij": -0.2616088977640821 - }, - { - "id1": ">C=O", - "id2": "OH", - "k_ij": -0.21837396735346676 - }, - { - "id1": ">C=O", - "id2": "NH2", - "k_ij": -0.6476561622488226 - }, - { - "id1": "OCH2", - "id2": "OCH3", - "k_ij": -0.6939950193693598 - }, - { - "id1": "OCH3", - "id2": "OCH3", - "k_ij": -0.380719319099956 - }, - { - "id1": "OCH2", - "id2": "OCH2", - "k_ij": -0.1458789755687414 - }, - { - "id1": "HCOO", - "id2": "OCH3", - "k_ij": -0.20616518678486087 - }, - { - "id1": "COO", - "id2": "OCH2", - "k_ij": -0.1629180563538049 - }, - { - "id1": "COO", - "id2": "OCH3", - "k_ij": -0.41914105984269306 - }, - { - "id1": "OCH2", - "id2": "OH", - "k_ij": 0.01827388783404827 - }, - { - "id1": "OCH3", - "id2": "OH", - "k_ij": -0.18820563057725898 - }, - { - "id1": "HCOO", - "id2": "HCOO", - "k_ij": -0.43266513835360754 - }, - { - "id1": "COO", - "id2": "HCOO", - "k_ij": -0.3051378987235245 - }, - { - "id1": "HCOO", - "id2": "OH", - "k_ij": -0.21531477125536244 - }, - { - "id1": "COO", - "id2": "COO", - "k_ij": -0.45645793824438036 - }, - { - "id1": "COO", - "id2": "OH", - "k_ij": -0.2042011918642914 - }, - { - "id1": "COO", - "id2": "NH2", - "k_ij": -0.4441846238871141 - }, - { - "id1": "NH2", - "id2": "OH", - "k_ij": -0.7754077243242464 - } -] \ No newline at end of file diff --git a/parameters/pcsaft/sauer2014_hetero.json b/parameters/pcsaft/sauer2014_hetero.json deleted file mode 100644 index fff02e023..000000000 --- a/parameters/pcsaft/sauer2014_hetero.json +++ /dev/null @@ -1,178 +0,0 @@ -[ - { - "identifier": "CH3", - "molarweight": 15.0345, - "m": 0.77247, - "sigma": 3.6937, - "epsilon_k": 181.49 - }, - { - "identifier": "CH2", - "molarweight": 14.02658, - "m": 0.7912, - "sigma": 3.0207, - "epsilon_k": 157.23 - }, - { - "identifier": ">CH", - "molarweight": 13.01854, - "m": 0.52235, - "sigma": 0.99912, - "epsilon_k": 269.84 - }, - { - "identifier": ">C<", - "molarweight": 12.0107, - "m": -0.70131, - "sigma": 0.5435, - "epsilon_k": 0.0 - }, - { - "identifier": "=CH2", - "molarweight": 14.02658, - "m": 0.70581, - "sigma": 3.163, - "epsilon_k": 171.34 - }, - { - "identifier": "=CH", - "molarweight": 13.01854, - "m": 0.90182, - "sigma": 2.8864, - "epsilon_k": 158.9 - }, - { - "identifier": "=C<", - "molarweight": 12.0107, - "m": 0.98505, - "sigma": 2.245, - "epsilon_k": 146.86 - }, - { - "identifier": "C≡CH", - "molarweight": 25.02924, - "m": 1.1615, - "sigma": 3.3187, - "epsilon_k": 255.13 - }, - { - "identifier": "CH2_hex", - "molarweight": 14.02658, - "m": 0.8793, - "sigma": 2.9995, - "epsilon_k": 157.93 - }, - { - "identifier": "CH_hex", - "molarweight": 13.01854, - "m": 0.42115, - "sigma": 1.3078, - "epsilon_k": 131.79 - }, - { - "identifier": "CH2_pent", - "molarweight": 14.02658, - "m": 0.90057, - "sigma": 3.0437, - "epsilon_k": 158.34 - }, - { - "identifier": "CH_pent", - "molarweight": 13.01854, - "m": 0.69343, - "sigma": 1.2894, - "epsilon_k": 140.69 - }, - { - "identifier": "CH_arom", - "molarweight": 13.01854, - "m": 0.88259, - "sigma": 2.9475, - "epsilon_k": 156.51 - }, - { - "identifier": "C_arom", - "molarweight": 12.0107, - "m": 0.77531, - "sigma": 1.6719, - "epsilon_k": 178.81 - }, - { - "identifier": "CH=O", - "molarweight": 29.01754, - "m": 1.1889, - "sigma": 3.2948, - "epsilon_k": 316.91, - "mu": 2.4126 - }, - { - "identifier": ">C=O", - "molarweight": 28.0097, - "m": 1.1889, - "sigma": 3.1026, - "epsilon_k": 280.43, - "mu": 3.4167 - }, - { - "identifier": "OCH3", - "molarweight": 31.03322, - "m": 1.1907, - "sigma": 2.7795, - "epsilon_k": 284.91, - "mu": 0.0 - }, - { - "identifier": "OCH2", - "molarweight": 30.02538, - "m": 1.1817, - "sigma": 3.009, - "epsilon_k": 203.11, - "mu": 2.6945 - }, - { - "identifier": "HCOO", - "molarweight": 45.01654, - "m": 1.2789, - "sigma": 3.373, - "epsilon_k": 307.44, - "mu": 2.6808 - }, - { - "identifier": "COO", - "molarweight": 44.0087, - "m": 1.2869, - "sigma": 3.0643, - "epsilon_k": 273.9, - "mu": 3.3428 - }, - { - "identifier": "OH", - "molarweight": 17.00734, - "m": 1.0231, - "sigma": 2.7702, - "epsilon_k": 334.29, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.009583, - "epsilon_k_ab": 2575.9 - } - ] - }, - { - "identifier": "NH2", - "molarweight": 16.02238, - "m": 0.82284, - "sigma": 3.1129, - "epsilon_k": 309.93, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.005769, - "epsilon_k_ab": 1471.5 - } - ] - } -] \ No newline at end of file diff --git a/parameters/pcsaft/sauer2014_homo.json b/parameters/pcsaft/sauer2014_homo.json deleted file mode 100644 index 1fdbabf1b..000000000 --- a/parameters/pcsaft/sauer2014_homo.json +++ /dev/null @@ -1,178 +0,0 @@ -[ - { - "identifier": "CH3", - "molarweight": 15.0345, - "m": 0.61198, - "sigma": 3.7202, - "epsilon_k": 229.9 - }, - { - "identifier": "CH2", - "molarweight": 14.02658, - "m": 0.45606, - "sigma": 3.89, - "epsilon_k": 239.01 - }, - { - "identifier": ">CH", - "molarweight": 13.01854, - "m": 0.14304, - "sigma": 4.8597, - "epsilon_k": 347.64 - }, - { - "identifier": ">C<", - "molarweight": 12.0107, - "m": -0.66997, - "sigma": -1.7878, - "epsilon_k": 107.68 - }, - { - "identifier": "=CH2", - "molarweight": 14.02658, - "m": 0.36939, - "sigma": 4.0264, - "epsilon_k": 289.49 - }, - { - "identifier": "=CH", - "molarweight": 13.01854, - "m": 0.56361, - "sigma": 3.5519, - "epsilon_k": 216.69 - }, - { - "identifier": "=C<", - "molarweight": 12.0107, - "m": 0.86367, - "sigma": 3.1815, - "epsilon_k": 156.31 - }, - { - "identifier": "C≡CH", - "molarweight": 25.02924, - "m": 1.3279, - "sigma": 2.9421, - "epsilon_k": 223.05 - }, - { - "identifier": "CH2_hex", - "molarweight": 14.02658, - "m": 0.39496, - "sigma": 3.9126, - "epsilon_k": 289.03 - }, - { - "identifier": "CH_hex", - "molarweight": 13.01854, - "m": 0.0288, - "sigma": 8.9779, - "epsilon_k": 1306.7 - }, - { - "identifier": "CH2_pent", - "molarweight": 14.02658, - "m": 0.46742, - "sigma": 3.7272, - "epsilon_k": 267.16 - }, - { - "identifier": "CH_pent", - "molarweight": 13.01854, - "m": 0.03314, - "sigma": 7.719, - "epsilon_k": 1297.7 - }, - { - "identifier": "CH_arom", - "molarweight": 13.01854, - "m": 0.42335, - "sigma": 3.727, - "epsilon_k": 274.41 - }, - { - "identifier": "C_arom", - "molarweight": 12.0107, - "m": 0.15371, - "sigma": 3.9622, - "epsilon_k": 527.2 - }, - { - "identifier": "CH=O", - "molarweight": 29.01754, - "m": 1.5774, - "sigma": 2.8035, - "epsilon_k": 242.99, - "mu": 2.4556 - }, - { - "identifier": ">C=O", - "molarweight": 28.0097, - "m": 1.223, - "sigma": 2.8124, - "epsilon_k": 249.04, - "mu": 3.2432 - }, - { - "identifier": "OCH3", - "molarweight": 31.03322, - "m": 1.6539, - "sigma": 3.0697, - "epsilon_k": 196.05, - "mu": 1.3866 - }, - { - "identifier": "OCH2", - "molarweight": 30.02538, - "m": 1.1349, - "sigma": 3.2037, - "epsilon_k": 187.13, - "mu": 2.744 - }, - { - "identifier": "HCOO", - "molarweight": 45.01654, - "m": 1.7525, - "sigma": 2.9043, - "epsilon_k": 229.63, - "mu": 2.7916 - }, - { - "identifier": "COO", - "molarweight": 44.0087, - "m": 1.5063, - "sigma": 2.8166, - "epsilon_k": 222.52, - "mu": 3.1652 - }, - { - "identifier": "OH", - "molarweight": 17.00734, - "m": 0.402, - "sigma": 3.2859, - "epsilon_k": 488.66, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.006825, - "epsilon_k_ab": 2517.0 - } - ] - }, - { - "identifier": "NH2", - "molarweight": 16.02238, - "m": 0.40558, - "sigma": 3.6456, - "epsilon_k": 467.59, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "kappa_ab": 0.026662, - "epsilon_k_ab": 1064.6 - } - ] - } -] \ No newline at end of file diff --git a/parameters/pcsaft/sauer2014_smarts.json b/parameters/pcsaft/sauer2014_smarts.json deleted file mode 100644 index 3c5c901fd..000000000 --- a/parameters/pcsaft/sauer2014_smarts.json +++ /dev/null @@ -1,103 +0,0 @@ -[ - { - "group": "CH3", - "smarts": "[CH3;!$([CH3][CH3]);!$([CH3][OH]);!$([CH3][NH2])]" - }, - { - "group": "CH2", - "smarts": "[CX4H2;!R]" - }, - { - "group": ">CH", - "smarts": "[CX4H1;!R]" - }, - { - "group": ">C<", - "smarts": "[CX4H0;!R]" - }, - { - "group": "=CH2", - "smarts": "[CX3H2;!R;!$([CH2]=[CH2]);!$([CH2]=O)]" - }, - { - "group": "=CH", - "smarts": "[CX3H1;!R;!$([CX3H1]=O)]" - }, - { - "group": "=C<", - "smarts": "[CX3H0;!R;!$([CX3H0]=O)]" - }, - { - "group": "C≡CH", - "smarts": "[CH0]#[CH1]", - "max": 1 - }, - { - "group": "CH_arom", - "smarts": "[cH1;R]", - "max": 6 - }, - { - "group": "C_arom", - "smarts": "[cH0;R]", - "max": 6 - }, - { - "group": "CH2_pent", - "smarts": "[CX4H2;r5]", - "max": 5 - }, - { - "group": "CH_pent", - "smarts": "[CX4H1;r5]", - "max": 5 - }, - { - "group": "CH2_hex", - "smarts": "[CX4H2;r6]", - "max": 6 - }, - { - "group": "CH_hex", - "smarts": "[CX4H1;r6]", - "max": 6 - }, - { - "group": "CH=O", - "smarts": "[$([CH1][C,c])]=O", - "max": 1 - }, - { - "group": ">C=O", - "smarts": "[$([C]([C,c])([C,c]));!R]=O", - "max": 1 - }, - { - "group": "OCH3", - "smarts": "[$([O][C]);!$([O][C]=O)][CH3]", - "max": 1 - }, - { - "group": "OCH2", - "smarts": "[$([O]([CX4H0,CX4H1,CX4H2])[CX4H2]);!$([O][C]=O);!R][CX4H2]", - "max": 1 - }, - { - "group": "HCOO", - "smarts": "[CH1](=O)[$([OH0][C,c])]", - "max": 1 - }, - { - "group": "COO", - "smarts": "[$([CH0][C,c]);!R](=O)[$([OH0]([C,c])[C,c])]", - "max": 1 - }, - { - "group": "OH", - "smarts": "[$([OH][CX4H2])]" - }, - { - "group": "NH2", - "smarts": "[$([NH2][C,c]);!$([NH2][CH3])]" - } -] \ No newline at end of file diff --git a/parameters/saftvrmie/README.md b/parameters/saftvrmie/README.md deleted file mode 100644 index 59c6b3b95..000000000 --- a/parameters/saftvrmie/README.md +++ /dev/null @@ -1,10 +0,0 @@ -# SAFT-VR Mie Parameters - -This directory contains files with parameters for the SAFT-VR Mie equation of state. -The files named according to the pattern `NameYear.json` correspond to published parameters. The corresponding publication is provided in the [`literature.bib`](literature.bib) file. - -## Pure Substance Parameters - -| file | model | publication | -| -------------------------------------- | ----------------------------------------------------------------- | :--------------------------------------------: | -| [`lafitte2013.json`](lafitte2013.json) | Parameters reported in the original publication of Lafitte et al. | [🔗](https://doi.org/10.1063/1.4819786) | diff --git a/parameters/saftvrmie/lafitte2013.json b/parameters/saftvrmie/lafitte2013.json deleted file mode 100644 index 9fd3f5d69..000000000 --- a/parameters/saftvrmie/lafitte2013.json +++ /dev/null @@ -1,439 +0,0 @@ -[ - { - "identifier": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "molarweight": 16.031, - "m": 1.0, - "sigma": 3.7412, - "epsilon_k": 153.36, - "lr": 12.65, - "la": 6.0 - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "molarweight": 30.047, - "m": 1.4373, - "sigma": 3.7257, - "epsilon_k": 206.12, - "lr": 12.4, - "la": 6.0 - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "molarweight": 44.063, - "m": 1.6845, - "sigma": 3.9056, - "epsilon_k": 239.89, - "lr": 13.006, - "la": 6.0 - }, - { - "identifier": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "molarweight": 58.078, - "m": 1.8514, - "sigma": 4.0887, - "epsilon_k": 273.64, - "lr": 13.65, - "la": 6.0 - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "molarweight": 72.094, - "m": 1.9606, - "sigma": 4.2928, - "epsilon_k": 321.94, - "lr": 15.847, - "la": 6.0 - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 86.11, - "m": 2.1097, - "sigma": 4.423, - "epsilon_k": 354.38, - "lr": 17.203, - "la": 6.0 - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "molarweight": 100.125, - "m": 2.3949, - "sigma": 4.4282, - "epsilon_k": 358.51, - "lr": 17.092, - "la": 6.0 - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 114.141, - "m": 2.6253, - "sigma": 4.4696, - "epsilon_k": 369.18, - "lr": 17.378, - "la": 6.0 - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "molarweight": 128.157, - "m": 2.8099, - "sigma": 4.5334, - "epsilon_k": 387.55, - "lr": 18.324, - "la": 6.0 - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 142.172, - "m": 2.9976, - "sigma": 4.589, - "epsilon_k": 400.79, - "lr": 18.885, - "la": 6.0 - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 170.203, - "m": 3.2519, - "sigma": 4.7484, - "epsilon_k": 437.72, - "lr": 20.862, - "la": 6.0 - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "molarweight": 212.25, - "m": 3.9325, - "sigma": 4.7738, - "epsilon_k": 444.51, - "lr": 20.822, - "la": 6.0 - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "molarweight": 282.329, - "m": 4.8794, - "sigma": 4.8788, - "epsilon_k": 475.76, - "lr": 22.926, - "la": 6.0 - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "molarweight": 32.026, - "m": 1.5283, - "sigma": 3.3063, - "epsilon_k": 167.72, - "lr": 8.6556, - "la": 6.0, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "rc_ab": 0.41314, - "epsilon_k_ab": 2904.7 - } - ] - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "molarweight": 46.042, - "m": 1.96, - "sigma": 3.4914, - "epsilon_k": 168.15, - "lr": 7.6134, - "la": 6.0, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "rc_ab": 0.34558, - "epsilon_k_ab": 2833.7 - } - ] - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "molarweight": 60.058, - "m": 2.3356, - "sigma": 3.5612, - "epsilon_k": 227.66, - "lr": 10.179, - "la": 6.0, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "rc_ab": 0.35377, - "epsilon_k_ab": 2746.2 - } - ] - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "molarweight": 74.073, - "m": 2.4377, - "sigma": 3.7856, - "epsilon_k": 278.92, - "lr": 11.66, - "la": 6.0, - "association_sites": [ - { - "na": 1.0, - "nb": 1.0, - "rc_ab": 0.32449, - "epsilon_k_ab": 2728.1 - } - ] - }, - { - "identifier": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "molarweight": 87.994, - "m": 1.0, - "sigma": 4.3372, - "epsilon_k": 232.62, - "lr": 42.553, - "la": 5.1906 - }, - { - "identifier": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "molarweight": 137.99, - "m": 1.8529, - "sigma": 3.9336, - "epsilon_k": 211.46, - "lr": 19.192, - "la": 5.7506 - }, - { - "identifier": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "molarweight": 187.987, - "m": 1.9401, - "sigma": 4.2983, - "epsilon_k": 263.26, - "lr": 22.627, - "la": 5.7506 - }, - { - "identifier": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "molarweight": 237.984, - "m": 2.1983, - "sigma": 4.4495, - "epsilon_k": 290.49, - "lr": 24.761, - "la": 5.7506 - }, - { - "identifier": { - "cas": "678-26-2", - "name": "perfluoropentane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17" - }, - "molarweight": 287.981, - "m": 2.3783, - "sigma": 4.6132, - "epsilon_k": 328.56, - "lr": 29.75, - "la": 5.7506 - }, - { - "identifier": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "molarweight": 337.978, - "m": 2.5202, - "sigma": 4.7885, - "epsilon_k": 349.3, - "lr": 30.741, - "la": 5.7506 - }, - { - "identifier": { - "cas": "7782-41-4", - "name": "fluorine", - "iupac_name": "molecular fluorine", - "smiles": "FF", - "inchi": "InChI=1S/F2/c1-2" - }, - "molarweight": 37.997, - "m": 1.3211, - "sigma": 2.9554, - "epsilon_k": 96.268, - "lr": 11.606, - "la": 6.0 - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "molarweight": 43.99, - "m": 1.5, - "sigma": 3.1916, - "epsilon_k": 231.88, - "lr": 27.557, - "la": 5.1646 - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "molarweight": 78.047, - "m": 1.9163, - "sigma": 4.0549, - "epsilon_k": 372.59, - "lr": 14.798, - "la": 6.0 - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 92.063, - "m": 1.9977, - "sigma": 4.2777, - "epsilon_k": 409.73, - "lr": 16.334, - "la": 6.0 - } -] \ No newline at end of file diff --git a/parameters/saftvrmie/literature.bib b/parameters/saftvrmie/literature.bib deleted file mode 100644 index 5022e5e17..000000000 --- a/parameters/saftvrmie/literature.bib +++ /dev/null @@ -1,13 +0,0 @@ -@article{lafitte2013, - author = {Lafitte, Thomas and Apostolakou, Anastasia and Avendaño, Carlos and Galindo, Amparo and Adjiman, Claire S. and Müller, Erich A. and Jackson, George}, - title = "{Accurate statistical associating fluid theory for chain molecules formed from Mie segments}", - journal = {The Journal of Chemical Physics}, - volume = {139}, - number = {15}, - pages = {154504}, - year = {2013}, - month = {10}, - issn = {0021-9606}, - doi = {10.1063/1.4819786}, - url = {https://doi.org/10.1063/1.4819786} -} diff --git a/parameters/saftvrqmie/README.md b/parameters/saftvrqmie/README.md deleted file mode 100644 index d7c3f48f9..000000000 --- a/parameters/saftvrqmie/README.md +++ /dev/null @@ -1,22 +0,0 @@ -# SAFT-VRQ Mie Parameters - -This directory contains files with parameters for SAFT-VRQ Mie equation of state. -The files named according to the pattern `NameYear.json` correspond to published parameters. The corresponding publication is provided in the [`literature.bib`](literature.bib) file. - -## Notes - -- Para-hydrogen, ortho-hydrogen, and normal hydrogen (3:1 mixture of ortho- and para-hydrogen) have different parameters. **Use the `name` field of the identifier to distinguish between the different versions**. Using other identifier fields (e.g. `formula` or `smiles`) may lead to the wrong set of parameters being used. -- Following [Aasen et al. (2019)](https://aip.scitation.org/doi/full/10.1063/1.5111364) we provide separate parameters for the **specific orders** of the Feynman-Hibbs correction. The compatible order is denoted in the "model" column. - - -## Pure Substance Parameters -|file|model|publication| -|-|-|:-:| -[`aasen2019.json`](aasen2019.json) | first-order Feynman-Hibbs correction parameters. | [🔗](https://doi.org/10.1063/1.5111364) -[`hammer2023.json`](hammer2023.json) | first-order Feynman-Hibbs correction parameters used for (but not adjusted to) surface tensions. | [🔗](https://doi.org/10.1063/5.0137226) - -## Binary Parameters - -|file|model|publication| -|-|-|:-:| -[`aasen2020_binary.json`](aasen2020_binary.json) | first-order Feynman-Hibbs correction binary interaction parameters. Compatible with [`aasen2019.json`](aasen2019.json) and [`hammer2023.json`](hammer2023.json) | [🔗](https://doi.org/10.1063/1.5136079) diff --git a/parameters/saftvrqmie/aasen2019.json b/parameters/saftvrqmie/aasen2019.json deleted file mode 100644 index f5f55e84e..000000000 --- a/parameters/saftvrqmie/aasen2019.json +++ /dev/null @@ -1,104 +0,0 @@ -[ - { - "identifier": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "molarweight": 2.0157309551872, - "m": 1.0, - "sigma": 3.0243, - "epsilon_k": 26.706, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "molarweight": 2.0157309551872, - "m": 1.0, - "sigma": 3.0235, - "epsilon_k": 26.586, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "molarweight": 2.0157309551872, - "m": 1.0, - "sigma": 3.0239, - "epsilon_k": 26.716, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - { - "identifier": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "molarweight": 20.17969806457545, - "m": 1.0, - "sigma": 2.7778, - "epsilon_k": 37.501, - "lr": 13.0, - "la": 6.0, - "fh": 1 - }, - { - "identifier": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "molarweight": 4.002601643881807, - "m": 1.0, - "sigma": 2.7443, - "epsilon_k": 5.4195, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - { - "identifier": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "molarweight": 4.028209954364, - "m": 1.0, - "sigma": 3.0203, - "epsilon_k": 30.273, - "lr": 10.0, - "la": 6.0, - "fh": 1 - } -] \ No newline at end of file diff --git a/parameters/saftvrqmie/aasen2019_fh2.json b/parameters/saftvrqmie/aasen2019_fh2.json deleted file mode 100644 index 617dfb428..000000000 --- a/parameters/saftvrqmie/aasen2019_fh2.json +++ /dev/null @@ -1,104 +0,0 @@ -[ - { - "identifier": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "molarweight": 2.0157309551872, - "m": 1.0, - "sigma": 2.9195, - "epsilon_k": 55.729, - "lr": 20.0, - "la": 6.0, - "fh": 2 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "molarweight": 2.0157309551872, - "m": 1.0, - "sigma": 2.9185, - "epsilon_k": 55.519, - "lr": 20.0, - "la": 6.0, - "fh": 2 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "molarweight": 2.0157309551872, - "m": 1.0, - "sigma": 2.9191, - "epsilon_k": 55.749, - "lr": 20.0, - "la": 6.0, - "fh": 2 - }, - { - "identifier": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "molarweight": 20.17969806457545, - "m": 1.0, - "sigma": 2.776, - "epsilon_k": 37.716, - "lr": 13.0, - "la": 6.0, - "fh": 2 - }, - { - "identifier": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "molarweight": 4.002601643881807, - "m": 1.0, - "sigma": 2.549, - "epsilon_k": 10.952, - "lr": 13.0, - "la": 6.0, - "fh": 2 - }, - { - "identifier": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "molarweight": 4.028209954364, - "m": 1.0, - "sigma": 2.9897, - "epsilon_k": 36.913, - "lr": 12.0, - "la": 6.0, - "fh": 2 - } -] \ No newline at end of file diff --git a/parameters/saftvrqmie/aasen2020_binary.json b/parameters/saftvrqmie/aasen2020_binary.json deleted file mode 100644 index 34f0fe86b..000000000 --- a/parameters/saftvrqmie/aasen2020_binary.json +++ /dev/null @@ -1,262 +0,0 @@ -[ - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "k_ij": 0.105, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "k_ij": 0.08, - "l_ij": -0.05 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "k_ij": 0.0, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "k_ij": 0.105, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "k_ij": 0.08, - "l_ij": -0.05 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "k_ij": 0.0, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "k_ij": 0.105, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "k_ij": 0.08, - "l_ij": -0.05 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "k_ij": 0.0, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "k_ij": 0.0, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "k_ij": 0.0, - "l_ij": -0.05 - }, - { - "id1": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "k_ij": -0.22, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "k_ij": 0.13, - "l_ij": 0.0 - } -] \ No newline at end of file diff --git a/parameters/saftvrqmie/aasen2020_binary_fh2.json b/parameters/saftvrqmie/aasen2020_binary_fh2.json deleted file mode 100644 index 15550287a..000000000 --- a/parameters/saftvrqmie/aasen2020_binary_fh2.json +++ /dev/null @@ -1,122 +0,0 @@ -[ - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "k_ij": 0.105, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "k_ij": 0.15, - "l_ij": -0.025 - }, - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "k_ij": -0.04, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "k_ij": 0.12, - "l_ij": -0.05 - }, - { - "id1": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "k_ij": -0.06, - "l_ij": 0.0 - }, - { - "id1": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "k_ij": 0.14, - "l_ij": 0.0 - } -] \ No newline at end of file diff --git a/parameters/saftvrqmie/hammer2023.json b/parameters/saftvrqmie/hammer2023.json deleted file mode 100644 index 11de625f2..000000000 --- a/parameters/saftvrqmie/hammer2023.json +++ /dev/null @@ -1,104 +0,0 @@ -[ - { - "identifier": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "molarweight": 2.0157309551872, - "m": 1.0, - "sigma": 3.0243, - "epsilon_k": 26.706, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "molarweight": 2.0157309551872, - "m": 1.0, - "sigma": 3.0235, - "epsilon_k": 26.586, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "molarweight": 2.0157309551872, - "m": 1.0, - "sigma": 3.0239, - "epsilon_k": 26.716, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - { - "identifier": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "molarweight": 20.17969806457545, - "m": 1.0, - "sigma": 2.7778, - "epsilon_k": 37.501, - "lr": 13.0, - "la": 6.0, - "fh": 1 - }, - { - "identifier": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "molarweight": 4.002601643881807, - "m": 1.0, - "sigma": 2.7443, - "epsilon_k": 5.4195, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - { - "identifier": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "molarweight": 4.028209954364, - "m": 1.0, - "sigma": 3.0087, - "epsilon_k": 39.2388, - "lr": 11.0, - "la": 7.0, - "fh": 1 - } -] \ No newline at end of file diff --git a/parameters/saftvrqmie/literature.bib b/parameters/saftvrqmie/literature.bib deleted file mode 100644 index 1cd9f5ea2..000000000 --- a/parameters/saftvrqmie/literature.bib +++ /dev/null @@ -1,48 +0,0 @@ -@article{aasen2019, - author = {Aasen, Ailo and Hammer, Morten and Ervik, {\AA}smund - and M{\"u}ller, Erich A. and Wilhelmsen, {\O}ivind}, - title = {Equation of State and Force Fields for - {{Feynman}}\textendash{{Hibbs-corrected Mie}} - Fluids. {{I}}. {{Application}} to Pure Helium, Neon, - Hydrogen, and Deuterium}, - journal = {Journal of Chemical Physics}, - month = aug, - number = {6}, - pages = {064508}, - volume = {151}, - year = {2019}, - doi = {10.1063/1.5111364}, - url = {https://doi.org/10.1063/1.5111364} -} - -@article{aasen2020, - author = {Aasen, Ailo and Hammer, Morten and M{\"u}ller, Erich - A. and Wilhelmsen, {\O}ivind}, - title = {Equation of State and Force Fields for - {{Feynman}}\textendash{{Hibbs-corrected Mie}} - Fluids. {{II}}. {{Application}} to Mixtures of - Helium, Neon, Hydrogen, and Deuterium}, - journal = {Journal of Chemical Physics}, - month = feb, - number = {7}, - pages = {074507}, - volume = {152}, - year = {2020}, - doi = {10.1063/1.5136079}, - url = {https://doi.org/10.1063/1.5136079} -} - -@article{hammer2023, - author = {Hammer, Morten and Bauer, Gernot and Stierle, Rolf and Gross, Joachim and Wilhelmsen, Øivind}, - title = "{Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon, and their mixtures}", - journal = {The Journal of Chemical Physics}, - volume = {158}, - number = {10}, - year = {2023}, - month = {03}, - issn = {0021-9606}, - doi = {10.1063/5.0137226}, - url = {https://doi.org/10.1063/5.0137226}, - note = {104107}, - eprint = {https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0137226/16790502/104107\_1\_online.pdf}, -} diff --git a/parameters_old/README.md b/parameters_old/README.md deleted file mode 100644 index 39ef69ad3..000000000 --- a/parameters_old/README.md +++ /dev/null @@ -1,2 +0,0 @@ -# Parameters for legacy versions of FeOs -The structure of input parameter files changed from feos 0.8.0 to 0.9.0. Use the files in this directory, if you are restricted to an older version of FeOs. \ No newline at end of file diff --git a/parameters_old/epcsaft/README.md b/parameters_old/epcsaft/README.md deleted file mode 100644 index 7f9542e0c..000000000 --- a/parameters_old/epcsaft/README.md +++ /dev/null @@ -1,22 +0,0 @@ -# ePC-SAFT Parameters - -This directory contains files with parameters for ePC-SAFT equation of state. -The files named according to the pattern `NameYear.json` correspond to published parameters. The corresponding publication is provided in the [`literature.bib`](literature.bib) file. - -## Notes - -- Experimental data for the permittivity has not been part of the original publication and has been added. -- Ion permittivity has been set to 8.0 as in [Bülow et al. (2021)](https://www.sciencedirect.com/science/article/pii/S0378381221000297). -- Contains only univalent cations and anions from [Held et al. (2014)](https://www.sciencedirect.com/science/article/pii/S0263876214002469) and carbonate. Multivalent ions need to be added. -- Correlation for `k_ij` of water/Na+ and water/K+ has not been adapted from [Held et al. (2014)](https://www.sciencedirect.com/science/article/pii/S0263876214002469). Instead, a constant value at 298.15 K is assumed. - -## Pure Substance Parameters -| file | model | publication | -| -------------------------------------------------------------------------- | ---------------------------------------- | :------------------------------------------------------: | -| [`held2014_w_permittivity_added.json`](held2014_w_permittivity_added.json) | parameters for univalent ions and water. | [🔗](https://doi.org/10.1016/j.cherd.2014.05.017) | - -## Binary Parameters - -| file | model | publication | -| ---------------------------------------------- | ----------------------------------------------- | :------------------------------------------------------: | -| [`held2014_binary.json`](held2014_binary.json) | binary parameters for univalent ions and water. | [🔗](https://doi.org/10.1016/j.cherd.2014.05.017) | diff --git a/parameters_old/epcsaft/held2014_binary.json b/parameters_old/epcsaft/held2014_binary.json deleted file mode 100644 index 796b4e152..000000000 --- a/parameters_old/epcsaft/held2014_binary.json +++ /dev/null @@ -1,1264 +0,0 @@ -[ - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "model_record": { - "k_ij": [ - 0.0045, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "model_record": { - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "3812-32-6", - "name": "carbonate", - "formula": "CO3", - "smiles": "O=C([O-])[O-]" - }, - "model_record": { - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "model_record": { - "k_ij": [ - 0.25, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "model_record": { - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "model_record": { - "k_ij": [ - 0.1997, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "model_record": { - "k_ij": [ - 0.081, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "model_record": { - "k_ij": [ - 0.064, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "model_record": { - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "model_record": { - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "model_record": { - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "model_record": { - "k_ij": [ - 0.098, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "model_record": { - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "model_record": { - "k_ij": [ - -0.25, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "14066-20-7", - "name": "dihydrogenphosphate ion", - "formula": "H2PO4", - "smiles": "OP(=O)(O)[O-]" - }, - "model_record": { - "k_ij": [ - 0.25, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "model_record": { - "k_ij": [ - 0.654, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "model_record": { - "k_ij": [ - 0.645, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "model_record": { - "k_ij": [ - 0.497, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "id2": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "model_record": { - "k_ij": [ - 0.861, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "model_record": { - "k_ij": [ - 0.669, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "model_record": { - "k_ij": [ - 0.591, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "model_record": { - "k_ij": [ - 0.002, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "model_record": { - "k_ij": [ - 0.406, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "model_record": { - "k_ij": [ - 0.364, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "id2": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "model_record": { - "k_ij": [ - -0.566, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "16984-48-8", - "name": "fluoride ion", - "formula": "F", - "smiles": "[F-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "model_record": { - "k_ij": [ - 0.665, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "model_record": { - "k_ij": [ - 0.317, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "model_record": { - "k_ij": [ - 0.290, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "model_record": { - "k_ij": [ - 0.018, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "model_record": { - "k_ij": [ - -0.118, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "model_record": { - "k_ij": [ - -0.300, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "id2": { - "cas": "14066-20-7", - "name": "dihydrogenphosphate ion", - "formula": "H2PO4", - "smiles": "OP(=O)(O)[O-]" - }, - "model_record": { - "k_ij": [ - -0.071, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "id2": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "model_record": { - "k_ij": [ - 0.649, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "id2": { - "cas": "3812-32-6", - "name": "carbonate", - "formula": "CO3", - "smiles": "O=C([O-])[O-]" - }, - "model_record": { - "k_ij": [ - -1.0, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "id2": { - "cas": "72-52-3", - "name": "hydrogen-carbonate", - "formula": "HCO3", - "smiles": "C(=O)(O)[O-]" - }, - "model_record": { - "k_ij": [ - -0.514, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "16984-48-8", - "name": "fluoride ion", - "formula": "F", - "smiles": "[F-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "model_record": { - "k_ij": [ - 1.0, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "model_record": { - "k_ij": [ - 0.064, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "model_record": { - "k_ij": [ - -0.102, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "model_record": { - "k_ij": [ - -0.312, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "model_record": { - "k_ij": [ - -0.585, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "id2": { - "cas": "14066-20-7", - "name": "dihydrogenphosphate ion", - "formula": "H2PO4", - "smiles": "OP(=O)(O)[O-]" - }, - "model_record": { - "k_ij": [ - -0.018, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "id2": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "model_record": { - "k_ij": [ - 1.0, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "id2": { - "cas": "3812-32-6", - "name": "carbonate", - "formula": "CO3", - "smiles": "O=C([O-])[O-]" - }, - "model_record": { - "k_ij": [ - 1.0, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "id2": { - "cas": "72-52-3", - "name": "hydrogen-carbonate", - "formula": "HCO3", - "smiles": "C(=O)(O)[O-]" - }, - "model_record": { - "k_ij": [ - -0.476, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "16984-48-8", - "name": "fluoride ion", - "formula": "F", - "smiles": "[F-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "model_record": { - "k_ij": [ - 1.0, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "model_record": { - "k_ij": [ - -0.417, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "model_record": { - "k_ij": [ - -0.67, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "model_record": { - "k_ij": [ - -1.0, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "model_record": { - "k_ij": [ - -0.855, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "id2": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "model_record": { - "k_ij": [ - 0.564, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "model_record": { - "k_ij": [ - -0.566, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "model_record": { - "k_ij": [ - -0.639, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "model_record": { - "k_ij": [ - -0.787, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "model_record": { - "k_ij": [ - -1.0, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "id2": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "model_record": { - "k_ij": [ - -0.419, - 0.0, - 0.0, - 0.0 - ] - } - }, - { - "id1": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "id2": { - "cas": "14066-20-7", - "name": "dihydrogenphosphate ion", - "formula": "H2PO4", - "smiles": "OP(=O)(O)[O-]" - }, - "model_record": { - "k_ij": [ - -1.0, - 0.0, - 0.0, - 0.0 - ] - } - } -] \ No newline at end of file diff --git a/parameters_old/epcsaft/held2014_w_permittivity_added.json b/parameters_old/epcsaft/held2014_w_permittivity_added.json deleted file mode 100644 index 6c8ae355b..000000000 --- a/parameters_old/epcsaft/held2014_w_permittivity_added.json +++ /dev/null @@ -1,440 +0,0 @@ -[ - { - "identifier": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "model_record": { - "m": 1.2047, - "sigma": 2.7927, - "epsilon_k": 353.95, - "kappa_ab": 0.04509, - "epsilon_k_ab": 2425.7, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 280.15, - 84.89 - ], - [ - 298.15, - 78.39 - ], - [ - 360.15, - 58.73 - ] - ] - } - }, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 18.0152 - }, - { - "identifier": { - "cas": "24959-67-9", - "name": "bromide ion", - "formula": "Br", - "smiles": "[Br-]" - }, - "molarweight": 79.9, - "model_record": { - "m": 1, - "sigma": 3.0707, - "epsilon_k": 190, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "3812-32-6", - "name": "carbonate", - "formula": "CO3", - "smiles": "O=C([O-])[O-]" - }, - "molarweight": 60.009, - "model_record": { - "m": 1, - "sigma": 2.4422, - "epsilon_k": 249.26, - "z": -2, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "16887-00-6", - "name": "chloride ion", - "formula": "Cl", - "smiles": "[Cl-]" - }, - "molarweight": 35.45, - "model_record": { - "m": 1, - "sigma": 2.756, - "epsilon_k": 170, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "16984-48-8", - "name": "fluoride ion", - "formula": "F", - "smiles": "[F-]" - }, - "molarweight": 18.9984, - "model_record": { - "m": 1, - "sigma": 1.7712, - "epsilon_k": 275, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "72-52-3", - "name": "hydrogen-carbonate", - "formula": "HCO3", - "smiles": "C(=O)(O)[O-]" - }, - "molarweight": 61.0168, - "model_record": { - "m": 1, - "sigma": 2.9296, - "epsilon_k": 70, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "13968-08-6", - "name": "hydronium", - "formula": "H", - "smiles": "[H+]" - }, - "molarweight": 1.0074, - "model_record": { - "m": 1, - "sigma": 3.4654, - "epsilon_k": 500, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "14280-30-9", - "name": "hydroxide", - "formula": "OH", - "smiles": "[OH-]" - }, - "molarweight": 17.0073, - "model_record": { - "m": 1, - "sigma": 2.0177, - "epsilon_k": 650, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "20461-54-5", - "name": "iodide ion", - "formula": "I", - "smiles": "[I-]" - }, - "molarweight": 126.9045, - "model_record": { - "m": 1, - "sigma": 3.6672, - "epsilon_k": 200, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "17341-24-1", - "name": "lithium ion", - "formula": "Li", - "smiles": "[Li+]" - }, - "molarweight": 7, - "model_record": { - "m": 1, - "sigma": 2.8449, - "epsilon_k": 360, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "24203-36-9", - "name": "potassium ion", - "formula": "K", - "smiles": "[K+]" - }, - "molarweight": 39.098, - "model_record": { - "m": 1, - "sigma": 3.3417, - "epsilon_k": 200, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "7440-23-5", - "name": "sodium ion", - "formula": "Na", - "smiles": "[Na+]" - }, - "molarweight": 22.98977, - "model_record": { - "m": 1, - "sigma": 2.8232, - "epsilon_k": 230, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "18459-37-5", - "name": "cesium ion", - "formula": "Cs", - "smiles": "[Cs+]" - }, - "molarweight": 132.905, - "model_record": { - "m": 1, - "sigma": 3.9246, - "epsilon_k": 180, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "14798-03-9", - "name": "ammonium ion", - "formula": "NH4", - "smiles": "[NH4+]" - }, - "molarweight": 18.04, - "model_record": { - "m": 1, - "sigma": 3.5740, - "epsilon_k": 230, - "z": 1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "14797-55-8", - "name": "nitrate ion", - "formula": "NO3", - "smiles": "[N+](=O)([O-])[O-]" - }, - "molarweight": 62.0049, - "model_record": { - "m": 1, - "sigma": 3.2988, - "epsilon_k": 130, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "14797-73-0", - "name": "perchlorate ion", - "formula": "ClO4", - "smiles": "[O-]Cl(=O)(=O)=O" - }, - "molarweight": 99.45, - "model_record": { - "m": 1, - "sigma": 4.0186, - "epsilon_k": 104.16, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - }, - { - "identifier": { - "cas": "14066-20-7", - "name": "dihydrogenphosphate ion", - "formula": "H2PO4", - "smiles": "OP(=O)(O)[O-]" - }, - "molarweight": 96.986, - "model_record": { - "m": 1, - "sigma": 3.6505, - "epsilon_k": 95.0, - "z": -1, - "permittivity_record": { - "ExperimentalData": { - "data": [ - [ - 298.15, - 8.0 - ] - ] - } - } - } - } -] \ No newline at end of file diff --git a/parameters_old/epcsaft/literature.bib b/parameters_old/epcsaft/literature.bib deleted file mode 100644 index b0aafff0c..000000000 --- a/parameters_old/epcsaft/literature.bib +++ /dev/null @@ -1,15 +0,0 @@ -@article{Held.2014, - author = {Held, Christoph and Reschke, Thomas and Mohammad, Sultan and Luza, Armando and Sadowski, Gabriele}, - journal = {{Chemical Engineering Research and Design}}, - title = {{ePC-SAFT revised}}, - year = {2014}, - issn = {02638762}, - number = {12}, - pages = {2884--2897}, - volume = {92}, - abstract = {Chemical Engineering Research and Design, 92 (2014) 2884-2897. doi:10.1016/j.cherd.2014.05.017}, - doi = {10.1016/j.cherd.2014.05.017}, - file = {Held2014 ePC-SAFT revised (2):C\:\\Users\\lneumaier\\Documents\\Citavi 6\\Projects\\PhD_Lisa\\Citavi Attachments\\Held2014 ePC-SAFT revised (2).pdf:pdf}, - groups = {Permittivity, Electrolyte thermodynamics}, - keywords = {Activity coefficients;Electrolytes;LLE;Osmotic coefficients;Solubility;VLE}, -} \ No newline at end of file diff --git a/parameters_old/ideal_gas/README.md b/parameters_old/ideal_gas/README.md deleted file mode 100644 index f2c90f014..000000000 --- a/parameters_old/ideal_gas/README.md +++ /dev/null @@ -1,18 +0,0 @@ -# Parameters for ideal gas models - -This directory contains files with parameters for different models for ideal gas heat capacities. -The files named according to the pattern `NameYear.json` correspond to published parameters. The corresponding publication is provided in the [`literature.bib`](literature.bib) file. - -## DIPPR correlations - -The parameters published in the DIPPR database itself are not publicly available. If you have a valid license, contact us to obtain a compatible input file. - -|file|description|publication(s)| -|-|-|:-:| -[`poling2000.json`](poling2000.json) | correlation parameters published in "The Properties of Gases and Liquids, 5th edition" | | - -## Joback group-contribution model - -|file|description|publication(s)| -|-|-|:-:| -[`joback1987.json`](joback1987.json) | group parameters by Joback and Reid; adjusted to the groups of [Sauer et al.](../pcsaft/README.md) | [🔗](https://doi.org/10.1080/00986448708960487)| diff --git a/parameters_old/ideal_gas/joback1987.json b/parameters_old/ideal_gas/joback1987.json deleted file mode 100644 index 5ebb68674..000000000 --- a/parameters_old/ideal_gas/joback1987.json +++ /dev/null @@ -1,244 +0,0 @@ -[ - { - "identifier": "CH3", - "model_record": { - "a": 19.5, - "b": -0.00808, - "c": 0.000153, - "d": -9.67e-08, - "e": 0.0 - }, - "molarweight": 15.0345 - }, - { - "identifier": "CH2", - "model_record": { - "a": -0.909, - "b": 0.095, - "c": -5.44e-05, - "d": 1.19e-08, - "e": 0.0 - }, - "molarweight": 14.02658 - }, - { - "identifier": ">CH", - "model_record": { - "a": -23.0, - "b": 0.204, - "c": -0.000265, - "d": 1.2e-07, - "e": 0.0 - }, - "molarweight": 13.01854 - }, - { - "identifier": ">C<", - "model_record": { - "a": -66.2, - "b": 0.427, - "c": -0.000641, - "d": 3.01e-07, - "e": 0.0 - }, - "molarweight": 12.0107 - }, - { - "identifier": "=CH2", - "model_record": { - "a": 23.6, - "b": -0.0381, - "c": 0.000172, - "d": -1.03e-07, - "e": 0.0 - }, - "molarweight": 14.02658 - }, - { - "identifier": "=CH", - "model_record": { - "a": -8.0, - "b": 0.105, - "c": -9.63e-05, - "d": 3.56e-08, - "e": 0.0 - }, - "molarweight": 13.01854 - }, - { - "identifier": "=C<", - "model_record": { - "a": -28.0, - "b": 0.208, - "c": -0.000306, - "d": 1.46e-07, - "e": 0.0 - }, - "molarweight": 12.0107 - }, - { - "identifier": "C≡CH", - "model_record": { - "a": 32.37, - "b": -0.006999999999999999, - "c": 0.00010267, - "d": -6.641e-08, - "e": 0.0 - }, - "molarweight": 25.02924 - }, - { - "identifier": "CH2_hex", - "model_record": { - "a": -6.03, - "b": 0.0854, - "c": -8e-06, - "d": -1.8e-08, - "e": 0.0 - }, - "molarweight": 14.02658 - }, - { - "identifier": "CH_hex", - "model_record": { - "a": -20.5, - "b": 0.162, - "c": -0.00016, - "d": 6.24e-08, - "e": 0.0 - }, - "molarweight": 13.01854 - }, - { - "identifier": "CH2_pent", - "model_record": { - "a": -6.03, - "b": 0.0854, - "c": -8e-06, - "d": -1.8e-08, - "e": 0.0 - }, - "molarweight": 14.02658 - }, - { - "identifier": "CH_pent", - "model_record": { - "a": -20.5, - "b": 0.162, - "c": -0.00016, - "d": 6.24e-08, - "e": 0.0 - }, - "molarweight": 13.01854 - }, - { - "identifier": "CH_arom", - "model_record": { - "a": -2.14, - "b": 0.0574, - "c": -1.64e-06, - "d": -1.59e-08, - "e": 0.0 - }, - "molarweight": 13.01854 - }, - { - "identifier": "C_arom", - "model_record": { - "a": -8.25, - "b": 0.101, - "c": -0.000142, - "d": 6.78e-08, - "e": 0.0 - }, - "molarweight": 12.0107 - }, - { - "identifier": "CH=O", - "model_record": { - "a": 30.9, - "b": -0.0336, - "c": 0.00016, - "d": -9.88e-08, - "e": 0.0 - }, - "molarweight": 29.01754 - }, - { - "identifier": ">C=O", - "model_record": { - "a": 6.45, - "b": 0.067, - "c": -3.57e-05, - "d": 2.86e-09, - "e": 0.0 - }, - "molarweight": 28.0097 - }, - { - "identifier": "OCH3", - "model_record": { - "a": 45.0, - "b": -0.07128000000000001, - "c": 0.000264, - "d": -1.515e-07, - "e": 0.0 - }, - "molarweight": 31.03322 - }, - { - "identifier": "OCH2", - "model_record": { - "a": 24.591, - "b": 0.031799999999999995, - "c": 5.66e-05, - "d": -4.29e-08, - "e": 0.0 - }, - "molarweight": 30.02538 - }, - { - "identifier": "HCOO", - "model_record": { - "a": 24.1, - "b": 0.0427, - "c": 8.04e-05, - "d": -6.87e-08, - "e": 0.0 - }, - "molarweight": 45.01654 - }, - { - "identifier": "COO", - "model_record": { - "a": 24.5, - "b": 0.0402, - "c": 4.02e-05, - "d": -4.52e-08, - "e": 0.0 - }, - "molarweight": 44.0087 - }, - { - "identifier": "OH", - "model_record": { - "a": 25.7, - "b": -0.0691, - "c": 0.000177, - "d": -9.88e-08, - "e": 0.0 - }, - "molarweight": 17.00734 - }, - { - "identifier": "NH2", - "model_record": { - "a": 26.9, - "b": -0.0412, - "c": 0.000164, - "d": -9.76e-08, - "e": 0.0 - }, - "molarweight": 16.02238 - } -] \ No newline at end of file diff --git a/parameters_old/ideal_gas/literature.bib b/parameters_old/ideal_gas/literature.bib deleted file mode 100644 index d5bf9c51d..000000000 --- a/parameters_old/ideal_gas/literature.bib +++ /dev/null @@ -1,23 +0,0 @@ -@article{Joback1987Jul, - author = {Joback, K. G. and Reid, R. C.}, - title = {{ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS}}, - journal = {Chem. Eng. Commun.}, - volume = {57}, - number = {1-6}, - pages = {233--243}, - year = {1987}, - month = jul, - issn = {0098-6445}, - publisher = {Taylor {\&} Francis}, - doi = {10.1080/00986448708960487} -} - -@book{poling2000, - title = {The Properties of Gases and Liquids 5E}, - author = {Poling, B.E. and Prausnitz, J.M. and O'Connell, J.P.}, - isbn = {9780071499996}, - lccn = {00061622}, - series = {McGraw Hill professional}, - year = {2000}, - publisher = {McGraw Hill LLC} -} \ No newline at end of file diff --git a/parameters_old/ideal_gas/poling2000.json b/parameters_old/ideal_gas/poling2000.json deleted file mode 100644 index 302c7d7ed..000000000 --- a/parameters_old/ideal_gas/poling2000.json +++ /dev/null @@ -1,4593 +0,0 @@ -[ - { - "identifier": { - "cas": "56-23-5", - "name": "tetrachloromethane" - }, - "model_record": { - "DIPPR100": [ - 20935.81687250985, - 348.226323373494, - -0.5953155234597719, - 0.00047716700965581436, - -1.4600196357477087e-07 - ] - } - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether" - }, - "model_record": { - "DIPPR100": [ - 38346.301594922734, - 311.72583247980117, - -0.15548045095946555, - 0.00010941832805489662, - -5.80349490747096e-08 - ] - } - }, - { - "identifier": { - "cas": "62-53-3", - "name": "benzeneamine (aniline)" - }, - "model_record": { - "DIPPR100": [ - 21600.973881962113, - 165.75712675550295, - 0.7015743557197702, - -0.0011114773627947249, - 4.6810424540202736e-07 - ] - } - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol" - }, - "model_record": { - "DIPPR100": [ - 36550.377669401634, - 5.221482524200233, - 0.4611200968027786, - -0.0005840078542990835, - 2.2324332129741445e-07 - ] - } - }, - { - "identifier": { - "cas": "64-18-6", - "name": "methanoic acid (formic acid)" - }, - "model_record": { - "DIPPR100": [ - 31669.788112545688, - 13.037077385264277, - 0.29823977411315666, - -0.0003666678014605578, - 1.3901781497552215e-07 - ] - } - }, - { - "identifier": { - "cas": "64-19-7", - "name": "ethanoic acid (acetic acid)" - }, - "model_record": { - "DIPPR100": [ - 36375.773954420416, - -19.92976689571331, - 0.5618082391086143, - -0.0007286795038549498, - 2.8917700985936967e-07 - ] - } - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol" - }, - "model_record": { - "DIPPR100": [ - 39194.376781974366, - -58.08483585041852, - 0.35012202085043287, - -0.0003694115741245484, - 1.2762700118865222e-07 - ] - } - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol" - }, - "model_record": { - "DIPPR100": [ - 27720.4183689229, - 156.75256374004303, - 0.30297901780550396, - -0.0005084293891000705, - 2.1143678437963686e-07 - ] - } - }, - { - "identifier": { - "cas": "67-64-1", - "name": "propanone (acetone)" - }, - "model_record": { - "DIPPR100": [ - 42619.9353806535, - 12.563153016029544, - 0.4765018526463621, - -0.000596728982104858, - 2.2681854022322033e-07 - ] - } - }, - { - "identifier": { - "cas": "67-66-3", - "name": "trichloromethane" - }, - "model_record": { - "DIPPR100": [ - 19863.251194768087, - 217.98858092274162, - -0.26148984934091934, - 0.00015439957081910563, - -3.5170176874788205e-08 - ] - } - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol" - }, - "model_record": { - "DIPPR100": [ - 39177.74785673806, - 54.584447088176006, - 0.5246425912054694, - -0.0006935093269801616, - 2.6739311779980815e-07 - ] - } - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol" - }, - "model_record": { - "DIPPR100": [ - 37140.70451529051, - 136.31561462462236, - 0.5560712599020886, - -0.0008056714276990488, - 3.2127083556544116e-07 - ] - } - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol" - }, - "model_record": { - "DIPPR100": [ - 45978.97827838741, - 140.40633023275373, - 0.7840538248918504, - -0.001141159994341532, - 4.661919189998521e-07 - ] - } - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene" - }, - "model_record": { - "DIPPR100": [ - 29524.656757062152, - -51.41663683065963, - 1.1943725550977127, - -0.001646845610777612, - 6.846128519787377e-07 - ] - } - }, - { - "identifier": { - "cas": "74-82-8", - "name": "methane" - }, - "model_record": { - "DIPPR100": [ - 37980.46523972399, - -74.62230199792532, - 0.3018981376651441, - -0.00028327374140048084, - 9.071078716405182e-08 - ] - } - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane" - }, - "model_record": { - "DIPPR100": [ - 34737.82481864423, - -36.80812601056439, - 0.4705985841874733, - -0.000552994908733372, - 2.0678068531347104e-07 - ] - } - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethene (ethylene)" - }, - "model_record": { - "DIPPR100": [ - 35095.34671122482, - -73.01761071262175, - 0.48182310872198014, - -0.0005594801895755315, - 2.0877615634182782e-07 - ] - } - }, - { - "identifier": { - "cas": "74-86-2", - "name": "ethyne (acetylene)" - }, - "model_record": { - "DIPPR100": [ - 20037.854909749305, - 90.84381856594229, - -0.02120187967629076, - -6.568425468341058e-05, - 4.356778411912297e-08 - ] - } - }, - { - "identifier": { - "cas": "74-87-3", - "name": "chloromethane" - }, - "model_record": { - "DIPPR100": [ - 29749.147247752288, - -14.550309581768168, - 0.255337147003486, - -0.00030879914163821126, - 1.1706763366359759e-07 - ] - } - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methanamine (methyl amine)" - }, - "model_record": { - "DIPPR100": [ - 34862.54175791652, - -17.643289675721174, - 0.3358211451472093, - -0.0003939392388481004, - 1.455862404438632e-07 - ] - } - }, - { - "identifier": { - "cas": "74-93-1", - "name": "methanethiol (methyl mercaptan)" - }, - "model_record": { - "DIPPR100": [ - 34247.271524173186, - 10.916889417635202, - 0.21542772643635041, - -0.000267060539295082, - 1.0043870842729112e-07 - ] - } - }, - { - "identifier": { - "cas": "74-96-4", - "name": "bromoethane" - }, - "model_record": { - "DIPPR100": [ - 30231.386079605178, - 57.045528023149366, - 0.31170920355456494, - -0.00045280563418462536, - 1.8549566101099875e-07 - ] - } - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane" - }, - "model_record": { - "DIPPR100": [ - 31985.73769203551, - 42.66150769374427, - 0.4997823479771912, - -0.0006562605344508351, - 2.5600230401293817e-07 - ] - } - }, - { - "identifier": { - "cas": "74-99-7", - "name": "1-propyne (methyl acetylene)" - }, - "model_record": { - "DIPPR100": [ - 26257.072948127927, - 101.51958856765104, - 0.0970297787538483, - -0.000192562954236429, - 8.331091543389545e-08 - ] - } - }, - { - "identifier": { - "cas": "75-00-3", - "name": "chloroethane" - }, - "model_record": { - "DIPPR100": [ - 25184.50727038616, - 82.18846298044475, - 0.24669010588060658, - -0.00037830804912597233, - 1.555635955856471e-07 - ] - } - }, - { - "identifier": { - "cas": "75-04-7", - "name": "ethanamine (ethyl amine)" - }, - "model_record": { - "DIPPR100": [ - 38579.10654823102, - 17.202623156959053, - 0.48198939797434326, - -0.0006368046919243565, - 2.5300909747040305e-07 - ] - } - }, - { - "identifier": { - "cas": "75-08-1", - "name": "ethanethiol (ethyl mercaptan)" - }, - "model_record": { - "DIPPR100": [ - 32376.51743508871, - 107.6806053677026, - 0.17061277292450444, - -0.000273296386258697, - 1.090857495501705e-07 - ] - } - }, - { - "identifier": { - "cas": "75-09-2", - "name": "dichloromethane" - }, - "model_record": { - "DIPPR100": [ - 22532.193695195278, - 96.12350232846958, - 0.026938858882816493, - -0.00011390813786869937, - 5.504174253217444e-08 - ] - } - }, - { - "identifier": { - "cas": "75-10-5", - "name": "difluoromethane" - }, - "model_record": { - "DIPPR100": [ - 34505.01986533594, - -46.42795925976769, - 0.364506041179838, - -0.0004290262710967071, - 1.5963768226854216e-07 - ] - } - }, - { - "identifier": { - "cas": "75-18-3", - "name": "2-thiapropane (dimethylsulfide)" - }, - "model_record": { - "DIPPR100": [ - 29391.625355171698, - 145.75252969622628, - 0.0495541972041933, - -0.00013569202992826085, - 5.7868659822346543e-08 - ] - } - }, - { - "identifier": { - "cas": "75-19-4", - "name": "cyclopropane" - }, - "model_record": { - "DIPPR100": [ - 37356.8805433625, - -150.46683000071914, - 1.0595951160574488, - -0.0013343881055874133, - 5.342873678425272e-07 - ] - } - }, - { - "identifier": { - "cas": "75-28-5", - "name": "2-methylpropane (isobutane)" - }, - "model_record": { - "DIPPR100": [ - 27861.764233431502, - 148.68753500043437, - 0.4553831175962529, - -0.0006734714720704123, - 2.696380227067095e-07 - ] - } - }, - { - "identifier": { - "cas": "75-31-0", - "name": "2-propanamine (methyl ethyl amine)" - }, - "model_record": { - "DIPPR100": [ - 30206.442691750715, - 184.75567383798312, - 0.2572494734056612, - -0.0004469023657257366, - 1.8591138414190641e-07 - ] - } - }, - { - "identifier": { - "cas": "75-34-3", - "name": "1,1-dichloroethane" - }, - "model_record": { - "DIPPR100": [ - 21700.74743337995, - 206.63933944896243, - -0.05612262267253436, - -8.605468809788602e-05, - 5.346199463472532e-08 - ] - } - }, - { - "identifier": { - "cas": "75-37-6", - "name": "1,1-difluoroethane (R-152a)" - }, - "model_record": { - "DIPPR100": [ - 27371.21093896046, - 97.6866213006824, - 0.23571501522464433, - -0.00038620678861321796, - 1.6138371941835436e-07 - ] - } - }, - { - "identifier": { - "cas": "75-38-7", - "name": "1,1-difluoroethene" - }, - "model_record": { - "DIPPR100": [ - 6227.5325009967755, - 222.46176181130804, - -0.15839051287581918, - 2.0370433414475435e-05, - 1.6961503741032608e-08 - ] - } - }, - { - "identifier": { - "cas": "75-43-4", - "name": "dichlorofluoromethane" - }, - "model_record": { - "DIPPR100": [ - 24519.350260933898, - 142.42674464896498, - -0.05229796986818387, - -6.82617380950381e-05, - 4.764187080201806e-08 - ] - } - }, - { - "identifier": { - "cas": "75-45-6", - "name": "chlorodifluoromethane (R-22)" - }, - "model_record": { - "DIPPR100": [ - 26306.959723836848, - 86.65332940639306, - 0.09802751426802668, - -0.0002203332593810608, - 1.0160273319383257e-07 - ] - } - }, - { - "identifier": { - "cas": "75-46-7", - "name": "trifluoromethane (R-23)" - }, - "model_record": { - "DIPPR100": [ - 28684.896032628676, - 28.934329911173272, - 0.25043161405877556, - -0.00037015987576018215, - 1.5248724441693041e-07 - ] - } - }, - { - "identifier": { - "cas": "75-50-3", - "name": "N, N-dimethylmethanamine (trimethyl amine)" - }, - "model_record": { - "DIPPR100": [ - 13802.007946134376, - 231.9651925838572, - 0.20927502409891702, - -0.0004240375935258152, - 1.8208673133755593e-07 - ] - } - }, - { - "identifier": { - "cas": "75-52-5", - "name": "nitromethane" - }, - "model_record": { - "DIPPR100": [ - 34887.48514577099, - -9.162537805204868, - 0.42885998184434404, - -0.0005588150325660792, - 2.2116470564287614e-07 - ] - } - }, - { - "identifier": { - "cas": "75-61-6", - "name": "dibromodifluoromethane" - }, - "model_record": { - "DIPPR100": [ - 20586.60944254742, - 300.2768174546042, - -0.47109745194456254, - 0.00036317572716093344, - -1.1008348506434887e-07 - ] - } - }, - { - "identifier": { - "cas": "75-63-8", - "name": "bromotrifluoromethane" - }, - "model_record": { - "DIPPR100": [ - 16288.032268962195, - 255.99398955032007, - -0.3144529762185555, - 0.0001859113841419064, - -4.2819482483489175e-08 - ] - } - }, - { - "identifier": { - "cas": "75-65-0", - "name": "2-methyl-2-propanol (tert-butanol)" - }, - "model_record": { - "DIPPR100": [ - 21709.061895998108, - 299.7530063096606, - 0.12613039791738465, - -0.0003625105701514812, - 1.6188258717544353e-07 - ] - } - }, - { - "identifier": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane" - }, - "model_record": { - "DIPPR100": [ - 19439.21360124227, - 247.69615585740314, - -0.08713556823824593, - -0.00011108122057852726, - 7.707506847028053e-08 - ] - } - }, - { - "identifier": { - "cas": "75-69-4", - "name": "trichlorofluoromethane (R-11)" - }, - "model_record": { - "DIPPR100": [ - 17377.226871940267, - 323.34945121997947, - -0.5054361825575353, - 0.00037764289211652006, - -1.0941832805489662e-07 - ] - } - }, - { - "identifier": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane (R-12)" - }, - "model_record": { - "DIPPR100": [ - 18167.100820664826, - 259.83527127990686, - -0.3096305879000266, - 0.0001604691285303575, - -2.6855714256634963e-08 - ] - } - }, - { - "identifier": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane" - }, - "model_record": { - "DIPPR100": [ - 19696.961942405025, - 198.39139253175443, - -0.13128536474063962, - -3.0430933182440855e-05, - 4.39003626238491e-08 - ] - } - }, - { - "identifier": { - "cas": "75-73-0", - "name": "tetrafluoromethane" - }, - "model_record": { - "DIPPR100": [ - 21975.124699779008, - 127.90137845505127, - 0.07067293225430253, - -0.0002444452009737052, - 1.2213945586067107e-07 - ] - } - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane" - }, - "model_record": { - "DIPPR100": [ - 25001.589092786788, - 324.75459540244736, - 0.4033345816066136, - -0.0006853611536143714, - 2.7994795635321953e-07 - ] - } - }, - { - "identifier": { - "cas": "75-85-4", - "name": "2-methyl-2-butanol" - }, - "model_record": { - "DIPPR100": [ - 35602.52893093217, - 226.55247741943944, - 0.5528286194810088, - -0.0008882340414973105, - 3.719890575361759e-07 - ] - } - }, - { - "identifier": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2- trifluoroethane" - }, - "model_record": { - "DIPPR100": [ - 17734.748764520857, - 525.7899870467745, - -0.7413174870345427, - 0.0005105080047546088, - -1.39932405863519e-07 - ] - } - }, - { - "identifier": { - "cas": "76-14-2", - "name": "1,2-dichloro-1,1,2,2- tetrafluoroethane" - }, - "model_record": { - "DIPPR100": [ - 20994.018110836925, - 446.0210326882123, - -0.4798276376936234, - 0.0002009605614807638, - -1.6545780610124943e-08 - ] - } - }, - { - "identifier": { - "cas": "76-15-3", - "name": "1-chloro-1,1,2,2,2- pentafluoroethane" - }, - "model_record": { - "DIPPR100": [ - 19580.559465750877, - 419.6226138755758, - -0.428693692591981, - 0.00016969818203650759, - -1.1557103039233001e-08 - ] - } - }, - { - "identifier": { - "cas": "76-16-4", - "name": "hexafluoroethane" - }, - "model_record": { - "DIPPR100": [ - 20994.018110836925, - 362.03664578224647, - -0.24511035798315747, - -5.23811144943654e-05, - 8.040085351754182e-08 - ] - } - }, - { - "identifier": { - "cas": "76-19-7", - "name": "octafluoropropane (R-218)" - }, - "model_record": { - "DIPPR100": [ - 13344.712502135948, - 635.9566167373049, - -0.7239402601626025, - 0.00037747660286415705, - -7.117180001139173e-08 - ] - } - }, - { - "identifier": { - "cas": "78-78-4", - "name": "2-methylbutane" - }, - "model_record": { - "DIPPR100": [ - 16288.032268962195, - 317.53764184989035, - 0.20237402012584982, - -0.0004302734404894301, - 1.8000811568301762e-07 - ] - } - }, - { - "identifier": { - "cas": "78-81-9", - "name": "2-methyl-1-propanamine (isobutyl amine)" - }, - "model_record": { - "DIPPR100": [ - 3159.4957948982305, - 440.8910092528118, - -0.2025403093782129, - 1.7210937619577204e-05, - 3.1594957948982304e-09 - ] - } - }, - { - "identifier": { - "cas": "78-86-4", - "name": "2-chlorobutane" - }, - "model_record": { - "DIPPR100": [ - 36999.35865078191, - 185.28779944554492, - 0.3616791238896659, - -0.0005998884778997561, - 2.5068104793732015e-07 - ] - } - }, - { - "identifier": { - "cas": "78-87-5", - "name": "1,2-dichloropropane" - }, - "model_record": { - "DIPPR100": [ - 14109.643063006046, - 337.4175219698947, - -0.18682597502990328, - -3.1594957948982303e-06, - 3.1345524070437713e-08 - ] - } - }, - { - "identifier": { - "cas": "78-92-2", - "name": "2-butanol (sec-butanol)" - }, - "model_record": { - "DIPPR100": [ - 32093.8257060715, - 237.46936683707463, - 0.22681854022322034, - -0.0004273633785730764, - 1.7601717362630405e-07 - ] - } - }, - { - "identifier": { - "cas": "78-93-3", - "name": "butanone (methyl ethyl ketone)" - }, - "model_record": { - "DIPPR100": [ - 52788.523162654914, - 91.97458548201114, - 0.4033345816066136, - -0.000539109756161056, - 2.0528408204220348e-07 - ] - } - }, - { - "identifier": { - "cas": "79-20-9", - "name": "methyl ethanoate (methyl acetate)" - }, - "model_record": { - "DIPPR100": [ - 35269.950426206036, - 119.6284881499888, - 0.2775367621939551, - -0.00040990300707495464, - 1.6055227315653903e-07 - ] - } - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane" - }, - "model_record": { - "DIPPR100": [ - -18408.22023659127, - 618.1969245849295, - -0.30738568299312524, - 2.269848294755834e-05, - 2.5608544863911973e-08 - ] - } - }, - { - "identifier": { - "cas": "85-01-8", - "name": "phenanthrene" - }, - "model_record": { - "DIPPR100": [ - 19738.53425549579, - 319.0425595837761, - 1.3694751378360197, - -0.002229356861805428, - 9.67803448753037e-07 - ] - } - }, - { - "identifier": { - "cas": "90-00-6", - "name": "2-ethylphenol" - }, - "model_record": { - "DIPPR100": [ - -19888.194582622546, - 685.7103610443339, - -0.37215534678853895, - -3.608476776278506e-05, - 7.399871730156383e-08 - ] - } - }, - { - "identifier": { - "cas": "90-12-0", - "name": "1-methylnaphthalene" - }, - "model_record": { - "DIPPR100": [ - -46868.6257785298, - 820.0138757153632, - -0.4120647673556745, - -8.588839884552296e-05, - 1.0650826613854299e-07 - ] - } - }, - { - "identifier": { - "cas": "91-20-3", - "name": "naphthalene" - }, - "model_record": { - "DIPPR100": [ - 24020.482503844705, - 118.94670221530022, - 1.3284848371285243, - -0.0019896509045240697, - 8.458302821447289e-07 - ] - } - }, - { - "identifier": { - "cas": "91-57-6", - "name": "2-methylnaphthalene" - }, - "model_record": { - "DIPPR100": [ - -38836.85488939378, - 780.5783795174623, - -0.3603488098707614, - -0.00011066549744761961, - 1.0950147268107815e-07 - ] - } - }, - { - "identifier": { - "cas": "92-52-4", - "name": "1,1\u2b18-biphenyl" - }, - "model_record": { - "DIPPR100": [ - -7009.09198710318, - 510.44148905366364, - 0.5281346655050937, - -0.0011435711885007965, - 5.129191989138732e-07 - ] - } - }, - { - "identifier": { - "cas": "95-47-6", - "name": "1,2-dimethylbenzene (o-xylene)" - }, - "model_record": { - "DIPPR100": [ - 27346.267551106004, - 283.8890116342242, - 0.41480854001966505, - -0.0006930104592230724, - 2.775367621939551e-07 - ] - } - }, - { - "identifier": { - "cas": "95-48-7", - "name": "2-methylphenol (o-cresol)" - }, - "model_record": { - "DIPPR100": [ - 25966.066756492564, - 258.0144039665313, - 0.5115057402687871, - -0.0008983776858914575, - 3.859573547346733e-07 - ] - } - }, - { - "identifier": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene" - }, - "model_record": { - "DIPPR100": [ - 44224.626665957076, - 166.90452259680814, - 1.0005624314685608, - -0.0014028992775609959, - 5.55988115275907e-07 - ] - } - }, - { - "identifier": { - "cas": "95-65-8", - "name": "3,4-dimethylphenol (3,4 xylenol)" - }, - "model_record": { - "DIPPR100": [ - 11698.448903741606, - 564.1030307912247, - -0.11182952221416106, - -0.0002826917290172101, - 1.6229831030635122e-07 - ] - } - }, - { - "identifier": { - "cas": "95-87-4", - "name": "2,5-dimethylphenol (2,5 xylenol)" - }, - "model_record": { - "DIPPR100": [ - 25009.90355540494, - 419.93856345506566, - 0.24610809349733587, - -0.0006275756384182064, - 2.78617642334315e-07 - ] - } - }, - { - "identifier": { - "cas": "95-93-2", - "name": "1,2,4,5-tetramethylbenzene" - }, - "model_record": { - "DIPPR100": [ - 27870.078696049655, - 560.1952333606927, - 0.04381721799766757, - -0.0004059952096444226, - 1.9040119395570915e-07 - ] - } - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane" - }, - "model_record": { - "DIPPR100": [ - 3600.162313660352, - 92.64805695408154, - 0.06069557711251865, - -0.0001340291374046302, - 5.736979206525735e-08 - ] - } - }, - { - "identifier": { - "cas": "96-22-0", - "name": "3-pentanone (diethyl ketone)" - }, - "model_record": { - "DIPPR100": [ - 67106.02779111479, - 113.52567258826431, - 0.5088451122309782, - -0.0006931767484754355, - 2.704694689685249e-07 - ] - } - }, - { - "identifier": { - "cas": "96-37-7", - "name": "methylcyclopentane" - }, - "model_record": { - "DIPPR100": [ - 44723.494423046264, - -68.66083230070944, - 1.4378200205572396, - -0.00179974857832545, - 6.870240461380021e-07 - ] - } - }, - { - "identifier": { - "cas": "96-41-3", - "name": "cyclopentanol" - }, - "model_record": { - "DIPPR100": [ - 36334.20164132965, - 47.58366956369098, - 1.1105627719067281, - -0.0015591280301560952, - 6.4295739426179e-07 - ] - } - }, - { - "identifier": { - "cas": "98-82-8", - "name": "1-methylethylbenzene (cumene)" - }, - "model_record": { - "DIPPR100": [ - 24818.670915187417, - 284.3213636903681, - 0.9925805473551336, - -0.0016755305068102406, - 7.418994994178134e-07 - ] - } - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene" - }, - "model_record": { - "DIPPR100": [ - 37780.918136888315, - 87.95038557482496, - 1.1344252796208278, - -0.0016026958142752181, - 6.555953774413829e-07 - ] - } - }, - { - "identifier": { - "cas": "102-25-0", - "name": "1,3,5-triethylbenzene" - }, - "model_record": { - "DIPPR100": [ - 10966.776193344122, - 729.9349877102909, - 0.11690134441123452, - -0.0006387170183265317, - 2.989049311226089e-07 - ] - } - }, - { - "identifier": { - "cas": "103-65-1", - "name": "propylbenzene" - }, - "model_record": { - "DIPPR100": [ - 39568.52759979126, - 199.181266480479, - 0.9860121218867925, - -0.0014461344831753927, - 5.873336393463448e-07 - ] - } - }, - { - "identifier": { - "cas": "104-51-8", - "name": "butylbenzene" - }, - "model_record": { - "DIPPR100": [ - 53960.86239181452, - 158.6399467543638, - 1.302460569133705, - -0.0018340873089384229, - 7.389062928752783e-07 - ] - } - }, - { - "identifier": { - "cas": "105-05-5", - "name": "1,4-diethylbenzene" - }, - "model_record": { - "DIPPR100": [ - -2984.8920799170123, - 626.6693619928277, - 0.03674992477223731, - -0.00047691757577726976, - 2.3139149466320462e-07 - ] - } - }, - { - "identifier": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol (2,4 xylenol)" - }, - "model_record": { - "DIPPR100": [ - 31195.86374331095, - 347.02904075647984, - 0.48340285661942933, - -0.0009239030861291879, - 4.0366716011133976e-07 - ] - } - }, - { - "identifier": { - "cas": "106-42-3", - "name": "1,4-dimethylbenzene (p-xylene)" - }, - "model_record": { - "DIPPR100": [ - 34197.384748464276, - 123.96032317404664, - 0.9819380352038974, - -0.0013905107282599478, - 5.600622019588022e-07 - ] - } - }, - { - "identifier": { - "cas": "106-44-5", - "name": "4-methylphenol (p-cresol)" - }, - "model_record": { - "DIPPR100": [ - 23953.96680289948, - 227.87447697572583, - 0.6604177657599117, - -0.0011160503172347091, - 4.858140507786937e-07 - ] - } - }, - { - "identifier": { - "cas": "106-93-4", - "name": "1,2-dibromoethane" - }, - "model_record": { - "DIPPR100": [ - 31461.926547091854, - 204.4276923925337, - -0.06235846963614929, - -7.36661387968377e-05, - 4.996992033510096e-08 - ] - } - }, - { - "identifier": { - "cas": "106-97-8", - "name": "butane" - }, - "model_record": { - "DIPPR100": [ - 46120.32414289601, - 46.02886505409633, - 0.6698962531446064, - -0.0008789218433649788, - 3.437198846344549e-07 - ] - } - }, - { - "identifier": { - "cas": "106-98-9", - "name": "1-butene" - }, - "model_record": { - "DIPPR100": [ - 36492.176431074564, - 66.38266954333545, - 0.5107574386331535, - -0.0006817859346885657, - 2.6315274186455e-07 - ] - } - }, - { - "identifier": { - "cas": "106-99-0", - "name": "1,3-butadiene" - }, - "model_record": { - "DIPPR100": [ - 29990.266663678733, - 42.27904241330922, - 0.6861925998761867, - -0.001028582170491737, - 4.4241255591193384e-07 - ] - } - }, - { - "identifier": { - "cas": "107-00-6", - "name": "1-butyne" - }, - "model_record": { - "DIPPR100": [ - 24901.81554136895, - 172.94082245758736, - 0.1297056168431905, - -0.00028784669584046513, - 1.2671241030065536e-07 - ] - } - }, - { - "identifier": { - "cas": "107-06-2", - "name": "1,2-dichloroethane" - }, - "model_record": { - "DIPPR100": [ - 24860.243228278185, - 192.87058935330066, - -0.03359042897733908, - -9.42028614636762e-05, - 5.130023435400548e-08 - ] - } - }, - { - "identifier": { - "cas": "107-10-8", - "name": "1-propanamine (propyl amine)" - }, - "model_record": { - "DIPPR100": [ - 34438.50416439072, - 104.81211576443972, - 0.4548842498391637, - -0.0006255801673898497, - 2.426160191977115e-07 - ] - } - }, - { - "identifier": { - "cas": "107-18-6", - "name": "2-propen-1-ol (allyl alcohol)" - }, - "model_record": { - "DIPPR100": [ - 2061.986729302003, - 290.4906949530378, - -0.14009869511588208, - -1.5963768226854218e-05, - 2.693885888281649e-08 - ] - } - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl methanoate (methyl formate)" - }, - "model_record": { - "DIPPR100": [ - 18932.031381534925, - 149.7684151407943, - 0.09644776637057757, - -0.0002428654530762561, - 1.1158008833561646e-07 - ] - } - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane" - }, - "model_record": { - "DIPPR100": [ - 17427.11364764919, - 385.9490402720552, - 0.25974381219110715, - -0.0005677946521936846, - 2.41285705178807e-07 - ] - } - }, - { - "identifier": { - "cas": "107-87-9", - "name": "2-pentanone (methyl propyl ketone)" - }, - "model_record": { - "DIPPR100": [ - 65152.12907584878, - 75.25420115690495, - 0.6703951209016956, - -0.0009018697601910819, - 3.561084339355032e-07 - ] - } - }, - { - "identifier": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane" - }, - "model_record": { - "DIPPR100": [ - -26049.211382674097, - 814.1771229574196, - -0.5746956561667519, - 0.0002015425738640345, - -2.0786156545383096e-08 - ] - } - }, - { - "identifier": { - "cas": "108-24-7", - "name": "acetic anhydride" - }, - "model_record": { - "DIPPR100": [ - -10592.625375527226, - 417.1532184779843, - -0.12130800959885574, - -0.0001622151656801697, - 1.0343191496982628e-07 - ] - } - }, - { - "identifier": { - "cas": "108-38-3", - "name": "1,3-dimethylbenzene (m-xylene)" - }, - "model_record": { - "DIPPR100": [ - 33274.47939784926, - 145.81073093455333, - 0.880501591262428, - -0.0012502457438917024, - 4.995329140986465e-07 - ] - } - }, - { - "identifier": { - "cas": "108-39-4", - "name": "3-methylphenol (m-cresol)" - }, - "model_record": { - "DIPPR100": [ - 23912.394489808714, - 217.35668176376194, - 0.7103876860950127, - -0.001183813187572658, - 5.14582091437504e-07 - ] - } - }, - { - "identifier": { - "cas": "108-47-4", - "name": "2,3-dimethylpyridine (2,3 lutidine)" - }, - "model_record": { - "DIPPR100": [ - 35128.60456169743, - 111.35559784492632, - 0.9448555319269341, - -0.0013443654607291971, - 5.475073634053907e-07 - ] - } - }, - { - "identifier": { - "cas": "108-48-5", - "name": "2,5-dimethylpyridine (2,5 lutidine)" - }, - "model_record": { - "DIPPR100": [ - 34779.39713173499, - 118.5060356965381, - 0.9333815735138825, - -0.001341372254186662, - 5.49585979059929e-07 - ] - } - }, - { - "identifier": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene (mesitylene)" - }, - "model_record": { - "DIPPR100": [ - 44108.22418930293, - 166.61351640517276, - 0.9649765314628649, - -0.0013566708654040639, - 5.406895040585051e-07 - ] - } - }, - { - "identifier": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol (3,5 xylenol)" - }, - "model_record": { - "DIPPR100": [ - 23854.193251481644, - 359.733539637018, - 0.4906364390972226, - -0.0009535025730498134, - 4.2012979609528315e-07 - ] - } - }, - { - "identifier": { - "cas": "108-87-2", - "name": "methylcyclohexane" - }, - "model_record": { - "DIPPR100": [ - 26173.928321946394, - 153.3020617535094, - 1.1327623870971972, - -0.0015625369598295381, - 6.122770272008046e-07 - ] - } - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene" - }, - "model_record": { - "DIPPR100": [ - 32143.71248178042, - 29.582857995389222, - 1.1104796272805464, - -0.0015513955799212127, - 6.393821753359841e-07 - ] - } - }, - { - "identifier": { - "cas": "108-90-7", - "name": "chlorobenzene" - }, - "model_record": { - "DIPPR100": [ - 864.7041122879367, - 318.34414472385123, - 0.15032548413621055, - -0.00047658499727254363, - 2.2598709396140502e-07 - ] - } - }, - { - "identifier": { - "cas": "108-93-0", - "name": "cyclohexanol" - }, - "model_record": { - "DIPPR100": [ - 26930.544420198337, - 179.46767561283767, - 0.8582188314457773, - -0.001227380971691781, - 4.89306125078318e-07 - ] - } - }, - { - "identifier": { - "cas": "108-94-1", - "name": "cyclohexanone" - }, - "model_record": { - "DIPPR100": [ - 36716.66692176471, - -10.37644934745524, - 1.443972722894673, - -0.0019655389629314257, - 7.977726882118033e-07 - ] - } - }, - { - "identifier": { - "cas": "108-95-2", - "name": "phenol" - }, - "model_record": { - "DIPPR100": [ - 21467.94248007166, - 145.51141028029983, - 0.739488305258549, - -0.00120019267893042, - 5.2522460358874e-07 - ] - } - }, - { - "identifier": { - "cas": "108-99-6", - "name": "3-methylpyridine (3-picoline)" - }, - "model_record": { - "DIPPR100": [ - 34421.875239154404, - 23.114206078466, - 1.0358157529695304, - -0.0014407300824735932, - 5.918234491601475e-07 - ] - } - }, - { - "identifier": { - "cas": "109-06-8", - "name": "2-methylpyridine (2-picoline)" - }, - "model_record": { - "DIPPR100": [ - 34554.90664104486, - 22.44073460639559, - 1.0407212859142407, - -0.0014487119665870204, - 5.955649573383165e-07 - ] - } - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane" - }, - "model_record": { - "DIPPR100": [ - 62807.45061752957, - -3.0597222434803917, - 0.9849312417464327, - -0.0012420975705259123, - 4.783310344223558e-07 - ] - } - }, - { - "identifier": { - "cas": "109-67-1", - "name": "1-pentene" - }, - "model_record": { - "DIPPR100": [ - 42229.1556376003, - 99.10007994576846, - 0.6516875800108509, - -0.000911431392201958, - 3.642566073012934e-07 - ] - } - }, - { - "identifier": { - "cas": "109-73-9", - "name": "1-butanamine (butyl amine)" - }, - "model_record": { - "DIPPR100": [ - 22182.98626523284, - 318.99267280806714, - 0.09561632010876224, - -0.0003173630381349091, - 1.4234360002278346e-07 - ] - } - }, - { - "identifier": { - "cas": "109-89-7", - "name": "n-ethylethanamine (diethyl amine)" - }, - "model_record": { - "DIPPR100": [ - 25176.192807768006, - 269.1640983374748, - 0.2351330028413736, - -0.0004572954439984281, - 1.9123264021752449e-07 - ] - } - }, - { - "identifier": { - "cas": "109-97-7", - "name": "pyrrole" - }, - "model_record": { - "DIPPR100": [ - 29549.600144916607, - -53.42873678425271, - 1.0169419228263228, - -0.0014098834261602447, - 5.899111227579723e-07 - ] - } - }, - { - "identifier": { - "cas": "109-99-9", - "name": "tetrahydrofuran" - }, - "model_record": { - "DIPPR100": [ - 42994.086198470395, - -161.83270039973462, - 1.3685605469480229, - -0.0016978132666268912, - 6.651570094522591e-07 - ] - } - }, - { - "identifier": { - "cas": "110-00-9", - "name": "furan" - }, - "model_record": { - "DIPPR100": [ - 31727.98935087276, - -86.91107774755581, - 1.034818017455352, - -0.001405726194851168, - 5.836752757943574e-07 - ] - } - }, - { - "identifier": { - "cas": "110-02-1", - "name": "thiophene" - }, - "model_record": { - "DIPPR100": [ - 25467.198999403372, - 12.637983179592924, - 0.7910379734910992, - -0.001174750423318871, - 5.061844841931692e-07 - ] - } - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane" - }, - "model_record": { - "DIPPR100": [ - 73425.01938091124, - -1.3802007946134376, - 1.189134443648276, - -0.0015227106838885843, - 5.923223169172367e-07 - ] - } - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane" - }, - "model_record": { - "DIPPR100": [ - 33548.85666424832, - -36.85801278627331, - 1.3996566371399162, - -0.0017273296089213351, - 6.440382744021498e-07 - ] - } - }, - { - "identifier": { - "cas": "110-83-8", - "name": "cyclohexene" - }, - "model_record": { - "DIPPR100": [ - 32210.22818272565, - -7.557846519901293, - 1.2390212193571957, - -0.001655160073395765, - 6.660716003402558e-07 - ] - } - }, - { - "identifier": { - "cas": "110-86-1", - "name": "pyridine" - }, - "model_record": { - "DIPPR100": [ - -29142.1914766271, - 410.6429942479703, - -0.14517051731295552, - -0.00013303140189045183, - 9.120965492114103e-08 - ] - } - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol" - }, - "model_record": { - "DIPPR100": [ - 56405.31440155157, - 141.84473226569423, - 0.992331113476589, - -0.001425680905134736, - 5.807652138780037e-07 - ] - } - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane" - }, - "model_record": { - "DIPPR100": [ - 89995.74337889065, - 41.430967226257586, - 1.4759002593483814, - -0.0019237172159621149, - 7.466387431101609e-07 - ] - } - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene" - }, - "model_record": { - "DIPPR100": [ - 72709.97559575006, - 110.08348506434888, - 1.255151276836413, - -0.0017377226871940269, - 6.955879426346999e-07 - ] - } - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol" - }, - "model_record": { - "DIPPR100": [ - 65975.26087504595, - 149.8515597669758, - 1.1825660181799351, - -0.001689498804008738, - 6.869409015118205e-07 - ] - } - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane" - }, - "model_record": { - "DIPPR100": [ - 101037.34973579815, - 38.03866647805107, - 1.6974806881221651, - -0.002226363655262893, - 8.701085129897364e-07 - ] - } - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol" - }, - "model_record": { - "DIPPR100": [ - 76434.85484868272, - 151.55602460369724, - 1.3870186539603233, - -0.001965622107557607, - 7.965255188190802e-07 - ] - } - }, - { - "identifier": { - "cas": "112-30-1", - "name": "1-decanol" - }, - "model_record": { - "DIPPR100": [ - 96755.40148744924, - 159.05566988527147, - 1.7890229215480322, - -0.0025168709791411666, - 1.018272236845227e-06 - ] - } - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane" - }, - "model_record": { - "DIPPR100": [ - 143249.87644816213, - -60.21333828066575, - 2.654142756966877, - -0.0035188468692548135, - 1.4152878268620444e-06 - ] - } - }, - { - "identifier": { - "cas": "112-41-4", - "name": "1-dodecene" - }, - "model_record": { - "DIPPR100": [ - 113218.03747139266, - 125.61490123505912, - 2.057580064114382, - -0.002836146343678251, - 1.136503895275366e-06 - ] - } - }, - { - "identifier": { - "cas": "112-42-5", - "name": "1-undecanol" - }, - "model_record": { - "DIPPR100": [ - 107447.8004143943, - 157.7502992542214, - 2.0057809620032874, - -0.002811618678954699, - 1.1370027630324554e-06 - ] - } - }, - { - "identifier": { - "cas": "112-53-8", - "name": "1-dodecanol" - }, - "model_record": { - "DIPPR100": [ - 117009.43242527053, - 165.77375568073927, - 2.1960158667066336, - -0.003075436577828701, - 1.2430953060400908e-06 - ] - } - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane" - }, - "model_record": { - "DIPPR100": [ - 230842.7401304065, - -86.378952139994, - 4.438177000944018, - -0.005950411461933728, - 2.404043721412827e-06 - ] - } - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propene (propylene)" - }, - "model_record": { - "DIPPR100": [ - 31877.649677999518, - 32.368202972470556, - 0.3897820075390238, - -0.0004999486372295542, - 1.8981918157243843e-07 - ] - } - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether" - }, - "model_record": { - "DIPPR100": [ - 36259.37147776627, - 50.46878809219016, - 0.24103627130026237, - -0.00029774090635606746, - 1.0659141076472453e-07 - ] - } - }, - { - "identifier": { - "cas": "115-11-7", - "name": "2-methylpropene" - }, - "model_record": { - "DIPPR100": [ - 26864.028719253114, - 174.17967738769218, - 0.1923135203578844, - -0.00032833812879087137, - 1.3020448460027973e-07 - ] - } - }, - { - "identifier": { - "cas": "115-25-3", - "name": "octafluorocyclobutane" - }, - "model_record": { - "DIPPR100": [ - 7890.425024627423, - 672.9892332385595, - -0.6631615384239022, - 0.00024693953975915117, - -7.233582477793318e-09 - ] - } - }, - { - "identifier": { - "cas": "116-14-3", - "name": "tetrafluoroethene" - }, - "model_record": { - "DIPPR100": [ - 18483.050400154647, - 303.90192315611904, - -0.39709873464299866, - 0.0002729638077539708, - -7.740764697500664e-08 - ] - } - }, - { - "identifier": { - "cas": "120-12-7", - "name": "anthracene" - }, - "model_record": { - "DIPPR100": [ - 21426.370166980894, - 264.616087285345, - 1.5640335631008058, - -0.0024712245793675055, - 1.0675770001708757e-06 - ] - } - }, - { - "identifier": { - "cas": "120-92-3", - "name": "cyclopentanone" - }, - "model_record": { - "DIPPR100": [ - 35702.30248235, - -10.276675796037402, - 1.0875317104544437, - -0.0014576084415884442, - 5.879156517296155e-07 - ] - } - }, - { - "identifier": { - "cas": "121-44-8", - "name": "N, N-diethylethanamine (triethyl amine)" - }, - "model_record": { - "DIPPR100": [ - 38088.55325375999, - 333.31849189914516, - 0.48165681946961714, - -0.0008341068898531328, - 3.4862541757916525e-07 - ] - } - }, - { - "identifier": { - "cas": "123-07-9", - "name": "4-ethyl-phenol" - }, - "model_record": { - "DIPPR100": [ - -30164.87037865995, - 734.7324326409654, - -0.4705985841874733, - 5.1217089727823954e-05, - 4.5563255147479746e-08 - ] - } - }, - { - "identifier": { - "cas": "123-91-1", - "name": "1,4-dioxane" - }, - "model_record": { - "DIPPR100": [ - 31012.94556571158, - 15.390070306201645, - 0.9795268410446331, - -0.0012970561684319051, - 5.135843559233256e-07 - ] - } - }, - { - "identifier": { - "cas": "124-11-8", - "name": "1-nonene" - }, - "model_record": { - "DIPPR100": [ - 82836.9910646607, - 113.94139571917198, - 1.4559455490648137, - -0.002012099953593084, - 8.06004006203775e-07 - ] - } - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane" - }, - "model_record": { - "DIPPR100": [ - 111970.86807866966, - 34.41356077653626, - 1.9228857697002995, - -0.0025339987721345624, - 9.952411753929428e-07 - ] - } - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide" - }, - "model_record": { - "DIPPR100": [ - 27096.833672561403, - 11.274411310215791, - 0.12488322852466165, - -0.00019738534255495788, - 8.78007252476982e-08 - ] - } - }, - { - "identifier": { - "cas": "124-40-3", - "name": "N-methylmethanamine (dimethyl amine)" - }, - "model_record": { - "DIPPR100": [ - 20528.408204220344, - 128.55822100188539, - 0.21966810237160858, - -0.00033465712038066787, - 1.3003819534791665e-07 - ] - } - }, - { - "identifier": { - "cas": "141-78-6", - "name": "ethyl ethanoate (ethyl acetate)" - }, - "model_record": { - "DIPPR100": [ - 85040.32365847132, - -124.2845872161546, - 1.0836239130239116, - -0.0013083638375925937, - 4.987846124630129e-07 - ] - } - }, - { - "identifier": { - "cas": "142-29-0", - "name": "cyclopentene" - }, - "model_record": { - "DIPPR100": [ - 37872.377225688, - -103.16585216604538, - 1.2633825948283846, - -0.001635953664747831, - 6.568425468341058e-07 - ] - } - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane" - }, - "model_record": { - "DIPPR100": [ - 80101.5328632883, - 34.55490664104486, - 1.2882428380566628, - -0.0016683800689586289, - 6.460337454305067e-07 - ] - } - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol" - }, - "model_record": { - "DIPPR100": [ - 86054.68809788601, - 158.84780831981763, - 1.580329909832386, - -0.0022347612625072274, - 9.055281237430692e-07 - ] - } - }, - { - "identifier": { - "cas": "287-23-0", - "name": "cyclobutane" - }, - "model_record": { - "DIPPR100": [ - 39402.238347428196, - -136.54841957793064, - 1.2045993441180414, - -0.0015000122009410258, - 5.89412255000883e-07 - ] - } - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane" - }, - "model_record": { - "DIPPR100": [ - 41730.2878805111, - -164.07760530663603, - 1.4897022672945157, - -0.0018042383881392528, - 6.830331040812885e-07 - ] - } - }, - { - "identifier": { - "cas": "288-14-2", - "name": "1,2-oxazole (isoxazole)" - }, - "model_record": { - "DIPPR100": [ - 32517.863299597317, - -80.69185970917718, - 0.8630412197643061, - -0.0011201244039176043, - 4.4557205170683207e-07 - ] - } - }, - { - "identifier": { - "cas": "291-64-5", - "name": "3,5-dimethylpyridine (3,5 lutidine)" - }, - "model_record": { - "DIPPR100": [ - 33216.27815952219, - 44.05833741359401, - 1.4941920771083186, - -0.0020103539164432714, - 8.035928120445105e-07 - ] - } - }, - { - "identifier": { - "cas": "292-64-8", - "name": "cyclooctane" - }, - "model_record": { - "DIPPR100": [ - 35220.06365049712, - 109.07743508755235, - 1.3563382868993377, - -0.0017520235628972504, - 6.640761293118992e-07 - ] - } - }, - { - "identifier": { - "cas": "302-01-2", - "name": "hydrazine" - }, - "model_record": { - "DIPPR100": [ - 30156.555916041794, - 18.6160818020451, - 0.23912394489808714, - -0.0003375671822970215, - 1.4051441824678974e-07 - ] - } - }, - { - "identifier": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane (R-123)" - }, - "model_record": { - "DIPPR100": [ - 24910.130003987102, - 328.3381287908714, - -0.22806570961594333, - -1.014364439414695e-05, - 4.7558726175836524e-08 - ] - } - }, - { - "identifier": { - "cas": "307-34-6", - "name": "octadecafluorooctane" - }, - "model_record": { - "DIPPR100": [ - 27870.078696049655, - 1610.336805421301, - -2.0393713909806266, - 0.0012879934041781181, - -3.294190089312313e-07 - ] - } - }, - { - "identifier": { - "cas": "307-45-9", - "name": "docosafluorodecane" - }, - "model_record": { - "DIPPR100": [ - 33607.05790257539, - 2000.933630296904, - -2.568171213495172, - 0.001655160073395765, - -4.3393180404141753e-07 - ] - } - }, - { - "identifier": { - "cas": "327-54-8", - "name": "1,2,4,5-tetrafluorobenzene" - }, - "model_record": { - "DIPPR100": [ - 58.20123832707267, - 576.5331524053637, - -0.5148315253160486, - 0.00019480785914333037, - -1.679521448866954e-08 - ] - } - }, - { - "identifier": { - "cas": "335-57-9", - "name": "hexadecafluoroheptane" - }, - "model_record": { - "DIPPR100": [ - 24960.01677969602, - 1415.4956884274982, - -1.7763849383684394, - 0.0011058235282143808, - -2.777861960724997e-07 - ] - } - }, - { - "identifier": { - "cas": "344-07-0", - "name": "chloropentafluorobenzene" - }, - "model_record": { - "DIPPR100": [ - 24893.501078750796, - 623.3269480203301, - -0.7024058019815856, - 0.0004064940774015119, - -9.786122501566361e-08 - ] - } - }, - { - "identifier": { - "cas": "352-93-2", - "name": "3-thiapentane (diethyl sulfide)" - }, - "model_record": { - "DIPPR100": [ - 36043.195449694285, - 216.85781400667278, - 0.3291695750526867, - -0.0005721181727551244, - 2.411194159264439e-07 - ] - } - }, - { - "identifier": { - "cas": "353-36-6", - "name": "fluoroethane" - }, - "model_record": { - "DIPPR100": [ - 32268.429421052715, - 13.436171590935635, - 0.3990110610451739, - -0.000512254041904421, - 1.9655389629314256e-07 - ] - } - }, - { - "identifier": { - "cas": "353-59-3", - "name": "bromochlorodifluoromethane" - }, - "model_record": { - "DIPPR100": [ - 16362.862432525573, - 304.2428161234633, - -0.45638085311043125, - 0.0003355717112686647, - -9.72792126323929e-08 - ] - } - }, - { - "identifier": { - "cas": "354-23-4", - "name": "1,2-dichloro-1,2,2-trifluoroethane (R-123a)" - }, - "model_record": { - "DIPPR100": [ - 22440.73460639559, - 360.007916903417, - -0.30455876570295315, - 5.820123832707267e-05, - 2.6772569630453428e-08 - ] - } - }, - { - "identifier": { - "cas": "354-25-6", - "name": "1-chloro-1,1,2,2-tetrafluoroethane" - }, - "model_record": { - "DIPPR100": [ - 24012.168041226552, - 318.94278603235824, - -0.20520093741602194, - -3.325785047261296e-05, - 5.628891192489742e-08 - ] - } - }, - { - "identifier": { - "cas": "354-33-6", - "name": "pentafluoroethane" - }, - "model_record": { - "DIPPR100": [ - 26157.29939671009, - 248.91006739965349, - -0.004656099066165814, - -0.00025101362644204626, - 1.3876838109697754e-07 - ] - } - }, - { - "identifier": { - "cas": "355-25-9", - "name": "decafluoro-2-methylpropane" - }, - "model_record": { - "DIPPR100": [ - 16337.919044671115, - 829.7667403664569, - -0.9836009277275282, - 0.0005554061028926364, - -1.211417203464927e-07 - ] - } - }, - { - "identifier": { - "cas": "355-42-0", - "name": "tetradecafluorohexane" - }, - "model_record": { - "DIPPR100": [ - 22116.470564287614, - 1220.0060433494791, - -1.5114861593540774, - 0.000921741325848468, - -2.2532193695195276e-07 - ] - } - }, - { - "identifier": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane (R-134)" - }, - "model_record": { - "DIPPR100": [ - 25641.802714384587, - 273.05526684277055, - -0.20162571849021604, - 4.05745775765878e-05, - 1.3469429441408245e-08 - ] - } - }, - { - "identifier": { - "cas": "363-72-4", - "name": "pentafluorobenzene" - }, - "model_record": { - "DIPPR100": [ - 9952.411753929428, - 603.3971811246168, - -0.6126927503317121, - 0.00030563964584331304, - -5.969784159834025e-08 - ] - } - }, - { - "identifier": { - "cas": "374-07-2", - "name": "1,1-dichloro-1,2,2,2- tetrafluoroethane" - }, - "model_record": { - "DIPPR100": [ - 18857.201217971542, - 469.0604086031149, - -0.5743630776620257, - 0.0003286707072955975, - -7.158752314229939e-08 - ] - } - }, - { - "identifier": { - "cas": "375-96-2", - "name": "eicosafluorononane" - }, - "model_record": { - "DIPPR100": [ - 30738.568299312523, - 1805.5936455460117, - -2.303605012985536, - 0.0014716598834131232, - -3.8155068954705214e-07 - ] - } - }, - { - "identifier": { - "cas": "392-56-3", - "name": "hexafluorobenzene" - }, - "model_record": { - "DIPPR100": [ - 21043.904886545846, - 625.812972343158, - -0.6992463061866874, - 0.0004028357138495244, - -9.694663412766676e-08 - ] - } - }, - { - "identifier": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane (R-143a)" - }, - "model_record": { - "DIPPR100": [ - 21426.370166980894, - 197.27725454092192, - 0.03990942056713554, - -0.00023480042433664746, - 1.196451170752251e-07 - ] - } - }, - { - "identifier": { - "cas": "430-66-0", - "name": "1,1,2-trifluoroethane (R-143)" - }, - "model_record": { - "DIPPR100": [ - 29358.367504699087, - 136.77291006862077, - 0.17244195470049817, - -0.0003506208886075221, - 1.55397306333284e-07 - ] - } - }, - { - "identifier": { - "cas": "463-49-0", - "name": "1,2-propadiene" - }, - "model_record": { - "DIPPR100": [ - 28294.11628957547, - 52.13999507843896, - 0.2816939935030317, - -0.0004251184736661751, - 1.7967553717829148e-07 - ] - } - }, - { - "identifier": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane (neopentane)" - }, - "model_record": { - "DIPPR100": [ - -95017.67880025522, - 1297.363803548777, - -2.775617055818096, - 0.00333634441478635, - -1.4804732137883657e-06 - ] - } - }, - { - "identifier": { - "cas": "464-06-2", - "name": "2,2,3-trimethylbutane" - }, - "model_record": { - "DIPPR100": [ - -5911.5829215069525, - 611.6284991165885, - -0.08372663856480311, - -0.0002509304818158648, - 1.3161794324536576e-07 - ] - } - }, - { - "identifier": { - "cas": "493-01-6", - "name": "cis-bicyclo[4.4.0]decane (cis-decalin)" - }, - "model_record": { - "DIPPR100": [ - -45272.248955844385, - 665.7223929102935, - 0.42112753160946154, - -0.0009774482253900947, - 4.230398580116368e-07 - ] - } - }, - { - "identifier": { - "cas": "493-02-7", - "name": "trans-bicyclo[4.4.0]decane (trans-decalin)" - }, - "model_record": { - "DIPPR100": [ - -17917.666942120228, - 447.7504409127882, - 1.0484537361491233, - -0.001744457401914731, - 7.537891809617726e-07 - ] - } - }, - { - "identifier": { - "cas": "505-22-6", - "name": "1,3-dioxane" - }, - "model_record": { - "DIPPR100": [ - 31877.649677999518, - -2.0703011919201564, - 0.9964883447856656, - -0.001288242838056663, - 5.027755545197263e-07 - ] - } - }, - { - "identifier": { - "cas": "513-35-9", - "name": "2-methyl-2-butene" - }, - "model_record": { - "DIPPR100": [ - 10309.933646510015, - 326.7833242812767, - 0.022449049069013745, - -0.00020786156545383094, - 9.312198132331628e-08 - ] - } - }, - { - "identifier": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene" - }, - "model_record": { - "DIPPR100": [ - 33607.05790257539, - 259.01213948070966, - 0.8468280176589073, - -0.0013520979109640798, - 5.755271024285671e-07 - ] - } - }, - { - "identifier": { - "cas": "534-22-5", - "name": "2-methylfuran" - }, - "model_record": { - "DIPPR100": [ - 32858.7562669416, - 46.02055059147818, - 0.7692540814315376, - -0.0010847047931642714, - 4.4507318394974285e-07 - ] - } - }, - { - "identifier": { - "cas": "540-54-5", - "name": "1-chloropropane" - }, - "model_record": { - "DIPPR100": [ - 36292.62932823889, - 82.27160760662629, - 0.4461540640901028, - -0.0006408787786072516, - 2.59411233686381e-07 - ] - } - }, - { - "identifier": { - "cas": "540-67-0", - "name": "methyl ethyl ether" - }, - "model_record": { - "DIPPR100": [ - 33324.36617355818, - 178.70274505196758, - 0.14990976100530287, - -0.00027712103906304747, - 1.1066549744761961e-07 - ] - } - }, - { - "identifier": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane (isooctane)" - }, - "model_record": { - "DIPPR100": [ - 3192.7536453708435, - 640.7041748922704, - 0.05529117641071903, - -0.0004626998447002277, - 2.177557759694333e-07 - ] - } - }, - { - "identifier": { - "cas": "543-59-9", - "name": "1-chloropentane" - }, - "model_record": { - "DIPPR100": [ - 58633.59038321664, - 81.14084069055745, - 0.8489066333134456, - -0.0011704269027574315, - 4.6893569166384265e-07 - ] - } - }, - { - "identifier": { - "cas": "544-76-3", - "name": "hexadecane" - }, - "model_record": { - "DIPPR100": [ - 330474.94568373676, - -1714.0430976575265, - 9.54616711040646, - -0.012932980313285, - 5.6150891845436075e-06 - ] - } - }, - { - "identifier": { - "cas": "560-21-4", - "name": "2,3,3-trimethylpentane" - }, - "model_record": { - "DIPPR100": [ - -47608.612951545445, - 980.5994067223749, - -0.7433129580628995, - 0.00033357624024030793, - -6.784601496413043e-08 - ] - } - }, - { - "identifier": { - "cas": "562-49-2", - "name": "3,3-dimethylpentane" - }, - "model_record": { - "DIPPR100": [ - -3990.9420567135544, - 610.40627311172, - -0.06152702337433397, - -0.0002961611584586183, - 1.51489508902752e-07 - ] - } - }, - { - "identifier": { - "cas": "563-16-6", - "name": "3,3-dimethylhexane" - }, - "model_record": { - "DIPPR100": [ - -17402.17025979473, - 785.5504281631179, - -0.23347011031774292, - -0.00023371954419628755, - 1.509906411456628e-07 - ] - } - }, - { - "identifier": { - "cas": "563-45-1", - "name": "3-methyl-1-butene" - }, - "model_record": { - "DIPPR100": [ - 17526.887199067027, - 348.47575725203853, - -0.03458816449151747, - -0.00016105114091362823, - 7.93199733771819e-08 - ] - } - }, - { - "identifier": { - "cas": "564-02-3", - "name": "2,2,3-trimethylpentane" - }, - "model_record": { - "DIPPR100": [ - -37331.93715550804, - 898.1448809381492, - -0.539276045413419, - 0.00011981140632758816, - 1.18065369177776e-08 - ] - } - }, - { - "identifier": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane" - }, - "model_record": { - "DIPPR100": [ - -35868.591734713074, - 804.0750508763634, - -0.53661541737561, - 0.00018516308250627264, - -2.6024267994819637e-08 - ] - } - }, - { - "identifier": { - "cas": "575-43-9", - "name": "1,6-dimethylnaphthalene" - }, - "model_record": { - "DIPPR100": [ - -36018.25206183983, - 864.2634457691746, - -0.3788069168830615, - -0.0001470828437151308, - 1.3062020773118737e-07 - ] - } - }, - { - "identifier": { - "cas": "576-26-1", - "name": "2,6-dimethylphenol (2,6 xylenol)" - }, - "model_record": { - "DIPPR100": [ - 21650.860657671034, - 432.2689115177869, - 0.2230770320450514, - -0.000613607341219709, - 2.777030514463182e-07 - ] - } - }, - { - "identifier": { - "cas": "582-16-1", - "name": "2,7-dimethylnaphthalene" - }, - "model_record": { - "DIPPR100": [ - -27337.953088487848, - 842.1552896675053, - -0.39477068510991575, - -8.971305164987344e-05, - 1.0135329931528798e-07 - ] - } - }, - { - "identifier": { - "cas": "583-48-2", - "name": "3,4-dimethylhexane" - }, - "model_record": { - "DIPPR100": [ - -51117.31617640611, - 968.8178131924517, - -0.694340773241977, - 0.00024619123812351737, - -2.860175140644714e-08 - ] - } - }, - { - "identifier": { - "cas": "583-58-4", - "name": "2,6-dimethylpyridine (2,6 lutidine)" - }, - "model_record": { - "DIPPR100": [ - 28377.260915757, - 264.45811249560006, - 0.43933620474321716, - -0.0007359130863327432, - 3.0015210051533187e-07 - ] - } - }, - { - "identifier": { - "cas": "584-94-1", - "name": "2,3-dimethylhexane" - }, - "model_record": { - "DIPPR100": [ - -29882.178649642738, - 839.6193785689685, - -0.40574577576587806, - -2.8435462154084077e-05, - 6.560111005722905e-08 - ] - } - }, - { - "identifier": { - "cas": "589-38-8", - "name": "3-hexanone (ethyl propyl ketone)" - }, - "model_record": { - "DIPPR100": [ - 77798.42671805984, - 112.28681765815948, - 0.7262683096956853, - -0.000990917654831503, - 3.916111893150175e-07 - ] - } - }, - { - "identifier": { - "cas": "589-43-5", - "name": "2,4-dimethylhexane" - }, - "model_record": { - "DIPPR100": [ - -28036.36794841272, - 903.3247911492587, - -0.6042119984611958, - 0.00018092270657101448, - -8.563896496697835e-09 - ] - } - }, - { - "identifier": { - "cas": "589-53-7", - "name": "4-methylheptane" - }, - "model_record": { - "DIPPR100": [ - 18142.157432810367, - 522.3810573733316, - 0.3674161030961916, - -0.000833192298965136, - 3.6234428089911813e-07 - ] - } - }, - { - "identifier": { - "cas": "589-93-5", - "name": "2,4-dimethylpyridine (2,4 lutidine)" - }, - "model_record": { - "DIPPR100": [ - 35311.5227392968, - 112.13715733103274, - 0.959073263003976, - -0.0013772075880709024, - 5.656328919129647e-07 - ] - } - }, - { - "identifier": { - "cas": "590-18-1", - "name": "cis-2-butene" - }, - "model_record": { - "DIPPR100": [ - 30672.052598367296, - 159.50465086665173, - 0.1854125163848172, - -0.0002848534892979299, - 1.0442965048400467e-07 - ] - } - }, - { - "identifier": { - "cas": "590-35-2", - "name": "2,2-dimethylpentane" - }, - "model_record": { - "DIPPR100": [ - 10933.518342871508, - 502.7090388187811, - 0.2338858334486506, - -0.0006335620515032767, - 2.855186463073822e-07 - ] - } - }, - { - "identifier": { - "cas": "590-73-8", - "name": "2,2-dimethylhexane" - }, - "model_record": { - "DIPPR100": [ - 28701.52495786498, - 459.14125469965813, - 0.5043553024171754, - -0.0009371230816920514, - 3.9344037109101123e-07 - ] - } - }, - { - "identifier": { - "cas": "591-22-0", - "name": "3,4-dimethylpyridine (3,4 lutidine)" - }, - "model_record": { - "DIPPR100": [ - 34380.30292606364, - 126.51286319781968, - 0.8972968057510975, - -0.0012894900074493856, - 5.258066159720108e-07 - ] - } - }, - { - "identifier": { - "cas": "591-76-4", - "name": "2-methylhexane" - }, - "model_record": { - "DIPPR100": [ - 28701.52495786498, - 385.5665749916201, - 0.4528056341846253, - -0.0008210531835426322, - 3.3997837645628594e-07 - ] - } - }, - { - "identifier": { - "cas": "591-78-6", - "name": "2-hexanone (methyl butyl ketone)" - }, - "model_record": { - "DIPPR100": [ - 76044.07510562953, - 72.34413924055133, - 0.8926407066849317, - -0.0012055970796322195, - 4.795782038150788e-07 - ] - } - }, - { - "identifier": { - "cas": "592-13-2", - "name": "2,5-dimethylhexane" - }, - "model_record": { - "DIPPR100": [ - -11365.870399015477, - 725.7278696255055, - -0.14957718250057675, - -0.0002779524853248628, - 1.5439957081910564e-07 - ] - } - }, - { - "identifier": { - "cas": "592-27-8", - "name": "2-methylheptane" - }, - "model_record": { - "DIPPR100": [ - 43709.129983631574, - 342.4560863164956, - 0.8097455143819439, - -0.0013047054740406062, - 5.462601940126678e-07 - ] - } - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene" - }, - "model_record": { - "DIPPR100": [ - 52406.05788221986, - 102.7002422594288, - 0.8528975753701592, - -0.00118664010486283, - 4.7458952624418683e-07 - ] - } - }, - { - "identifier": { - "cas": "592-76-7", - "name": "1-heptene" - }, - "model_record": { - "DIPPR100": [ - 62524.75888851235, - 106.62466861519714, - 1.0534424137200151, - -0.0014615162390189762, - 5.849224451870803e-07 - ] - } - }, - { - "identifier": { - "cas": "593-45-3", - "name": "octadecane" - }, - "model_record": { - "DIPPR100": [ - 208942.44559419088, - -79.84378452212556, - 3.9921892261062775, - -0.005342541099920544, - 2.1569378924013135e-06 - ] - } - }, - { - "identifier": { - "cas": "593-53-3", - "name": "fluoromethane" - }, - "model_record": { - "DIPPR100": [ - 37922.26400139692, - -86.77804634566535, - 0.4001750858117154, - -0.00042146011011418765, - 1.470828437151308e-07 - ] - } - }, - { - "identifier": { - "cas": "594-82-1", - "name": "2,2,3,3-tetramethylbutane" - }, - "model_record": { - "DIPPR100": [ - 6385.507290741687, - 606.5400479942788, - 0.13793693483516223, - -0.0005256403267196478, - 2.3995539115990245e-07 - ] - } - }, - { - "identifier": { - "cas": "609-26-7", - "name": "3-ethyl-2-methylpentane" - }, - "model_record": { - "DIPPR100": [ - -7258.525865647777, - 791.4786400098612, - -0.44224626665957073, - 9.811065889420822e-05 - ] - } - }, - { - "identifier": { - "cas": "617-78-7", - "name": "3-ethylpentane" - }, - "model_record": { - "DIPPR100": [ - 63173.2869727283, - 162.52280079704133, - 0.9678865933792186, - -0.0013392104939059422, - 5.302964257858135e-07 - ] - } - }, - { - "identifier": { - "cas": "619-99-8", - "name": "3-ethylhexane" - }, - "model_record": { - "DIPPR100": [ - 59681.212673103946, - 280.3636794841272, - 0.8617940503715832, - -0.001273110516091624, - 5.061844841931692e-07 - ] - } - }, - { - "identifier": { - "cas": "620-17-7", - "name": "3-ethylphenol" - }, - "model_record": { - "DIPPR100": [ - -33498.969888539395, - 749.690150891023, - -0.48864096806886587, - 5.820123832707267e-05, - 4.539696589511668e-08 - ] - } - }, - { - "identifier": { - "cas": "622-96-8", - "name": "1-ethyl-4-methylbenzene" - }, - "model_record": { - "DIPPR100": [ - 42378.81596472706, - 144.54693261659406, - 1.1307669160688405, - -0.001604691285303575, - 6.499415428610387e-07 - ] - } - }, - { - "identifier": { - "cas": "624-64-6", - "name": "trans-2-butene" - }, - "model_record": { - "DIPPR100": [ - 46427.95925976768, - -40.657722202769335, - 0.7593598709159353, - -0.000912512272342318, - 3.396457979515598e-07 - ] - } - }, - { - "identifier": { - "cas": "624-89-5", - "name": "2-thiabutane (methyl ethyl sulfide)" - }, - "model_record": { - "DIPPR100": [ - 23413.526732719518, - 242.66590597342042, - 0.06709771332849664, - -0.00024012168041226553, - 1.101666296905304e-07 - ] - } - }, - { - "identifier": { - "cas": "627-19-0", - "name": "1-pentyne" - }, - "model_record": { - "DIPPR100": [ - 28119.512574594253, - 263.46869144403985, - 0.06568425468341059, - -0.0002584966427983842, - 1.1781593529923139e-07 - ] - } - }, - { - "identifier": { - "cas": "627-20-3", - "name": "cis-2-pentene" - }, - "model_record": { - "DIPPR100": [ - 24120.256055262544, - 264.2751943180007, - 0.15315240142638264, - -0.0003286707072955975, - 1.337797035260856e-07 - ] - } - }, - { - "identifier": { - "cas": "629-50-5", - "name": "tridecane" - }, - "model_record": { - "DIPPR100": [ - 154200.02371626996, - -63.48923655221813, - 2.8771366443857467, - -0.0038228236225744962, - 1.538923885993983e-06 - ] - } - }, - { - "identifier": { - "cas": "629-59-4", - "name": "tetradecane" - }, - "model_record": { - "DIPPR100": [ - 152778.25060856575, - 54.75073634053907, - 2.686153438046767, - -0.003547199186782716, - 1.3793693483516223e-06 - ] - } - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane" - }, - "model_record": { - "DIPPR100": [ - 176100.3182524856, - -70.04103309532287, - 3.323207563849668, - -0.004430777129213861, - 1.7861128596316785e-06 - ] - } - }, - { - "identifier": { - "cas": "629-78-7", - "name": "heptadecane" - }, - "model_record": { - "DIPPR100": [ - 197992.29832608305, - -76.57620071319133, - 3.7691953386874077, - -0.005038564346600862, - 2.0333018332693745e-06 - ] - } - }, - { - "identifier": { - "cas": "629-92-5", - "name": "nonadecane" - }, - "model_record": { - "DIPPR100": [ - 219892.59286229868, - -83.12799725629608, - 4.215183113525147, - -0.005646517853240228, - 2.28049080690707e-06 - ] - } - }, - { - "identifier": { - "cas": "630-08-0", - "name": "carbon monoxide" - }, - "model_record": { - "DIPPR100": [ - 32526.17776221547, - -32.53449222483362, - 0.09827694814657129, - -0.00010808801403599211, - 4.2819482483489175e-08 - ] - } - }, - { - "identifier": { - "cas": "678-26-2", - "name": "dodecafluoropentane" - }, - "model_record": { - "DIPPR100": [ - 19247.980961024747, - 1024.6577441359689, - -1.2469199588444413, - 0.0007379085573610999, - -1.730239670837689e-07 - ] - } - }, - { - "identifier": { - "cas": "691-37-2", - "name": "4-methylpent-1-ene" - }, - "model_record": { - "DIPPR100": [ - -11024.977431671196, - 545.6366093163062, - -0.2959948692062553, - 4.273633785730765e-05, - 1.4633454207949699e-08 - ] - } - }, - { - "identifier": { - "cas": "771-56-2", - "name": "pentafluorotoluene" - }, - "model_record": { - "DIPPR100": [ - 50543.618255753536, - 401.8629217232005, - 0.013136850936682116, - -0.00032102140168689653, - 1.6196573180162509e-07 - ] - } - }, - { - "identifier": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane (R-134a)" - }, - "model_record": { - "DIPPR100": [ - 25475.513462021525, - 211.35363975345533, - 0.048722750942377976, - -0.00027761990682013667, - 1.4267617852750955e-07 - ] - } - }, - { - "identifier": { - "cas": "872-05-9", - "name": "1-decene" - }, - "model_record": { - "DIPPR100": [ - 92914.11975786244, - 118.24828735537535, - 1.6552432180219467, - -0.002285479484477962, - 9.155886235110347e-07 - ] - } - }, - { - "identifier": { - "cas": "1067-08-9", - "name": "3-ethyl-3-methylpentane" - }, - "model_record": { - "DIPPR100": [ - -11224.524534506872, - 736.5283565664864, - -0.163046611941985, - -0.0002609909815838301, - 1.4874573623876143e-07 - ] - } - }, - { - "identifier": { - "cas": "1070-87-7", - "name": "2,2,4,4-tetramethylpentane" - }, - "model_record": { - "DIPPR100": [ - 30106.669140332877, - 564.3441502071511, - 0.40533005263497035, - -0.0008405090260691109, - 3.56856735571137e-07 - ] - } - }, - { - "identifier": { - "cas": "1071-81-4", - "name": "2,2,5,5-tetramethylhexane" - }, - "model_record": { - "DIPPR100": [ - 6651.570094522591, - 726.4844857237573, - 0.2634021757430946, - -0.0007774022547973277, - 3.443018970177256e-07 - ] - } - }, - { - "identifier": { - "cas": "108-89-4", - "name": "4-methylpyridine (4-picoline)" - }, - "model_record": { - "DIPPR100": [ - 32459.662061270243, - 35.71893140758632, - 1.0028904810016437, - -0.0014038138684489927, - 5.771899949521979e-07 - ] - } - }, - { - "identifier": { - "cas": "1186-53-4", - "name": "2,2,3,4-tetramethylpentane" - }, - "model_record": { - "DIPPR100": [ - -45081.01631562685, - 1026.894334580252, - -0.6677344928638865, - 0.00021534458181016888, - -2.1700747433379953e-08 - ] - } - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "hydrogen" - }, - "model_record": { - "DIPPR100": [ - 23970.595728135788, - 30.60553689742207, - -0.06418765141214301, - 5.753608131762041e-05, - -1.7709805376666398e-08 - ] - } - }, - { - "identifier": { - "cas": "1511-62-2", - "name": "bromodifluoromethane" - }, - "model_record": { - "DIPPR100": [ - 27055.261359470638, - 115.32991097640357, - -0.005820123832707267, - -9.39534275851316e-05, - 5.038564346600862e-08 - ] - } - }, - { - "identifier": { - "cas": "1640-89-7", - "name": "ethylcyclopentane" - }, - "model_record": { - "DIPPR100": [ - 48614.66292834199, - -0.39909420567135545, - 1.4556129705600873, - -0.0018707540890844786, - 7.196998842273442e-07 - ] - } - }, - { - "identifier": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane (R-141b)" - }, - "model_record": { - "DIPPR100": [ - 17792.95000284793, - 307.0863623388717, - -0.25949437831256256, - 7.707506847028051e-05, - 5.6538345803442025e-09 - ] - } - }, - { - "identifier": { - "cas": "1759-58-6", - "name": "trans-1,3-dimethylcyclopentane" - }, - "model_record": { - "DIPPR100": [ - -20969.074722982466, - 503.34093797776075, - 0.22473992456868205, - -0.0006295711094465632, - 2.7944908859613036e-07 - ] - } - }, - { - "identifier": { - "cas": "2207-04-7", - "name": "t-1,4-dimethylcyclohexane" - }, - "model_record": { - "DIPPR100": [ - 32443.033136033937, - 166.77149119491764, - 1.2758542887556144, - -0.001721675774340991, - 6.629952491715393e-07 - ] - } - }, - { - "identifier": { - "cas": "2532-58-3", - "name": "cis-1,3-dimethylcyclopentane" - }, - "model_record": { - "DIPPR100": [ - -20969.074722982466, - 503.34093797776075, - 0.22473992456868205, - -0.0006295711094465632, - 2.7944908859613036e-07 - ] - } - }, - { - "identifier": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane" - }, - "model_record": { - "DIPPR100": [ - 25126.306032059085, - 297.9404534589031, - -0.14500422806059246, - -0.00010068814230583572, - 8.264575842444319e-08 - ] - } - }, - { - "identifier": { - "cas": "3221-61-2", - "name": "2-methyloctane" - }, - "model_record": { - "DIPPR100": [ - 49171.73192375825, - 391.1040070953102, - 0.863623232147577, - -0.0013873512324650494, - 5.697069785958599e-07 - ] - } - }, - { - "identifier": { - "cas": "3522-94-9", - "name": "2,2,5-trimethylhexane" - }, - "model_record": { - "DIPPR100": [ - -7316.72710397485, - 766.1943591880572, - -0.0351701768747882, - -0.00043742387834104187, - 2.1625917269816574e-07 - ] - } - }, - { - "identifier": { - "cas": "7154-79-2", - "name": "2,2,3,3-tetramethylpentane" - }, - "model_record": { - "DIPPR100": [ - -50044.75049866435, - 1093.4432933759504, - -0.8244621132160752, - 0.0003758137103405264, - -7.765708085355125e-08 - ] - } - }, - { - "identifier": { - "cas": "7154-80-5", - "name": "3,3,5-trimethylheptane" - }, - "model_record": { - "DIPPR100": [ - -24935.073391841564, - 982.0045509048427, - -0.3477108266911685, - -0.00019638760704077948, - 1.427593231536911e-07 - ] - } - }, - { - "identifier": { - "cas": "7439-90-9", - "name": "krypton" - }, - "model_record": { - "DIPPR100": [ - 20786.156545383095 - ] - } - }, - { - "identifier": { - "cas": "7440-01-9", - "name": "neon" - }, - "model_record": { - "DIPPR100": [ - 20786.156545383095 - ] - } - }, - { - "identifier": { - "cas": "7440-37-1", - "name": "argon" - }, - "model_record": { - "DIPPR100": [ - 20786.156545383095 - ] - } - }, - { - "identifier": { - "cas": "7440-63-3", - "name": "xenon" - }, - "model_record": { - "DIPPR100": [ - 20786.156545383095 - ] - } - }, - { - "identifier": { - "cas": "7446-09-5", - "name": "sulfur dioxide" - }, - "model_record": { - "DIPPR100": [ - 36724.98138438285, - -18.574509488954334, - 0.1948910037695119, - -0.00027196607223979244, - 1.1582046427087461e-07 - ] - } - }, - { - "identifier": { - "cas": "7446-11-9", - "name": "sulfur trioxide" - }, - "model_record": { - "DIPPR100": [ - 28485.348929792995, - 53.869403303014835, - 0.14059756287297126, - -0.0002790333654652227, - 1.3219995562863651e-07 - ] - } - }, - { - "identifier": { - "cas": "7553-56-2", - "name": "iodine" - }, - "model_record": { - "DIPPR100": [ - 29167.134864481563, - 52.40605788221986, - -0.12147429885121883, - 0.0001222226004868526, - -4.414979650239369e-08 - ] - } - }, - { - "identifier": { - "cas": "7616-94-6", - "name": "perchloryl fluoride" - }, - "model_record": { - "DIPPR100": [ - 3907.7974305320217, - 302.1309426184524, - -0.39876162716662933, - 0.00026165613859328244, - -6.901003973067188e-08 - ] - } - }, - { - "identifier": { - "cas": "7647-01-0", - "name": "hydrogen chloride" - }, - "model_record": { - "DIPPR100": [ - 31819.448439672444, - -24.411262246897905, - 0.07308412641356697, - -8.572210959315988e-05, - 3.6500490893692717e-08 - ] - } - }, - { - "identifier": { - "cas": "7664-39-3", - "name": "hydrogen fluoride" - }, - "model_record": { - "DIPPR100": [ - 32434.71867341578, - -30.830027388112207, - 0.09686348950148523, - -0.00012180687735594495, - 5.3129416129999195e-08 - ] - } - }, - { - "identifier": { - "cas": "7664-41-7", - "name": "ammonia" - }, - "model_record": { - "DIPPR100": [ - 35236.69257573343, - -35.0454599355159, - 0.1696981820365076, - -0.00017676547526193786, - 6.327306052414615e-08 - ] - } - }, - { - "identifier": { - "cas": "7698-05-7", - "name": "deuterium chloride" - }, - "model_record": { - "DIPPR100": [ - 32567.750075306234, - -32.96684428097759, - 0.10018927454874653, - -0.00011000034043816734, - 4.331835024057837e-08 - ] - } - }, - { - "identifier": { - "cas": "7704-34-9", - "name": "sulfur" - }, - "model_record": { - "DIPPR100": [ - 23305.438718683527, - -0.2993206542535166, - 0.011889681543959132, - -3.6167912388966585e-05, - 2.2282759816650677e-08 - ] - } - }, - { - "identifier": { - "cas": "7726-95-6", - "name": "bromine" - }, - "model_record": { - "DIPPR100": [ - 26706.053929508205, - 59.53155234597718, - -0.12704498880538148, - 0.0001201439848323143, - -4.1489168464584663e-08 - ] - } - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen" - }, - "model_record": { - "DIPPR100": [ - 29424.883205644313, - -2.170074743337995, - 0.0005820123832707267, - 1.3053706310500584e-05, - -8.231317991971706e-09 - ] - } - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water" - }, - "model_record": { - "DIPPR100": [ - 36542.06320678348, - -34.80434051958945, - 0.11681819978505299, - -0.00013003819534791665, - 5.2547403746728464e-08 - ] - } - }, - { - "identifier": { - "cas": "7782-39-0", - "name": "deuterium" - }, - "model_record": { - "DIPPR100": [ - 29848.920799170126, - -3.8412817295867963, - 0.004739243692347347, - 2.993206542535166e-06, - -2.161760280719842e-09 - ] - } - }, - { - "identifier": { - "cas": "7782-41-4", - "name": "Fluorine" - }, - "model_record": { - "DIPPR100": [ - 27828.50638295889, - 3.8828540426775624, - 0.043734073371486035, - -6.601683318813672e-05, - 2.7437726639905687e-08 - ] - } - }, - { - "identifier": { - "cas": "7782-44-7", - "name": "oxygen" - }, - "model_record": { - "DIPPR100": [ - 30181.499303896257, - -14.91614593696691, - 0.054709164027448305, - -4.988677570891943e-05, - 1.4882888086494297e-08 - ] - } - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine" - }, - "model_record": { - "DIPPR100": [ - 25408.997761076298, - 44.65531582957742, - -0.06733051828180492, - 4.7334235685146385e-05, - -1.2684544170254581e-08 - ] - } - }, - { - "identifier": { - "cas": "7783-06-4", - "name": "hydrogen sulfide" - }, - "model_record": { - "DIPPR100": [ - 35469.49752904171, - -28.585122481210835, - 0.10966776193344122, - -0.00011066549744761961, - 4.0574577576587806e-08 - ] - } - }, - { - "identifier": { - "cas": "7783-41-7", - "name": "oxygen difluoride" - }, - "model_record": { - "DIPPR100": [ - 28576.80801859268, - 45.954034890532945, - 0.04173860234312926, - -0.00012080914184176655, - 6.111130024342631e-08 - ] - } - }, - { - "identifier": { - "cas": "7783-60-0", - "name": "sulfur tetrafluoride" - }, - "model_record": { - "DIPPR100": [ - -6718.085795467817, - 425.9914922410812, - -0.6860263106238237, - 0.0005267212068600076, - -1.568939096045516e-07 - ] - } - }, - { - "identifier": { - "cas": "7789-20-0", - "name": "deuterium oxide" - }, - "model_record": { - "DIPPR100": [ - 35536.013229986944, - -28.80961297190097, - 0.11440700562578857, - -0.00012322033600103098, - 4.72261476711104e-08 - ] - } - }, - { - "identifier": { - "cas": "7440-59-7", - "name": "helium" - }, - "model_record": { - "DIPPR100": [ - 20786.156545383095 - ] - } - }, - { - "identifier": { - "cas": "10022-50-1", - "name": "nitrogen dioxyfluoride" - }, - "model_record": { - "DIPPR100": [ - 13469.429441408247, - 173.63092285489407, - -0.20885930096800936, - 0.00013186737712391036, - -3.49207429962436e-08 - ] - } - }, - { - "identifier": { - "cas": "10024-97-2", - "name": "dinitrogen oxide (nitrous oxide)" - }, - "model_record": { - "DIPPR100": [ - 26315.274186455, - 28.277487364339162, - 0.08223003529353554, - -0.00015631189722128087, - 7.399871730156383e-08 - ] - } - }, - { - "identifier": { - "cas": "10028-15-6", - "name": "ozone" - }, - "model_record": { - "DIPPR100": [ - 34139.1835101372, - -31.669788112545685, - 0.26032582457437786, - -0.00035752189258058927, - 1.5074120726711822e-07 - ] - } - }, - { - "identifier": { - "cas": "10034-85-2", - "name": "hydrogen iodide" - }, - "model_record": { - "DIPPR100": [ - 30331.159631023016, - -11.573731964469308, - 0.0323432595846161, - -2.7105148135179557e-05, - 9.145908879968561e-09 - ] - } - }, - { - "identifier": { - "cas": "10035-10-6", - "name": "hydrogen bromide" - }, - "model_record": { - "DIPPR100": [ - 31944.165378944745, - -25.758205191038734, - 0.0762436222084652, - -8.580525421934143e-05, - 3.5419610753332796e-08 - ] - } - }, - { - "identifier": { - "cas": "10043-92-2", - "name": "radon" - }, - "model_record": { - "DIPPR100": [ - 20786.156545383095 - ] - } - }, - { - "identifier": { - "cas": "10102-43-9", - "name": "nitrogen monoxide (nitric oxide)" - }, - "model_record": { - "DIPPR100": [ - 37697.77351070678, - -63.555752253163355, - 0.1717767976910459, - -0.0001792598140473838, - 6.701456870231511e-08 - ] - } - }, - { - "identifier": { - "cas": "10544-72-6", - "name": "dinitrogen tetroxide (nitrogen dioxide)" - }, - "model_record": { - "DIPPR100": [ - 28052.996873649026, - 226.62730758300282, - -0.1593882483899976, - -5.1217089727823954e-05, - 7.142123388993632e-08 - ] - } - }, - { - "identifier": { - "cas": "13465-07-1", - "name": "dihydrogen disulfide" - }, - "model_record": { - "DIPPR100": [ - 27969.852247467494, - 67.28894596871416, - 0.0528799822514546, - -0.000165540950727431, - 8.713556823824594e-08 - ] - } - }, - { - "identifier": { - "cas": "13475-81-5", - "name": "2,2,3,3-tetramethylhexane" - }, - "model_record": { - "DIPPR100": [ - -63838.443982180564, - 1278.481658942951, - -1.0489526039062125, - 0.0005130854881662363, - -1.1000034043816735e-07 - ] - } - }, - { - "identifier": { - "cas": "13536-59-9", - "name": "deuteriumbromide" - }, - "model_record": { - "DIPPR100": [ - 30896.543089057435, - -19.272924348879208, - 0.0613607341219709, - -5.961469697215872e-05, - 2.0786156545383096e-08 - ] - } - }, - { - "identifier": { - "cas": "13536-94-2", - "name": "deuterium sulfide" - }, - "model_record": { - "DIPPR100": [ - 35669.04463187739, - -32.792240565996366, - 0.16412749208234492, - -0.00018857201217971543, - 7.250211403029624e-08 - ] - } - }, - { - "identifier": { - "cas": "13550-49-7", - "name": "trideuteroammonia" - }, - "model_record": { - "DIPPR100": [ - 34006.152108246744, - -26.96380227067095, - 0.19680333017168714, - -2.195018131192455e-05, - 7.990198576045262e-08 - ] - } - }, - { - "identifier": { - "cas": "13983-20-5", - "name": "deuterium hydride" - }, - "model_record": { - "DIPPR100": [ - 32368.202972470557, - -29.16713486448156, - 0.09004563015459957, - -0.0001111643652047088, - 4.822388318528878e-08 - ] - } - }, - { - "identifier": { - "cas": "14104-45-1", - "name": "deuterium iodide" - }, - "model_record": { - "DIPPR100": [ - 31104.404654511265, - -23.795992013154567, - 0.08314462618153239, - -8.738500211679054e-05, - 3.1761247201345375e-08 - ] - } - }, - { - "identifier": { - "cas": "14762-55-1", - "name": "helium-3" - }, - "model_record": { - "DIPPR100": [ - 20786.156545383095 - ] - } - }, - { - "identifier": { - "cas": "16747-38-9", - "name": "2,3,3,4-tetramethylpentane" - }, - "model_record": { - "DIPPR100": [ - -76401.59699821011, - 1346.2861015939907, - -1.4905337135563312, - 0.0010550221616174643, - -3.216865586963488e-07 - ] - } - }, - { - "identifier": { - "cas": "20291-95-6", - "name": "2,2,5-trimethylheptane" - }, - "model_record": { - "DIPPR100": [ - -7990.198576045262, - 833.8907138250609, - 0.019705276405023175, - -0.0005722844620074874, - 2.791165100914042e-07 - ] - } - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/README.md b/parameters_old/pcsaft/README.md deleted file mode 100644 index 254777fc4..000000000 --- a/parameters_old/pcsaft/README.md +++ /dev/null @@ -1,67 +0,0 @@ -# PC(P)-SAFT Parameters - -This directory contains files with parameters for PC(P)-SAFT (including gc-PC-SAFT). -The files named according to the pattern `NameYear.json` correspond to published parameters. The corresponding publication is provided in the [`literature.bib`](literature.bib) file. - -For most applications, we recommend using the recent parametrization by [Esper et al.](https://doi.org/10.1021/acs.iecr.3c02255) together with binary interaction parameters from [Rehner et al.](https://doi.org/10.1007/s10765-023-03290-3) In Python reading parameters from the two JSON files is done by - -```python -from feos.pcsaft import PcSaftParameters - -params = PcSaftParameters.from_json( - ["acetone", "hexane"], - "esper2023.json", - "rehner2023_binary.json" -) -``` -For some applications (e.g., aqueous systems) more specialized parametrizations are required. See below for a full list of PC(P)-SAFT pure-component parameter sets available in the repository. - -## Individual Parameters - -|file|file binary|description|publication(s)| -|-|-|-|:-:| -[`gross2001.json`](gross2001.json) | | non-associating and non-polar substances| [🔗](https://doi.org/10.1021/ie0003887) -[`gross2002.json`](gross2002.json) | | associating substances | [🔗](https://doi.org/10.1021/ie010954d) -[`gross2005_fit.json`](gross2005_fit.json) | | quadrupolar substances, quadrupole moment adjusted in regression | [🔗](https://doi.org/10.1002/aic.10502) -[`gross2005_literature.json`](gross2005_literature.json) | | quadrupolar substances, quadrupole moment taken from literature | [🔗](https://doi.org/10.1002/aic.10502) -[`gross2006.json`](gross2006.json) | | dipolar substances | [🔗](https://doi.org/10.1002/aic.10683) -[`loetgeringlin2018.json`](loetgeringlin2018.json) | | 146 components including viscosity parameters | [🔗](https://doi.org/10.1021/acs.iecr.7b04871) -[`rehner2020.json`](rehner2020.json) | | water and alcohols with surface tension data included in the regression | [🔗](https://doi.org/10.1021/acs.jced.0c00684) -[`eller2022.json`](eller2022.json) | | hydrogen used in subsurface storage | [🔗](https://doi.org/10.1029/2021WR030885) -[`esper2023.json`](esper2023.json) | [`rehner2023_binary.json`](rehner2023_binary.json) | 1842 non-associating, associating and polar substances | [🔗](https://doi.org/10.1021/acs.iecr.3c02255)[🔗](https://doi.org/10.1007/s10765-023-03290-3) - -## Group-Contribution (GC) Methods -Parameters can also be constructed from group-contribution methods. In Python only and if you have [`rdkit`](https://pypi.org/project/rdkit/) installed in your environment, you can generate parameters directly from a SMILES code: -```Python -PcSaftParameters.from_json_smiles( - ["CCC(C)=O"], - "sauer2014_smarts.json", - "sauer2014_homo.json" -) -``` -or -```Python -PcSaftParameters.from_json_smiles( - [Identifier(name="2-butanone", smiles="CCC(C)=O")], - "sauer2014_smarts.json", - "sauer2014_homo.json" -) -``` -The rules that are applied in the determination of the group counts from SMILES are defined by SMARTS. All GC models that are implemented currently are compatible with the SMARTS defined in [`sauer2014_smarts.json`](sauer2014_smarts.json). - -For a more detailed description of parameter handling in `FeOs`, check out the [example notebook](https://github.com/feos-org/feos/blob/binary_interaction_parameter_files/examples/pcsaft_working_with_parameters.ipynb). - -### Parameters for the homosegmented GC method - -|file|file binary|description|publication(s)| -|-|-|-|:-:| -[`sauer2014_homo.json`](sauer2014_homo.json) | | group parameters for homosegmented PC-SAFT | [🔗](https://doi.org/10.1021/ie502203w) | -[`loetgeringlin2015_homo.json`](loetgeringlin2015_homo.json) | | Sauer et al. plus viscosity parameter | [🔗](https://doi.org/10.1021/acs.iecr.5b01698) -[`rehner2023_homo.json`](rehner2023_homo.json) | [`rehner2023_homo_binary.json`](rehner2023_homo_binary.json) | Sauer et al. plus induced association | [🔗](https://doi.org/10.1007/s10765-023-03290-3) | - -### Parameters for the heterosegmented GC method (gc-PC-SAFT) - -|file|file binary|description|publication(s)| -|-|-|-|:-:| -[`sauer2014_hetero.json`](sauer2014_hetero.json) | | group parameters for gc-PC-SAFT | [🔗](https://doi.org/10.1021/ie502203w) | -[`rehner2023_hetero.json`](rehner2023_hetero.json) | [`rehner2023_hetero_binary.json`](rehner2023_hetero_binary.json) | Sauer et al. plus induced association | [🔗](https://doi.org/10.1007/s10765-023-03290-3) | diff --git a/parameters_old/pcsaft/eller2022.json b/parameters_old/pcsaft/eller2022.json deleted file mode 100644 index 9a6a72a55..000000000 --- a/parameters_old/pcsaft/eller2022.json +++ /dev/null @@ -1,18 +0,0 @@ -[ - { - "identifier": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "molecular hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "m": 1.0, - "sigma": 3.002, - "epsilon_k": 51.343 - }, - "molarweight": 2.016 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/esper2023.json b/parameters_old/pcsaft/esper2023.json deleted file mode 100644 index 336980b41..000000000 --- a/parameters_old/pcsaft/esper2023.json +++ /dev/null @@ -1,30314 +0,0 @@ -[ - { - "identifier": { - "cas": "111512-60-8", - "name": "(z)-1-chloro-2,3,3,3-tetrafluoropropene", - "iupac_name": "(z)-1-chloro-2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C(=C\\Cl)C(F)(F)F", - "inchi": "InChI=1S/C3HClF4/c4-1-2(5)3(6,7)8/h1H/b2-1-" - }, - "molarweight": 147.97, - "model_record": { - "m": 3.57688, - "sigma": 3.2949, - "epsilon_k": 185.33693 - } - }, - { - "identifier": { - "cas": "2696-92-6", - "name": "nitrosylchloride", - "iupac_name": "nitrosyl chloride", - "smiles": "O=NCl", - "inchi": "InChI=1S/ClNO/c1-2-3" - }, - "molarweight": 64.967, - "model_record": { - "m": 2.17312, - "sigma": 3.03043, - "epsilon_k": 228.82851, - "mu": 1.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "583-60-8", - "name": "2-methylcyclohexanone", - "iupac_name": "2-methylcyclohexan-1-one", - "smiles": "CC1CCCCC1=O", - "inchi": "InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3" - }, - "molarweight": 112.089, - "model_record": { - "m": 3.18533, - "sigma": 3.75132, - "epsilon_k": 303.61665, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "307-70-0", - "name": "1,1,11-trihydroperfluoro-1-undecanol", - "iupac_name": "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecan-1-ol", - "smiles": "OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F", - "inchi": "InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2" - }, - "molarweight": 531.994, - "model_record": { - "m": 6.5728, - "sigma": 3.90905, - "epsilon_k": 226.28682, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3847.71083, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "632-22-4", - "name": "1,1,3,3-tetramethyl urea", - "iupac_name": "1,1,3,3-tetramethylurea", - "smiles": "CN(C)C(=O)N(C)C", - "inchi": "InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3" - }, - "molarweight": 116.095, - "model_record": { - "m": 4.08678, - "sigma": 3.43195, - "epsilon_k": 274.05667, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "molarweight": 147.914, - "model_record": { - "m": 2.1497, - "sigma": 3.50014, - "epsilon_k": 185.06937 - } - }, - { - "identifier": { - "cas": "7440-63-3", - "name": "xenon", - "iupac_name": "xenon", - "smiles": "[Xe]", - "inchi": "InChI=1S/Xe" - }, - "molarweight": 131.904, - "model_record": { - "m": 1.0, - "sigma": 3.92664, - "epsilon_k": 227.69922 - } - }, - { - "identifier": { - "cas": "100-53-8", - "name": "benzenemethanethiol ", - "iupac_name": "phenylmethanethiol", - "smiles": "SCc1ccccc1", - "inchi": "InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "molarweight": 124.035, - "model_record": { - "m": 3.63644, - "sigma": 3.53107, - "epsilon_k": 223.56689, - "kappa_ab": 0.65233, - "epsilon_k_ab": 2046.30878, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1560-93-6", - "name": "2-methylpentadecane", - "iupac_name": "2-methylpentadecane", - "smiles": "CCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C16H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h16H,4-15H2,1-3H3" - }, - "molarweight": 226.266, - "model_record": { - "m": 6.38597, - "sigma": 3.99475, - "epsilon_k": 257.19315 - } - }, - { - "identifier": { - "cas": "2550-26-7", - "name": "4-phenyl-2-butanone", - "iupac_name": "4-phenylbutan-2-one", - "smiles": "CC(=O)CCc1ccccc1", - "inchi": "InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3" - }, - "molarweight": 148.089, - "model_record": { - "m": 4.75545, - "sigma": 3.53464, - "epsilon_k": 283.58379, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "591-68-4", - "name": "butyl valerate", - "iupac_name": "butyl pentanoate", - "smiles": "CCCCOC(=O)CCCC", - "inchi": "InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 158.131, - "model_record": { - "m": 4.78442, - "sigma": 3.60838, - "epsilon_k": 251.73502, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "54964-85-1", - "name": "2,6-dimethyl-3-octyldecahydronaphthalene", - "iupac_name": "2,6-dimethyl-3-octyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "CCCCCCCCC1CC2CC(C)CCC2CC1C", - "inchi": "InChI=1S/C20H38/c1-4-5-6-7-8-9-10-18-15-20-13-16(2)11-12-19(20)14-17(18)3/h16-20H,4-15H2,1-3H3" - }, - "molarweight": 278.297, - "model_record": { - "m": 6.2911, - "sigma": 4.17871, - "epsilon_k": 291.22064 - } - }, - { - "identifier": { - "cas": "78-75-1", - "name": "1,2-dibromopropane", - "iupac_name": "1,2-dibromopropane", - "smiles": "CC(Br)CBr", - "inchi": "InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "molarweight": 199.884, - "model_record": { - "m": 2.7684, - "sigma": 3.72247, - "epsilon_k": 313.7478, - "mu": 1.39 - } - }, - { - "identifier": { - "cas": "98-88-4", - "name": "benzoylchloride", - "iupac_name": "benzoyl chloride", - "smiles": "O=C(Cl)c1ccccc1", - "inchi": "InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 140.003, - "model_record": { - "m": 3.27367, - "sigma": 3.68617, - "epsilon_k": 315.31815, - "mu": 3.33, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "144-19-4", - "name": "2,2,4-trimethyl-1,3-pentanediol", - "iupac_name": "2,2,4-trimethylpentane-1,3-diol", - "smiles": "CC(C)C(O)C(C)(C)CO", - "inchi": "InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3" - }, - "molarweight": 146.131, - "model_record": { - "m": 2.5907, - "sigma": 4.5, - "epsilon_k": 368.92117, - "kappa_ab": 0.00042, - "epsilon_k_ab": 2879.82766, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "13389-42-9", - "name": "trans-2-octene", - "iupac_name": "(e)-oct-2-ene", - "smiles": "C/C=C/CCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.55856, - "sigma": 3.87157, - "epsilon_k": 252.60601 - } - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "molarweight": 86.11, - "model_record": { - "m": 2.94944, - "sigma": 3.84419, - "epsilon_k": 234.82948 - } - }, - { - "identifier": { - "cas": "7637-07-2", - "name": "boron trifluoride", - "iupac_name": "trifluoroborane", - "smiles": "FB(F)F", - "inchi": "InChI=1S/BF3/c2-1(3)4" - }, - "molarweight": 68.005, - "model_record": { - "m": 4.04623, - "sigma": 2.3242, - "epsilon_k": 108.4612 - } - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "molarweight": 282.329, - "model_record": { - "m": 8.46943, - "sigma": 3.9001, - "epsilon_k": 250.82494 - } - }, - { - "identifier": { - "cas": "100-63-0", - "name": "phenylhydrazine", - "iupac_name": "phenylhydrazine", - "smiles": "NNc1ccccc1", - "inchi": "InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2" - }, - "molarweight": 108.069, - "model_record": { - "m": 4.19131, - "sigma": 3.25211, - "epsilon_k": 280.19172, - "kappa_ab": 0.9, - "epsilon_k_ab": 416.68408, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "7719-12-2", - "name": "phosphorous trichloride", - "iupac_name": "trichlorophosphane", - "smiles": "ClP(Cl)Cl", - "inchi": "InChI=1S/Cl3P/c1-4(2)3" - }, - "molarweight": 135.88, - "model_record": { - "m": 1.76296, - "sigma": 4.04568, - "epsilon_k": 346.56735, - "mu": 0.78 - } - }, - { - "identifier": { - "cas": "119-61-9", - "name": "benzophenone", - "iupac_name": "diphenylmethanone", - "smiles": "O=C(c1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 182.073, - "model_record": { - "m": 4.58931, - "sigma": 3.72895, - "epsilon_k": 327.52235, - "mu": 2.98, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "molarweight": 93.058, - "model_record": { - "m": 2.94495, - "sigma": 3.57681, - "epsilon_k": 302.44626, - "mu": 2.4, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "107-07-3", - "name": "2-chloroethanol", - "iupac_name": "2-chloroethanol", - "smiles": "OCCCl", - "inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2" - }, - "molarweight": 80.003, - "model_record": { - "m": 3.90886, - "sigma": 2.84616, - "epsilon_k": 261.42844, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2105.29294, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "molarweight": 52.012, - "model_record": { - "m": 2.45035, - "sigma": 2.80959, - "epsilon_k": 162.36264, - "mu": 1.978 - } - }, - { - "identifier": { - "cas": "123-02-4", - "name": "1-phenyltridecane", - "iupac_name": "tridecylbenzene", - "smiles": "CCCCCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3" - }, - "molarweight": 260.25, - "model_record": { - "m": 7.27148, - "sigma": 3.90939, - "epsilon_k": 269.37727 - } - }, - { - "identifier": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "molarweight": 90.068, - "model_record": { - "m": 3.16848, - "sigma": 3.48257, - "epsilon_k": 278.45358, - "kappa_ab": 0.02784, - "epsilon_k_ab": 1965.5371, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "4553-62-2", - "name": "methylglutaronitrile", - "iupac_name": "2-methylpentanedinitrile", - "smiles": "CC(C#N)CCC#N", - "inchi": "InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3" - }, - "molarweight": 108.069, - "model_record": { - "m": 3.26133, - "sigma": 3.71165, - "epsilon_k": 380.39966, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "molarweight": 90.068, - "model_record": { - "m": 4.58099, - "sigma": 3.04974, - "epsilon_k": 209.35432, - "kappa_ab": 0.53446, - "epsilon_k_ab": 836.72417, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "molarweight": 147.907, - "model_record": { - "m": 2.64655, - "sigma": 3.84957, - "epsilon_k": 254.56518, - "mu": 1.91 - } - }, - { - "identifier": { - "cas": "50-00-0", - "name": "formaldehyde", - "iupac_name": "formaldehyde", - "smiles": "C=O", - "inchi": "InChI=1S/CH2O/c1-2/h1H2" - }, - "molarweight": 30.011, - "model_record": { - "m": 2.54645, - "sigma": 2.6376, - "epsilon_k": 168.70429, - "mu": 2.33, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "19269-28-4", - "name": "3-methylhexanal", - "iupac_name": "3-methylhexanal", - "smiles": "CCCC(C)CC=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 114.104, - "model_record": { - "m": 3.80538, - "sigma": 3.66713, - "epsilon_k": 258.96667, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "molarweight": 72.094, - "model_record": { - "m": 2.5173, - "sigma": 3.84468, - "epsilon_k": 233.33054 - } - }, - { - "identifier": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "molarweight": 87.068, - "model_record": { - "m": 3.27936, - "sigma": 3.30723, - "epsilon_k": 280.61115, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1849.45327, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "25117-27-5", - "name": "4-methylnonadecane", - "iupac_name": "4-methylnonadecane", - "smiles": "CCCCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-20(3)18-5-2/h20H,4-19H2,1-3H3" - }, - "molarweight": 282.329, - "model_record": { - "m": 7.44756, - "sigma": 4.073, - "epsilon_k": 261.94961 - } - }, - { - "identifier": { - "cas": "10034-85-2", - "name": "hydrogen iodide", - "iupac_name": "iodane", - "smiles": "I", - "inchi": "InChI=1S/HI/h1H" - }, - "molarweight": 127.912, - "model_record": { - "m": 1.35868, - "sigma": 3.54034, - "epsilon_k": 285.758 - } - }, - { - "identifier": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "molarweight": 151.941, - "model_record": { - "m": 2.93973, - "sigma": 3.49608, - "epsilon_k": 215.55589, - "mu": 1.356 - } - }, - { - "identifier": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "molarweight": 60.069, - "model_record": { - "m": 3.97041, - "sigma": 2.82526, - "epsilon_k": 251.77698, - "kappa_ab": 0.00021, - "epsilon_k_ab": 1044.99964, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "6422-86-2", - "name": "bis(2-ethylhexyl) terephthalate", - "iupac_name": "bis(2-ethylhexyl) benzene-1,4-dicarboxylate", - "smiles": "CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1", - "inchi": "InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3" - }, - "molarweight": 390.277, - "model_record": { - "m": 10.2806, - "sigma": 3.8071, - "epsilon_k": 260.80458, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "molarweight": 144.115, - "model_record": { - "m": 4.84994, - "sigma": 3.57684, - "epsilon_k": 238.80222, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "109-43-3", - "name": "decanedioic acid dibutyl ester", - "iupac_name": "dibutyl decanedioate", - "smiles": "CCCCOC(=O)CCCCCCCCC(=O)OCCCC", - "inchi": "InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3" - }, - "molarweight": 314.246, - "model_record": { - "m": 10.04887, - "sigma": 3.58869, - "epsilon_k": 240.12472, - "mu": 2.48, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "123-63-7", - "name": "2,4,6-trimethyl-1,3,5-trioxane", - "iupac_name": "2,4,6-trimethyl-1,3,5-trioxane", - "smiles": "CC1OC(C)OC(C)O1", - "inchi": "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3" - }, - "molarweight": 132.079, - "model_record": { - "m": 4.51777, - "sigma": 3.37396, - "epsilon_k": 226.05313, - "mu": 1.43, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "112-24-3", - "name": "triethylenetetramine", - "iupac_name": "n'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine", - "smiles": "NCCNCCNCCN", - "inchi": "InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2" - }, - "molarweight": 146.153, - "model_record": { - "m": 2.63932, - "sigma": 4.5, - "epsilon_k": 385.92002, - "kappa_ab": 0.00441, - "epsilon_k_ab": 1443.05933, - "na": 4.0, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "110-59-8", - "name": "pentanenitrile", - "iupac_name": "pentanenitrile", - "smiles": "CCCCC#N", - "inchi": "InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3" - }, - "molarweight": 83.073, - "model_record": { - "m": 3.06141, - "sigma": 3.60744, - "epsilon_k": 268.05876, - "mu": 4.12, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "122-79-2", - "name": "acetic acid phenyl ester", - "iupac_name": "phenyl acetate", - "smiles": "CC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3" - }, - "molarweight": 136.052, - "model_record": { - "m": 4.26697, - "sigma": 3.45013, - "epsilon_k": 279.33368, - "mu": 1.72, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "4551-51-3", - "name": "cis-octahydro-1h-indene", - "iupac_name": "(3as,7ar)-2,3,3a,4,5,6,7,7a-octahydro-1h-indene", - "smiles": "C1CC[C@H]2CCC[C@H]2C1", - "inchi": "InChI=1/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9+" - }, - "molarweight": 124.125, - "model_record": { - "m": 2.9803, - "sigma": 4.02794, - "epsilon_k": 313.00964 - } - }, - { - "identifier": { - "cas": "513-48-4", - "name": "2-iodobutane", - "iupac_name": "2-iodobutane", - "smiles": "CCC(C)I", - "inchi": "InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "molarweight": 183.975, - "model_record": { - "m": 3.07689, - "sigma": 3.69295, - "epsilon_k": 276.16685 - } - }, - { - "identifier": { - "cas": "1656-48-0", - "name": "3,3'-oxybispropionitrile", - "iupac_name": "3-(2-cyanoethoxy)propanenitrile", - "smiles": "N#CCCOCCC#N", - "inchi": "InChI=1S/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2" - }, - "molarweight": 124.064, - "model_record": { - "m": 3.57559, - "sigma": 3.67428, - "epsilon_k": 400.23429, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "628-90-0", - "name": "dimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxy)methane", - "smiles": "COCOCOC", - "inchi": "InChI=1S/C4H10O3/c1-5-3-7-4-6-2/h3-4H2,1-2H3" - }, - "molarweight": 106.063, - "model_record": { - "m": 3.40202, - "sigma": 3.48091, - "epsilon_k": 252.9819, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "124-70-9", - "name": "methyl vinyl dichlorosilane", - "iupac_name": "dichloro-ethenyl-methylsilane", - "smiles": "C=C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3" - }, - "molarweight": 139.962, - "model_record": { - "m": 2.89579, - "sigma": 3.88105, - "epsilon_k": 260.14092, - "mu": 2.29 - } - }, - { - "identifier": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 3.83482, - "sigma": 3.55787, - "epsilon_k": 227.38386, - "mu": 1.92, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "624-89-5", - "name": "ethyl methyl sulfide", - "iupac_name": "methylsulfanylethane", - "smiles": "CCSC", - "inchi": "InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3" - }, - "molarweight": 76.035, - "model_record": { - "m": 2.5505, - "sigma": 3.58655, - "epsilon_k": 268.23242, - "mu": 1.56, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "555-10-2", - "name": "3-methylene-6-(1-methylethyl)-cyclohexene", - "iupac_name": "3-methylidene-6-propan-2-ylcyclohexene", - "smiles": "C=C1C=CC(C(C)C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.61236, - "sigma": 3.94385, - "epsilon_k": 284.33361 - } - }, - { - "identifier": { - "cas": "611-14-3", - "name": "1-ethyl-2-methylbenzene", - "iupac_name": "1-ethyl-2-methylbenzene", - "smiles": "CCc1ccccc1C", - "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" - }, - "molarweight": 120.094, - "model_record": { - "m": 3.25838, - "sigma": 3.86527, - "epsilon_k": 297.33274 - } - }, - { - "identifier": { - "cas": "97-85-8", - "name": "isobutyl isobutyrate", - "iupac_name": "2-methylpropyl 2-methylpropanoate", - "smiles": "CC(C)COC(=O)C(C)C", - "inchi": "InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3" - }, - "molarweight": 144.115, - "model_record": { - "m": 4.53016, - "sigma": 3.66733, - "epsilon_k": 234.94499, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "141-28-6", - "name": "diethyl adipate", - "iupac_name": "diethyl hexanedioate", - "smiles": "CCOC(=O)CCCCC(=O)OCC", - "inchi": "InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3" - }, - "molarweight": 202.121, - "model_record": { - "m": 6.73131, - "sigma": 3.45012, - "epsilon_k": 242.32437, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "molarweight": 58.078, - "model_record": { - "m": 2.31121, - "sigma": 3.71557, - "epsilon_k": 224.06583 - } - }, - { - "identifier": { - "cas": "102687-65-0", - "name": "trans-1-chloro-3,3,3-trifluoro-1-propene (r1233zd-e)", - "iupac_name": "(e)-1-chloro-3,3,3-trifluoroprop-1-ene", - "smiles": "FC(F)(F)/C=C/Cl", - "inchi": "InChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "molarweight": 129.98, - "model_record": { - "m": 3.02583, - "sigma": 3.42851, - "epsilon_k": 205.95317 - } - }, - { - "identifier": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "molarweight": 338.391, - "model_record": { - "m": 9.99477, - "sigma": 3.91337, - "epsilon_k": 251.29758 - } - }, - { - "identifier": { - "cas": "7789-21-1", - "name": "fluorosulfonic acid", - "iupac_name": "sulfurofluoridic acid", - "smiles": "O=S(=O)(O)F", - "inchi": "InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)" - }, - "molarweight": 99.963, - "model_record": { - "m": 3.88272, - "sigma": 2.74289, - "epsilon_k": 290.42839, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "molarweight": 55.042, - "model_record": { - "m": 2.81226, - "sigma": 3.25093, - "epsilon_k": 227.25383, - "mu": 4.02, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1185-33-7", - "name": "2,2-dimethyl-1-butanol", - "iupac_name": "2,2-dimethylbutan-1-ol", - "smiles": "CCC(C)(C)CO", - "inchi": "InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 2.22256, - "sigma": 4.29006, - "epsilon_k": 287.6308, - "kappa_ab": 0.00622, - "epsilon_k_ab": 2731.2426, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "109-49-9", - "name": "1-hexen-5-one", - "iupac_name": "hex-5-en-2-one", - "smiles": "C=CCCC(C)=O", - "inchi": "InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3" - }, - "molarweight": 98.073, - "model_record": { - "m": 3.79292, - "sigma": 3.44147, - "epsilon_k": 253.38943, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "375-85-9", - "name": "perfluoroheptanoic acid", - "iupac_name": "2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid", - "smiles": "O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)" - }, - "molarweight": 363.977, - "model_record": { - "m": 4.60229, - "sigma": 3.93777, - "epsilon_k": 214.05144, - "kappa_ab": 0.00484, - "epsilon_k_ab": 3376.16162, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "625-80-9", - "name": "diisopropylsulfide", - "iupac_name": "2-propan-2-ylsulfanylpropane", - "smiles": "CC(C)SC(C)C", - "inchi": "InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "molarweight": 118.082, - "model_record": { - "m": 3.34662, - "sigma": 3.85936, - "epsilon_k": 259.04633, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7226-23-5", - "name": "n,n'-dimethylpropylene urea ", - "iupac_name": "1,3-dimethyl-1,3-diazinan-2-one", - "smiles": "CN1CCCN(C)C1=O", - "inchi": "InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3" - }, - "molarweight": 128.095, - "model_record": { - "m": 2.94142, - "sigma": 3.91027, - "epsilon_k": 382.18464, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "141-97-9", - "name": "ethyl acetoacetate", - "iupac_name": "ethyl 3-oxobutanoate", - "smiles": "CCOC(=O)CC(C)=O", - "inchi": "InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3" - }, - "molarweight": 130.063, - "model_record": { - "m": 4.43685, - "sigma": 3.39354, - "epsilon_k": 260.76975, - "mu": 2.92897, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "102155-32-8", - "name": "2,4,6-trimethylheptadecane", - "smiles": "CCCCCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C20H42/c1-6-7-8-9-10-11-12-13-14-15-19(4)17-20(5)16-18(2)3/h18-20H,6-17H2,1-5H3" - }, - "molarweight": 282.329, - "model_record": { - "m": 10.51738, - "sigma": 3.58534, - "epsilon_k": 217.93139 - } - }, - { - "identifier": { - "cas": "98-56-6", - "name": "p-chlorobenzotrifluoride", - "iupac_name": "1-chloro-4-(trifluoromethyl)benzene", - "smiles": "FC(F)(F)c1ccc(Cl)cc1", - "inchi": "InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H" - }, - "molarweight": 179.995, - "model_record": { - "m": 3.66254, - "sigma": 3.67718, - "epsilon_k": 260.99311, - "mu": 1.58 - } - }, - { - "identifier": { - "cas": "922-62-3", - "name": "cis-3-methyl-2-pentene", - "iupac_name": "(z)-3-methylpent-2-ene", - "smiles": "C/C=C(/C)CC", - "inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4-" - }, - "molarweight": 84.094, - "model_record": { - "m": 3.0324, - "sigma": 3.70666, - "epsilon_k": 241.14549 - } - }, - { - "identifier": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "molarweight": 102.068, - "model_record": { - "m": 5.82828, - "sigma": 2.92283, - "epsilon_k": 237.14427, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3111.01504, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 3.35724, - "sigma": 3.67453, - "epsilon_k": 208.73059, - "kappa_ab": 0.04729, - "epsilon_k_ab": 2501.08734, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "molarweight": 113.993, - "model_record": { - "m": 3.95471, - "sigma": 2.87338, - "epsilon_k": 157.6198, - "kappa_ab": 0.9, - "epsilon_k_ab": 1517.81774, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "565-61-7", - "name": "3-methyl-2-pentanone", - "iupac_name": "3-methylpentan-2-one", - "smiles": "CCC(C)C(C)=O", - "inchi": "InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3" - }, - "molarweight": 100.089, - "model_record": { - "m": 3.3527, - "sigma": 3.65503, - "epsilon_k": 261.31187, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "632-15-5", - "name": "3,4-dimethyl thiophene", - "iupac_name": "3,4-dimethylthiophene", - "smiles": "Cc1cscc1C", - "inchi": "InChI=1S/C6H8S/c1-5-3-7-4-6(5)2/h3-4H,1-2H3" - }, - "molarweight": 112.035, - "model_record": { - "m": 3.02632, - "sigma": 3.69913, - "epsilon_k": 302.17656, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "molarweight": 118.063, - "model_record": { - "m": 1.71365, - "sigma": 4.5, - "epsilon_k": 254.5576, - "kappa_ab": 0.02819, - "epsilon_k_ab": 2156.91415, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "molarweight": 162.004, - "model_record": { - "m": 2.67499, - "sigma": 3.9921, - "epsilon_k": 335.82106 - } - }, - { - "identifier": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "molarweight": 145.969, - "model_record": { - "m": 2.84364, - "sigma": 3.81659, - "epsilon_k": 334.19319, - "mu": 2.5 - } - }, - { - "identifier": { - "cas": "771-61-9", - "name": "2,3,4,5,6-pentafluorophenol", - "iupac_name": "2,3,4,5,6-pentafluorophenol", - "smiles": "Oc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" - }, - "molarweight": 183.995, - "model_record": { - "m": 4.62079, - "sigma": 3.15744, - "epsilon_k": 240.40086, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2445.77688, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "540-18-1", - "name": "amyl butyrate", - "iupac_name": "pentyl butanoate", - "smiles": "CCCCCOC(=O)CCC", - "inchi": "InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3" - }, - "molarweight": 158.131, - "model_record": { - "m": 4.43868, - "sigma": 3.84028, - "epsilon_k": 257.93654, - "mu": 1.76, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "865-52-1", - "name": "tetramethylgermane", - "iupac_name": "tetramethylgermane", - "smiles": "C[Ge](C)(C)C", - "inchi": "InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3" - }, - "molarweight": 134.015, - "model_record": { - "m": 2.55346, - "sigma": 4.07514, - "epsilon_k": 241.61578 - } - }, - { - "identifier": { - "cas": "464-06-2", - "name": "2,2,3-trimethylbutane", - "iupac_name": "2,2,3-trimethylbutane", - "smiles": "CC(C)C(C)(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3" - }, - "molarweight": 100.125, - "model_record": { - "m": 2.72014, - "sigma": 4.10186, - "epsilon_k": 259.51231 - } - }, - { - "identifier": { - "cas": "623-96-1", - "name": "di-n-propylcarbonate", - "iupac_name": "dipropyl carbonate", - "smiles": "CCCOC(=O)OCCC", - "inchi": "InChI=1S/C7H14O3/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 146.094, - "model_record": { - "m": 4.9132, - "sigma": 3.48018, - "epsilon_k": 238.18706, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "124-63-0", - "name": "methanesulfonylchloride", - "iupac_name": "methanesulfonyl chloride", - "smiles": "CS(=O)(=O)Cl", - "inchi": "InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3" - }, - "molarweight": 113.954, - "model_record": { - "m": 2.96998, - "sigma": 3.32335, - "epsilon_k": 308.65059, - "mu": 3.15, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "molarweight": 60.021, - "model_record": { - "m": 3.17506, - "sigma": 2.92376, - "epsilon_k": 287.87919, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "molarweight": 131.93, - "model_record": { - "m": 2.42961, - "sigma": 3.77237, - "epsilon_k": 278.80359, - "mu": 1.78 - } - }, - { - "identifier": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "molarweight": 76.052, - "model_record": { - "m": 3.44528, - "sigma": 3.15264, - "epsilon_k": 230.74612, - "kappa_ab": 0.22091, - "epsilon_k_ab": 1151.53518, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "615-98-5", - "name": "dipropyl oxalate", - "iupac_name": "dipropyl oxalate", - "smiles": "CCCOC(=O)C(=O)OCCC", - "inchi": "InChI=1S/C8H14O4/c1-3-5-11-7(9)8(10)12-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 174.089, - "model_record": { - "m": 5.75718, - "sigma": 3.43458, - "epsilon_k": 244.98941, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.69217, - "sigma": 3.89617, - "epsilon_k": 281.4887 - } - }, - { - "identifier": { - "cas": "4390-04-9", - "name": "2,2,4,4,6,8,8-heptamethylnonane", - "iupac_name": "2,2,4,4,6,8,8-heptamethylnonane", - "smiles": "CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3" - }, - "molarweight": 226.266, - "model_record": { - "m": 5.44878, - "sigma": 4.19257, - "epsilon_k": 255.98331 - } - }, - { - "identifier": { - "cas": "79-22-1", - "name": "methyl chloroformate", - "iupac_name": "methyl carbonochloridate", - "smiles": "COC(=O)Cl", - "inchi": "InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3" - }, - "molarweight": 93.982, - "model_record": { - "m": 2.69619, - "sigma": 3.34083, - "epsilon_k": 260.80841, - "mu": 2.22, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "646-20-8", - "name": "1,5-dicyanopentane", - "iupac_name": "heptanedinitrile", - "smiles": "N#CCCCCCC#N", - "inchi": "InChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H2" - }, - "molarweight": 122.084, - "model_record": { - "m": 3.67072, - "sigma": 3.74134, - "epsilon_k": 386.32722, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "101-83-7", - "name": "dicyclohexylamine", - "iupac_name": "n-cyclohexylcyclohexanamine", - "smiles": "C1CCC(NC2CCCCC2)CC1", - "inchi": "InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2" - }, - "molarweight": 181.183, - "model_record": { - "m": 4.24675, - "sigma": 4.0479, - "epsilon_k": 305.06556, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-68-2", - "name": "heptylamine", - "iupac_name": "heptan-1-amine", - "smiles": "CCCCCCCN", - "inchi": "InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3" - }, - "molarweight": 115.136, - "model_record": { - "m": 2.34117, - "sigma": 4.5, - "epsilon_k": 285.93613, - "kappa_ab": 0.02114, - "epsilon_k_ab": 2365.06838, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-18-9", - "name": "n,n,n',n'-tetramethyl ethylenediamine", - "iupac_name": "n,n,n',n'-tetramethylethane-1,2-diamine", - "smiles": "CN(C)CCN(C)C", - "inchi": "InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3" - }, - "molarweight": 116.131, - "model_record": { - "m": 3.74063, - "sigma": 3.74899, - "epsilon_k": 243.83498, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "molarweight": 127.962, - "model_record": { - "m": 2.95264, - "sigma": 3.75222, - "epsilon_k": 242.40029, - "mu": 1.89 - } - }, - { - "identifier": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "molarweight": 58.042, - "model_record": { - "m": 2.75718, - "sigma": 3.22309, - "epsilon_k": 233.44613, - "kappa_ab": 0.04087, - "epsilon_k_ab": 2121.43119, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "molarweight": 32.026, - "model_record": { - "m": 2.25965, - "sigma": 2.83016, - "epsilon_k": 183.58634, - "kappa_ab": 0.08716, - "epsilon_k_ab": 2465.13545, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "10102-43-9", - "name": "nitrogen oxide", - "iupac_name": "nitric oxide", - "smiles": "[N]=O", - "inchi": "InChI=1S/NO/c1-2" - }, - "molarweight": 29.998, - "model_record": { - "m": 4.12115, - "sigma": 1.9, - "epsilon_k": 77.07314, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "503-74-2", - "name": "3-methylbutanoic acid", - "iupac_name": "3-methylbutanoic acid", - "smiles": "CC(C)CC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)" - }, - "molarweight": 102.068, - "model_record": { - "m": 3.40514, - "sigma": 3.57451, - "epsilon_k": 269.14134, - "kappa_ab": 0.03478, - "epsilon_k_ab": 2218.45336, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "10025-67-9", - "name": "sulfur monochloride", - "iupac_name": "chlorosulfanyl thiohypochlorite", - "smiles": "ClSSCl", - "inchi": "InChI=1S/Cl2S2/c1-3-4-2" - }, - "molarweight": 133.882, - "model_record": { - "m": 1.41717, - "sigma": 4.33486, - "epsilon_k": 476.16102, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "molarweight": 95.953, - "model_record": { - "m": 2.21223, - "sigma": 3.55968, - "epsilon_k": 285.87367, - "mu": 1.9 - } - }, - { - "identifier": { - "cas": "7731-28-4", - "name": "cis-4-methylcyclohexanol", - "iupac_name": "4-methylcyclohexan-1-ol", - "smiles": "C[C@H]1CC[C@@H](O)CC1", - "inchi": "InChI=1/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7+" - }, - "molarweight": 114.104, - "model_record": { - "m": 5.16779, - "sigma": 3.21534, - "epsilon_k": 238.41262, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3553.29359, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2980-69-0", - "name": "4-methylundecane", - "iupac_name": "4-methylundecane", - "smiles": "CCCCCCCC(C)CCC", - "inchi": "InChI=1S/C12H26/c1-4-6-7-8-9-11-12(3)10-5-2/h12H,4-11H2,1-3H3" - }, - "molarweight": 170.203, - "model_record": { - "m": 5.83049, - "sigma": 3.74242, - "epsilon_k": 235.02865 - } - }, - { - "identifier": { - "cas": "62108-27-4", - "name": "2,4,6-trimethyldecane", - "iupac_name": "2,4,6-trimethyldecane", - "smiles": "CCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C13H28/c1-6-7-8-12(4)10-13(5)9-11(2)3/h11-13H,6-10H2,1-5H3" - }, - "molarweight": 184.219, - "model_record": { - "m": 4.89146, - "sigma": 4.0747, - "epsilon_k": 251.58447 - } - }, - { - "identifier": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "molarweight": 84.019, - "model_record": { - "m": 2.47417, - "sigma": 3.28921, - "epsilon_k": 161.9028, - "mu": 2.32 - } - }, - { - "identifier": { - "cas": "111-85-3", - "name": "1-chlorooctane", - "iupac_name": "1-chlorooctane", - "smiles": "CCCCCCCCCl", - "inchi": "InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3" - }, - "molarweight": 148.102, - "model_record": { - "m": 4.33772, - "sigma": 3.76398, - "epsilon_k": 261.5508 - } - }, - { - "identifier": { - "cas": "89-72-5", - "name": "2-sec-butylphenol", - "iupac_name": "2-butan-2-ylphenol", - "smiles": "CCC(C)c1ccccc1O", - "inchi": "InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3" - }, - "molarweight": 150.104, - "model_record": { - "m": 4.64573, - "sigma": 3.59491, - "epsilon_k": 281.24146, - "kappa_ab": 0.00026, - "epsilon_k_ab": 2646.39987, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "70-29-1", - "name": "diethyl sulfoxide", - "iupac_name": "1-ethylsulfinylethane", - "smiles": "CCS(=O)CC", - "inchi": "InChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3" - }, - "molarweight": 106.045, - "model_record": { - "m": 4.08268, - "sigma": 3.30392, - "epsilon_k": 300.24224, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "molarweight": 61.992, - "model_record": { - "m": 1.93804, - "sigma": 3.46909, - "epsilon_k": 239.94582, - "mu": 1.45 - } - }, - { - "identifier": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "molarweight": 26.016, - "model_record": { - "m": 2.22087, - "sigma": 2.87502, - "epsilon_k": 166.03384 - } - }, - { - "identifier": { - "cas": "123-01-3", - "name": "1-phenyldodecane", - "iupac_name": "dodecylbenzene", - "smiles": "CCCCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3" - }, - "molarweight": 246.235, - "model_record": { - "m": 6.7889, - "sigma": 3.92015, - "epsilon_k": 271.75011 - } - }, - { - "identifier": { - "cas": "14850-23-8", - "name": "trans-4-octene", - "iupac_name": "(e)-oct-4-ene", - "smiles": "CCC/C=C/CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.91463, - "sigma": 3.74717, - "epsilon_k": 238.27112 - } - }, - { - "identifier": { - "cas": "107-01-7", - "name": "(cis/trans)-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "CC=CC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3" - }, - "molarweight": 56.063, - "model_record": { - "m": 2.15183, - "sigma": 3.71234, - "epsilon_k": 236.85896 - } - }, - { - "identifier": { - "cas": "6443-92-1", - "name": "cis-2-heptene", - "iupac_name": "(z)-hept-2-ene", - "smiles": "C/C=C\\CCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3-" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.85867, - "sigma": 3.99816, - "epsilon_k": 267.15696 - } - }, - { - "identifier": { - "cas": "110-96-3", - "name": "diisobutylamine", - "iupac_name": "2-methyl-n-(2-methylpropyl)propan-1-amine", - "smiles": "CC(C)CNCC(C)C", - "inchi": "InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3" - }, - "molarweight": 129.152, - "model_record": { - "m": 2.47901, - "sigma": 4.5, - "epsilon_k": 200.12754, - "kappa_ab": 0.09955, - "epsilon_k_ab": 2578.37722, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "375-22-4", - "name": "heptafluorobutanoic acid", - "iupac_name": "2,2,3,3,4,4,4-heptafluorobutanoic acid", - "smiles": "O=C(O)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)" - }, - "molarweight": 213.986, - "model_record": { - "m": 7.06311, - "sigma": 2.81259, - "epsilon_k": 150.3111, - "kappa_ab": 0.9, - "epsilon_k_ab": 1646.6201, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "127-00-4", - "name": "1-chloro-2-propanol", - "iupac_name": "1-chloropropan-2-ol", - "smiles": "CC(O)CCl", - "inchi": "InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3" - }, - "molarweight": 94.019, - "model_record": { - "m": 1.9525, - "sigma": 3.98147, - "epsilon_k": 361.77237, - "kappa_ab": 0.0011, - "epsilon_k_ab": 2333.1914, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "5891-21-4", - "name": "5-chloro-2-pentanone", - "iupac_name": "5-chloropentan-2-one", - "smiles": "CC(=O)CCCCl", - "inchi": "InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3" - }, - "molarweight": 120.034, - "model_record": { - "m": 2.20639, - "sigma": 4.18919, - "epsilon_k": 389.69357, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "molarweight": 108.016, - "model_record": { - "m": 2.82445, - "sigma": 3.83436, - "epsilon_k": 237.09078, - "mu": 2.08 - } - }, - { - "identifier": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "molarweight": 93.982, - "model_record": { - "m": 3.79691, - "sigma": 2.9282, - "epsilon_k": 295.94818, - "kappa_ab": 0.0189, - "epsilon_k_ab": 1875.45062, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 96.038, - "model_record": { - "m": 2.65595, - "sigma": 3.60968, - "epsilon_k": 276.30649, - "mu": 1.6 - } - }, - { - "identifier": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "molarweight": 96.094, - "model_record": { - "m": 3.61224, - "sigma": 3.61325, - "epsilon_k": 237.62534, - "mu": 0.85 - } - }, - { - "identifier": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "molarweight": 66.047, - "model_record": { - "m": 2.02526, - "sigma": 3.7433, - "epsilon_k": 286.49392 - } - }, - { - "identifier": { - "cas": "103387-11-7", - "name": "2,4,6-trimethyldodecane", - "smiles": "CCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C15H32/c1-6-7-8-9-10-14(4)12-15(5)11-13(2)3/h13-15H,6-12H2,1-5H3" - }, - "molarweight": 212.25, - "model_record": { - "m": 6.65371, - "sigma": 3.82764, - "epsilon_k": 231.54823 - } - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "molarweight": 60.058, - "model_record": { - "m": 3.95902, - "sigma": 2.93004, - "epsilon_k": 198.97045, - "kappa_ab": 0.03508, - "epsilon_k_ab": 1898.4667, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7783-54-2", - "name": "nitrogen trifluoride", - "smiles": "FN(F)F", - "inchi": "InChI=1S/F3N/c1-4(2)3" - }, - "molarweight": 70.998, - "model_record": { - "m": 1.80616, - "sigma": 3.17207, - "epsilon_k": 138.36014, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 92.063, - "model_record": { - "m": 2.78719, - "sigma": 3.72273, - "epsilon_k": 287.51747 - } - }, - { - "identifier": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "molarweight": 114.104, - "model_record": { - "m": 4.23877, - "sigma": 3.53006, - "epsilon_k": 244.01148, - "mu": 2.81, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1560-92-5", - "name": "2-methylhexadecane", - "iupac_name": "2-methylhexadecane", - "smiles": "CCCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C17H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h17H,4-16H2,1-3H3" - }, - "molarweight": 240.282, - "model_record": { - "m": 6.9092, - "sigma": 3.96715, - "epsilon_k": 253.9506 - } - }, - { - "identifier": { - "cas": "597-64-8", - "name": "tetraethylstannane", - "iupac_name": "tetraethylstannane", - "smiles": "[CH2]C.[CH2]C.[CH2]C.[CH2]C.[Sn]", - "inchi": "InChI=1S/4C2H5.Sn/c4*1-2;/h4*1H2,2H3;" - }, - "molarweight": 236.059, - "model_record": { - "m": 3.5163, - "sigma": 4.27023, - "epsilon_k": 292.45305 - } - }, - { - "identifier": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "molarweight": 92.039, - "model_record": { - "m": 2.31373, - "sigma": 3.93067, - "epsilon_k": 261.04115, - "mu": 2.13 - } - }, - { - "identifier": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 108.058, - "model_record": { - "m": 3.43219, - "sigma": 3.51952, - "epsilon_k": 286.44042, - "mu": 1.38, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "molarweight": 138.141, - "model_record": { - "m": 2.85516, - "sigma": 4.24508, - "epsilon_k": 339.05267 - } - }, - { - "identifier": { - "cas": "105-34-0", - "name": "cyanoacetic acid methyl ester", - "iupac_name": "methyl 2-cyanoacetate", - "smiles": "COC(=O)CC#N", - "inchi": "InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3" - }, - "molarweight": 99.032, - "model_record": { - "m": 5.07928, - "sigma": 2.90431, - "epsilon_k": 255.32394, - "mu": 3.75, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "3386-33-2", - "name": "1-chlorooctadecane", - "iupac_name": "1-chlorooctadecane", - "smiles": "CCCCCCCCCCCCCCCCCCCl", - "inchi": "InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3" - }, - "molarweight": 288.258, - "model_record": { - "m": 8.0089, - "sigma": 3.89362, - "epsilon_k": 261.44599 - } - }, - { - "identifier": { - "cas": "6117-98-2", - "name": "2,3-dimethyldodecane", - "iupac_name": "2,3-dimethyldodecane", - "smiles": "CCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C14H30/c1-5-6-7-8-9-10-11-12-14(4)13(2)3/h13-14H,5-12H2,1-4H3" - }, - "molarweight": 198.235, - "model_record": { - "m": 5.30002, - "sigma": 4.06949, - "epsilon_k": 263.54957 - } - }, - { - "identifier": { - "cas": "25117-31-1", - "name": "5-methyltridecane", - "iupac_name": "5-methyltridecane", - "smiles": "CCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C14H30/c1-4-6-8-9-10-11-13-14(3)12-7-5-2/h14H,4-13H2,1-3H3" - }, - "molarweight": 198.235, - "model_record": { - "m": 5.56051, - "sigma": 4.00812, - "epsilon_k": 256.99562 - } - }, - { - "identifier": { - "cas": "140-29-4", - "name": "benzylcyanide", - "iupac_name": "2-phenylacetonitrile", - "smiles": "N#CCc1ccccc1", - "inchi": "InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2" - }, - "molarweight": 117.058, - "model_record": { - "m": 3.36655, - "sigma": 3.66981, - "epsilon_k": 337.56216, - "mu": 3.51, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "353-85-5", - "name": "trifluoroacetonitrile", - "iupac_name": "2,2,2-trifluoroacetonitrile", - "smiles": "N#CC(F)(F)F", - "inchi": "InChI=1S/C2F3N/c3-2(4,5)1-6" - }, - "molarweight": 94.998, - "model_record": { - "m": 3.06734, - "sigma": 3.04113, - "epsilon_k": 144.20538, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "645-69-2", - "name": "dipentyl ester butanedioic acid", - "iupac_name": "dipentyl butanedioate", - "smiles": "CCCCCOC(=O)CCC(=O)OCCCCC", - "inchi": "InChI=1S/C14H26O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 258.183, - "model_record": { - "m": 7.37042, - "sigma": 3.70934, - "epsilon_k": 256.52535, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "molarweight": 92.039, - "model_record": { - "m": 2.82622, - "sigma": 3.64432, - "epsilon_k": 256.90287, - "mu": 2.05 - } - }, - { - "identifier": { - "cas": "1191-95-3", - "name": "cyclobutanone", - "iupac_name": "cyclobutanone", - "smiles": "O=C1CCC1", - "inchi": "InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2" - }, - "molarweight": 70.042, - "model_record": { - "m": 2.59048, - "sigma": 3.40298, - "epsilon_k": 277.32265, - "mu": 2.99, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "131-17-9", - "name": "phthalic acid diallyl ester", - "iupac_name": "bis(prop-2-enyl) benzene-1,2-dicarboxylate", - "smiles": "C=CCOC(=O)c1ccccc1C(=O)OCC=C", - "inchi": "InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2" - }, - "molarweight": 246.089, - "model_record": { - "m": 13.65216, - "sigma": 2.78017, - "epsilon_k": 199.55529, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "105-53-3", - "name": "diethyl malonate", - "iupac_name": "diethyl propanedioate", - "smiles": "CCOC(=O)CC(=O)OCC", - "inchi": "InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3" - }, - "molarweight": 160.074, - "model_record": { - "m": 5.37219, - "sigma": 3.37677, - "epsilon_k": 246.44507, - "mu": 2.54, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "102886-19-1", - "name": "2,4,6-trimethylnonadecane", - "smiles": "CCCCCCCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C22H46/c1-6-7-8-9-10-11-12-13-14-15-16-17-21(4)19-22(5)18-20(2)3/h20-22H,6-19H2,1-5H3" - }, - "molarweight": 310.36, - "model_record": { - "m": 11.37815, - "sigma": 3.60381, - "epsilon_k": 220.06921 - } - }, - { - "identifier": { - "cas": "493-08-3", - "name": "chroman", - "iupac_name": "3,4-dihydro-2h-chromene", - "smiles": "c1ccc2c(c1)CCCO2", - "inchi": "InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6H,3,5,7H2" - }, - "molarweight": 134.073, - "model_record": { - "m": 3.45697, - "sigma": 3.72517, - "epsilon_k": 325.75851, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "molarweight": 30.047, - "model_record": { - "m": 1.60689, - "sigma": 3.51681, - "epsilon_k": 191.45389 - } - }, - { - "identifier": { - "cas": "37112-31-5", - "name": "1,6-anhydro-3,4-dideoxyhex-3-enopyran-2-ulose", - "iupac_name": "(1s,5r)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one", - "smiles": "O=C1C=C[C@H]2CO[C@@H]1O2", - "inchi": "InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1" - }, - "molarweight": 126.032, - "model_record": { - "m": 3.81381, - "sigma": 3.31415, - "epsilon_k": 330.34065, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "103-49-1", - "name": "dibenzylamine", - "iupac_name": "n-benzyl-1-phenylmethanamine", - "smiles": "c1ccc(CNCc2ccccc2)cc1", - "inchi": "InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2" - }, - "molarweight": 197.12, - "model_record": { - "m": 5.95771, - "sigma": 3.59785, - "epsilon_k": 288.65413, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-83-8", - "name": "diisobutyl ketone", - "iupac_name": "2,6-dimethylheptan-4-one", - "smiles": "CC(C)CC(=O)CC(C)C", - "inchi": "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 142.136, - "model_record": { - "m": 4.53851, - "sigma": 3.73538, - "epsilon_k": 244.4656, - "mu": 2.66, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.45243, - "sigma": 3.70913, - "epsilon_k": 235.33454, - "mu": 1.21, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "756-79-6", - "name": "methyl-phosphonic acid dimethyl ester", - "iupac_name": "[methoxy(methyl)phosphoryl]oxymethane", - "smiles": "COP(C)(=O)OC", - "inchi": "InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3" - }, - "molarweight": 124.029, - "model_record": { - "m": 3.8572, - "sigma": 3.37305, - "epsilon_k": 288.31614, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "1502-22-3", - "name": "2-(1-cyclohexen-1-yl)cyclohexanone", - "iupac_name": "2-(cyclohexen-1-yl)cyclohexan-1-one", - "smiles": "O=C1CCCCC1C1=CCCCC1", - "inchi": "InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2" - }, - "molarweight": 178.136, - "model_record": { - "m": 4.48717, - "sigma": 3.8421, - "epsilon_k": 312.82975, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2106-49-2", - "name": "3-chloro-2-fluoro-1-nitrobenzene", - "iupac_name": "1-chloro-2-fluoro-3-nitrobenzene", - "smiles": "O=[N+]([O-])c1cccc(Cl)c1F", - "inchi": "InChI=1S/C6H3ClFNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H" - }, - "molarweight": 174.984, - "model_record": { - "m": 4.93769, - "sigma": 3.2272, - "epsilon_k": 288.90613, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "611-15-4", - "name": "1-methyl-2-vinylbenzene", - "iupac_name": "1-ethenyl-2-methylbenzene", - "smiles": "C=Cc1ccccc1C", - "inchi": "InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3" - }, - "molarweight": 118.078, - "model_record": { - "m": 3.57059, - "sigma": 3.68275, - "epsilon_k": 287.4741 - } - }, - { - "identifier": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "molarweight": 88.089, - "model_record": { - "m": 2.94782, - "sigma": 3.70393, - "epsilon_k": 233.07331, - "mu": 1.36, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "541-05-9", - "name": "hexamethylcyclotrisiloxane", - "iupac_name": "2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3" - }, - "molarweight": 222.056, - "model_record": { - "m": 4.60025, - "sigma": 4.02943, - "epsilon_k": 219.40006, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "75-43-4", - "name": "dichlorofluoromethane [r21]", - "iupac_name": "dichloro(fluoro)methane", - "smiles": "FC(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H" - }, - "molarweight": 101.944, - "model_record": { - "m": 2.37331, - "sigma": 3.35982, - "epsilon_k": 233.61053, - "mu": 1.3 - } - }, - { - "identifier": { - "cas": "262-20-4", - "name": "phenoxathiin", - "iupac_name": "phenoxathiine", - "smiles": "c1ccc2c(c1)Oc1ccccc1S2", - "inchi": "InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H" - }, - "molarweight": 200.03, - "model_record": { - "m": 3.75443, - "sigma": 3.97879, - "epsilon_k": 382.06258, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "693-65-2", - "name": "dipentyl ether", - "iupac_name": "1-pentoxypentane", - "smiles": "CCCCCOCCCCC", - "inchi": "InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 158.167, - "model_record": { - "m": 4.69107, - "sigma": 3.89373, - "epsilon_k": 249.64612, - "mu": 1.2, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "molarweight": 86.073, - "model_record": { - "m": 3.30248, - "sigma": 3.48706, - "epsilon_k": 248.98034, - "mu": 2.7, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "94-60-0", - "name": "dimethyl-1,4-cyclohexanedicarboxylate", - "iupac_name": "dimethyl cyclohexane-1,4-dicarboxylate", - "smiles": "COC(=O)C1CCC(C(=O)OC)CC1", - "inchi": "InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 200.105, - "model_record": { - "m": 3.21305, - "sigma": 4.34672, - "epsilon_k": 375.90064, - "mu": 2.09, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "124-07-2", - "name": "caprylic acid", - "iupac_name": "octanoic acid", - "smiles": "CCCCCCCC(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" - }, - "molarweight": 144.115, - "model_record": { - "m": 4.52532, - "sigma": 3.69205, - "epsilon_k": 270.90527, - "kappa_ab": 0.01011, - "epsilon_k_ab": 2924.31072, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.93798, - "sigma": 3.97827, - "epsilon_k": 303.94822 - } - }, - { - "identifier": { - "cas": "334-48-5", - "name": "capric acid", - "iupac_name": "decanoic acid", - "smiles": "CCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" - }, - "molarweight": 172.146, - "model_record": { - "m": 3.1246, - "sigma": 4.5, - "epsilon_k": 318.86772, - "kappa_ab": 0.00217, - "epsilon_k_ab": 4227.84719, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1732-08-7", - "name": "dimethyl ester heptanedioic acid", - "iupac_name": "dimethyl heptanedioate", - "smiles": "COC(=O)CCCCCC(=O)OC", - "inchi": "InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3" - }, - "molarweight": 188.105, - "model_record": { - "m": 7.283, - "sigma": 3.22232, - "epsilon_k": 226.76325, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "molarweight": 192.136, - "model_record": { - "m": 6.31493, - "sigma": 3.40902, - "epsilon_k": 158.55115, - "kappa_ab": 0.32271, - "epsilon_k_ab": 1827.19417, - "na": 2.0, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "molarweight": 93.058, - "model_record": { - "m": 3.03569, - "sigma": 3.53859, - "epsilon_k": 287.94192, - "mu": 2.04, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "117-84-0", - "name": "phthalic acid dioctyl ester", - "iupac_name": "dioctyl benzene-1,2-dicarboxylate", - "smiles": "CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC", - "inchi": "InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3" - }, - "molarweight": 390.277, - "model_record": { - "m": 11.75906, - "sigma": 3.60576, - "epsilon_k": 242.47041, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "10025-91-9", - "name": "antimony trichloride", - "iupac_name": "trichlorostibane", - "smiles": "[Cl-].[Cl-].[Cl-].[Sb+3]", - "inchi": "InChI=1S/3ClH.Sb/h3*1H;/q;;;+3/p-3" - }, - "molarweight": 225.81, - "model_record": { - "m": 2.65735, - "sigma": 3.54994, - "epsilon_k": 368.35714, - "mu": 3.93 - } - }, - { - "identifier": { - "cas": "111-40-0", - "name": "diethylenetriamine", - "iupac_name": "n'-(2-aminoethyl)ethane-1,2-diamine", - "smiles": "NCCNCCN", - "inchi": "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" - }, - "molarweight": 103.111, - "model_record": { - "m": 3.74055, - "sigma": 3.48881, - "epsilon_k": 295.03128, - "kappa_ab": 0.02545, - "epsilon_k_ab": 767.85184, - "na": 3.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "4536-23-6", - "name": "2-methylhexanoic acid", - "iupac_name": "2-methylhexanoic acid", - "smiles": "CCCCC(C)C(=O)O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)" - }, - "molarweight": 130.099, - "model_record": { - "m": 5.73449, - "sigma": 2.85689, - "epsilon_k": 96.27318, - "kappa_ab": 0.53373, - "epsilon_k_ab": 4687.23659, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "molarweight": 89.048, - "model_record": { - "m": 3.02853, - "sigma": 3.43362, - "epsilon_k": 269.74726, - "mu": 3.66, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "589-43-5", - "name": "2,4-dimethylhexane", - "iupac_name": "2,4-dimethylhexane", - "smiles": "CCC(C)CC(C)C", - "inchi": "InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.45038, - "sigma": 3.95994, - "epsilon_k": 244.70926 - } - }, - { - "identifier": { - "cas": "5617-41-4", - "name": "heptylcyclohexane", - "iupac_name": "heptylcyclohexane", - "smiles": "CCCCCCCC1CCCCC1", - "inchi": "InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3" - }, - "molarweight": 182.203, - "model_record": { - "m": 4.95524, - "sigma": 3.986, - "epsilon_k": 273.21075 - } - }, - { - "identifier": { - "cas": "121-45-9", - "name": "trimethylphosphite", - "iupac_name": "trimethyl phosphite", - "smiles": "COP(OC)OC", - "inchi": "InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3" - }, - "molarweight": 124.029, - "model_record": { - "m": 3.49527, - "sigma": 3.54552, - "epsilon_k": 251.31834, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "2868-37-3", - "name": "methyl ester cyclopropanecarboxylic acid", - "iupac_name": "methyl cyclopropanecarboxylate", - "smiles": "COC(=O)C1CC1", - "inchi": "InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3" - }, - "molarweight": 100.052, - "model_record": { - "m": 3.57214, - "sigma": 3.34202, - "epsilon_k": 256.0509, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "7803-62-5", - "name": "silane", - "iupac_name": "silane", - "smiles": "[SiH4]", - "inchi": "InChI=1S/H4Si/h1H4" - }, - "molarweight": 32.008, - "model_record": { - "m": 1.344, - "sigma": 3.73738, - "epsilon_k": 183.37799 - } - }, - { - "identifier": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "molarweight": 98.0, - "model_record": { - "m": 3.00335, - "sigma": 3.27402, - "epsilon_k": 320.56081, - "mu": 4.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "molarweight": 120.094, - "model_record": { - "m": 3.38569, - "sigma": 3.83005, - "epsilon_k": 293.80602 - } - }, - { - "identifier": { - "cas": "2690-08-6", - "name": "di-n-octyl thioether", - "iupac_name": "1-octylsulfanyloctane", - "smiles": "CCCCCCCCSCCCCCCCC", - "inchi": "InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "molarweight": 258.238, - "model_record": { - "m": 5.87615, - "sigma": 4.20886, - "epsilon_k": 291.2055, - "mu": 1.55, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "molarweight": 102.068, - "model_record": { - "m": 3.85433, - "sigma": 3.38973, - "epsilon_k": 229.59887, - "mu": 1.9, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2847-72-5", - "name": "4-methyldecane", - "iupac_name": "4-methyldecane", - "smiles": "CCCCCCC(C)CCC", - "inchi": "InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3" - }, - "molarweight": 156.188, - "model_record": { - "m": 4.70706, - "sigma": 3.92595, - "epsilon_k": 249.4918 - } - }, - { - "identifier": { - "cas": "4151-69-3", - "name": "2,2-dimethyl-3,4-dithiahexane", - "iupac_name": "2-(ethyldisulfanyl)-2-methylpropane", - "smiles": "CCSSC(C)(C)C", - "inchi": "InChI=1S/C6H14S2/c1-5-7-8-6(2,3)4/h5H2,1-4H3" - }, - "molarweight": 150.054, - "model_record": { - "m": 3.74374, - "sigma": 3.87157, - "epsilon_k": 278.55735, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "molarweight": 198.235, - "model_record": { - "m": 6.01753, - "sigma": 3.82609, - "epsilon_k": 252.65629 - } - }, - { - "identifier": { - "cas": "3681-78-5", - "name": "dodecanoic acid, propyl ester", - "iupac_name": "propyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCCC", - "inchi": "InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h3-14H2,1-2H3" - }, - "molarweight": 242.225, - "model_record": { - "m": 6.39639, - "sigma": 3.95331, - "epsilon_k": 266.42306, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "60-24-2", - "name": "2-mercapto ethanol", - "iupac_name": "2-sulfanylethanol", - "smiles": "OCCS", - "inchi": "InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2" - }, - "molarweight": 78.014, - "model_record": { - "m": 1.21331, - "sigma": 4.5, - "epsilon_k": 531.31282, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2430.15659, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1455-13-6", - "name": "o-deuteromethanol", - "iupac_name": "deuteriooxymethane", - "smiles": "[2H]OC", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" - }, - "molarweight": 32.026, - "model_record": { - "m": 2.85208, - "sigma": 2.60052, - "epsilon_k": 184.3475, - "kappa_ab": 0.14673, - "epsilon_k_ab": 2138.1465, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "molarweight": 82.078, - "model_record": { - "m": 3.19065, - "sigma": 3.57921, - "epsilon_k": 236.30656, - "mu": 0.83 - } - }, - { - "identifier": { - "cas": "13195-76-1", - "name": "boric acid, triisobutyl ester", - "iupac_name": "tris(2-methylpropyl) borate", - "smiles": "CC(C)COB(OCC(C)C)OCC(C)C", - "inchi": "InChI=1S/C12H27BO3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3" - }, - "molarweight": 230.205, - "model_record": { - "m": 5.8444, - "sigma": 3.97656, - "epsilon_k": 232.52772, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "109-92-2", - "name": "ethyl vinyl ether", - "iupac_name": "ethenoxyethane", - "smiles": "C=COCC", - "inchi": "InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3" - }, - "molarweight": 72.058, - "model_record": { - "m": 2.73707, - "sigma": 3.51065, - "epsilon_k": 232.75307, - "mu": 0.98, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "109-55-7", - "name": "3-n,n-dimethylaminopropylamine", - "iupac_name": "n',n'-dimethylpropane-1,3-diamine", - "smiles": "CN(C)CCCN", - "inchi": "InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3" - }, - "molarweight": 102.116, - "model_record": { - "m": 1.99434, - "sigma": 4.5, - "epsilon_k": 335.75613, - "kappa_ab": 0.00722, - "epsilon_k_ab": 1662.47489, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "627-30-5", - "name": "3-chloro-1-propanol", - "iupac_name": "3-chloropropan-1-ol", - "smiles": "OCCCCl", - "inchi": "InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2" - }, - "molarweight": 94.019, - "model_record": { - "m": 1.84362, - "sigma": 4.07204, - "epsilon_k": 417.56519, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3248.51627, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 4.04851, - "sigma": 3.49676, - "epsilon_k": 233.32721, - "mu": 1.9, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "628-05-7", - "name": "1-nitropentane", - "iupac_name": "1-nitropentane", - "smiles": "CCCCC[N+](=O)[O-]", - "inchi": "InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3" - }, - "molarweight": 117.079, - "model_record": { - "m": 3.73868, - "sigma": 3.56612, - "epsilon_k": 284.29554, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "111-69-3", - "name": "1,4-dicyanobutane", - "iupac_name": "hexanedinitrile", - "smiles": "N#CCCCCC#N", - "inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2" - }, - "molarweight": 108.069, - "model_record": { - "m": 3.37751, - "sigma": 3.67695, - "epsilon_k": 384.95254, - "mu": 3.75, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "74-96-4", - "name": "ethyl bromide", - "iupac_name": "bromoethane", - "smiles": "CCBr", - "inchi": "InChI=1S/C2H5Br/c1-2-3/h2H2,1H3" - }, - "molarweight": 107.957, - "model_record": { - "m": 2.16801, - "sigma": 3.52926, - "epsilon_k": 266.03019, - "mu": 2.03 - } - }, - { - "identifier": { - "cas": "101-84-8", - "name": "diphenyl ether", - "iupac_name": "phenoxybenzene", - "smiles": "c1ccc(Oc2ccccc2)cc1", - "inchi": "InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 170.073, - "model_record": { - "m": 4.07429, - "sigma": 3.80837, - "epsilon_k": 320.66953, - "mu": 1.1, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.01815, - "sigma": 4.01325, - "epsilon_k": 282.88454 - } - }, - { - "identifier": { - "cas": "124-13-0", - "name": "octanal", - "iupac_name": "octanal", - "smiles": "CCCCCCCC=O", - "inchi": "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3" - }, - "molarweight": 128.12, - "model_record": { - "m": 4.85974, - "sigma": 3.50489, - "epsilon_k": 242.67706, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-83-1", - "name": "1-bromooctane", - "iupac_name": "1-bromooctane", - "smiles": "CCCCCCCCBr", - "inchi": "InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3" - }, - "molarweight": 192.051, - "model_record": { - "m": 4.61552, - "sigma": 3.71917, - "epsilon_k": 263.54047 - } - }, - { - "identifier": { - "cas": "2882-96-4", - "name": "3-methylpentadecane", - "iupac_name": "3-methylpentadecane", - "smiles": "CCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2/h16H,4-15H2,1-3H3" - }, - "molarweight": 226.266, - "model_record": { - "m": 6.28891, - "sigma": 4.01586, - "epsilon_k": 259.59388 - } - }, - { - "identifier": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "molarweight": 282.256, - "model_record": { - "m": 12.31107, - "sigma": 3.29467, - "epsilon_k": 227.04936, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3285.41235, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1639-09-4", - "name": "1-heptanethiol", - "iupac_name": "heptane-1-thiol", - "smiles": "CCCCCCCS", - "inchi": "InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "molarweight": 132.097, - "model_record": { - "m": 2.47315, - "sigma": 4.5, - "epsilon_k": 309.40705, - "kappa_ab": 0.07962, - "epsilon_k_ab": 1609.12075, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "4253-91-2", - "name": "dipropylsulfoxide", - "iupac_name": "1-propylsulfinylpropane", - "smiles": "CCCS(=O)CCC", - "inchi": "InChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 134.077, - "model_record": { - "m": 3.93054, - "sigma": 3.69634, - "epsilon_k": 314.805, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "molarweight": 59.037, - "model_record": { - "m": 3.99182, - "sigma": 2.69434, - "epsilon_k": 199.96711, - "kappa_ab": 0.9, - "epsilon_k_ab": 2611.99891, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "16747-50-5", - "name": "1-methyl-1-ethylcyclopentane", - "iupac_name": "1-ethyl-1-methylcyclopentane", - "smiles": "CCC1(C)CCCC1", - "inchi": "InChI=1S/C8H16/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.96806, - "sigma": 4.0176, - "epsilon_k": 277.98748 - } - }, - { - "identifier": { - "cas": "616-39-7", - "name": "methyl diethyl amine", - "iupac_name": "n-ethyl-n-methylethanamine", - "smiles": "CCN(C)CC", - "inchi": "InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3" - }, - "molarweight": 87.105, - "model_record": { - "m": 2.97431, - "sigma": 3.74285, - "epsilon_k": 239.8109, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "smiles": "Oc1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "molarweight": 144.058, - "model_record": { - "m": 2.98372, - "sigma": 3.9732, - "epsilon_k": 368.17562, - "kappa_ab": 0.02699, - "epsilon_k_ab": 2629.51966, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "molarweight": 88.052, - "model_record": { - "m": 4.70085, - "sigma": 2.98499, - "epsilon_k": 212.88224, - "kappa_ab": 0.30395, - "epsilon_k_ab": 1819.92307, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "26186-02-7", - "name": "1-tridecyne", - "iupac_name": "tridec-1-yne", - "smiles": "C#CCCCCCCCCCCC", - "inchi": "InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3" - }, - "molarweight": 180.188, - "model_record": { - "m": 5.25167, - "sigma": 3.92218, - "epsilon_k": 260.47712 - } - }, - { - "identifier": { - "cas": "14073-97-3", - "name": "(-)-menthone", - "iupac_name": "(2s,5r)-5-methyl-2-propan-2-ylcyclohexan-1-one", - "smiles": "CC(C)[C@@H]1CC[C@@H](C)CC1=O", - "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1" - }, - "molarweight": 154.136, - "model_record": { - "m": 3.96459, - "sigma": 3.9266, - "epsilon_k": 289.85394, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "868-30-4", - "name": "diethylaminoborondichloride", - "iupac_name": "n-dichloroboranyl-n-ethylethanamine", - "smiles": "CCN(CC)B(Cl)Cl", - "inchi": "InChI=1S/C4H10BCl2N/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3" - }, - "molarweight": 153.028, - "model_record": { - "m": 3.02409, - "sigma": 4.03411, - "epsilon_k": 293.66741, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "molarweight": 98.073, - "model_record": { - "m": 3.43643, - "sigma": 3.55419, - "epsilon_k": 258.36419, - "mu": 3.21, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "619-99-8", - "name": "3-ethylhexane", - "iupac_name": "3-ethylhexane", - "smiles": "CCCC(CC)CC", - "inchi": "InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.53517, - "sigma": 3.90208, - "epsilon_k": 248.39319 - } - }, - { - "identifier": { - "cas": "7722-84-1", - "name": "hydrogen peroxide", - "iupac_name": "hydrogen peroxide", - "smiles": "OO", - "inchi": "InChI=1S/H2O2/c1-2/h1-2H" - }, - "molarweight": 34.005, - "model_record": { - "m": 3.12821, - "sigma": 2.17312, - "epsilon_k": 159.79095, - "kappa_ab": 0.34561, - "epsilon_k_ab": 1852.17704, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "97-63-2", - "name": "ethyl methacrylate", - "iupac_name": "ethyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCC", - "inchi": "InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3" - }, - "molarweight": 114.068, - "model_record": { - "m": 2.8576, - "sigma": 3.89269, - "epsilon_k": 283.49464, - "mu": 2.15, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "molarweight": 154.136, - "model_record": { - "m": 4.75444, - "sigma": 3.74842, - "epsilon_k": 253.73226, - "kappa_ab": 0.00615, - "epsilon_k_ab": 1928.38283, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "molarweight": 118.078, - "model_record": { - "m": 3.6247, - "sigma": 3.66263, - "epsilon_k": 281.62778 - } - }, - { - "identifier": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "molarweight": 76.035, - "model_record": { - "m": 2.29461, - "sigma": 3.74583, - "epsilon_k": 282.53913, - "kappa_ab": 0.03038, - "epsilon_k_ab": 644.97504, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7697-37-2", - "name": "nitric acid", - "iupac_name": "nitric acid", - "smiles": "O=[N+]([O-])O", - "inchi": "InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)" - }, - "molarweight": 62.996, - "model_record": { - "m": 2.1758, - "sigma": 2.98625, - "epsilon_k": 334.02803, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1932.6196, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "603-35-0", - "name": "triphenylphosphine", - "iupac_name": "triphenylphosphane", - "smiles": "c1ccc(P(c2ccccc2)c2ccccc2)cc1", - "inchi": "InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" - }, - "molarweight": 262.091, - "model_record": { - "m": 4.01103, - "sigma": 4.44563, - "epsilon_k": 398.11092, - "mu": 1.39 - } - }, - { - "identifier": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "molarweight": 97.969, - "model_record": { - "m": 2.60845, - "sigma": 3.42068, - "epsilon_k": 280.76296, - "mu": 1.8 - } - }, - { - "identifier": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "molarweight": 72.058, - "model_record": { - "m": 2.82623, - "sigma": 3.40913, - "epsilon_k": 248.43336, - "mu": 2.01, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2050-92-2", - "name": "dipentylamine", - "iupac_name": "n-pentylpentan-1-amine", - "smiles": "CCCCCNCCCCC", - "inchi": "InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3" - }, - "molarweight": 157.183, - "model_record": { - "m": 2.56902, - "sigma": 4.5, - "epsilon_k": 144.03655, - "kappa_ab": 0.05686, - "epsilon_k_ab": 4342.09561, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1962-75-0", - "name": "terephthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,4-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "molarweight": 278.152, - "model_record": { - "m": 7.70104, - "sigma": 3.65909, - "epsilon_k": 270.08074, - "mu": 2.53, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "molarweight": 67.042, - "model_record": { - "m": 3.16806, - "sigma": 3.1028, - "epsilon_k": 290.63755, - "mu": 1.84 - } - }, - { - "identifier": { - "cas": "1115-99-7", - "name": "triethylgallium", - "iupac_name": "triethylgallane", - "smiles": "[CH2]C.[CH2]C.[CH2]C.[Ga]", - "inchi": "InChI=1S/3C2H5.Ga/c3*1-2;/h3*1H2,2H3;" - }, - "molarweight": 156.043, - "model_record": { - "m": 3.72266, - "sigma": 3.75578, - "epsilon_k": 261.81455 - } - }, - { - "identifier": { - "cas": "75-38-7", - "name": "1,1-difluoroethene", - "iupac_name": "1,1-difluoroethene", - "smiles": "C=C(F)F", - "inchi": "InChI=1S/C2H2F2/c1-2(3)4/h1H2" - }, - "molarweight": 64.012, - "model_record": { - "m": 2.0273, - "sigma": 3.28538, - "epsilon_k": 164.01206, - "mu": 1.38 - } - }, - { - "identifier": { - "cas": "19329-89-6", - "name": "isoamyl lactate", - "iupac_name": "3-methylbutyl 2-hydroxypropanoate", - "smiles": "CC(C)CCOC(=O)C(C)O", - "inchi": "InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3" - }, - "molarweight": 160.11, - "model_record": { - "m": 2.84264, - "sigma": 4.38338, - "epsilon_k": 332.43574, - "kappa_ab": 0.01101, - "epsilon_k_ab": 1163.29163, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "359-11-5", - "name": "trifluoroethene (r1123)", - "iupac_name": "1,1,2-trifluoroethene", - "smiles": "FC=C(F)F", - "inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H" - }, - "molarweight": 82.003, - "model_record": { - "m": 4.32882, - "sigma": 2.50921, - "epsilon_k": 130.0238, - "mu": 1.4 - } - }, - { - "identifier": { - "cas": "13509-27-8", - "name": "methyl phenyl carbonate", - "iupac_name": "methyl phenyl carbonate", - "smiles": "COC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 152.047, - "model_record": { - "m": 3.91714, - "sigma": 3.62479, - "epsilon_k": 302.94046, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "638-45-9", - "name": "1-iodohexane", - "iupac_name": "1-iodohexane", - "smiles": "CCCCCCI", - "inchi": "InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "molarweight": 212.006, - "model_record": { - "m": 3.60779, - "sigma": 3.83679, - "epsilon_k": 288.14921, - "mu": 1.94 - } - }, - { - "identifier": { - "cas": "495-40-9", - "name": "propyl phenyl ketone", - "iupac_name": "1-phenylbutan-1-one", - "smiles": "CCCC(=O)c1ccccc1", - "inchi": "InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "molarweight": 148.089, - "model_record": { - "m": 5.58327, - "sigma": 3.3315, - "epsilon_k": 259.03428, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "122-60-1", - "name": "2-phenoxymethyloxirane", - "iupac_name": "2-(phenoxymethyl)oxirane", - "smiles": "c1ccc(OCC2CO2)cc1", - "inchi": "InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2" - }, - "molarweight": 150.068, - "model_record": { - "m": 5.54909, - "sigma": 3.24766, - "epsilon_k": 270.07146, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "375-96-2", - "name": "perfluorononane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-icosafluorononane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C9F20/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29" - }, - "molarweight": 487.968, - "model_record": { - "m": 6.50662, - "sigma": 3.72925, - "epsilon_k": 180.65081 - } - }, - { - "identifier": { - "cas": "1187-58-2", - "name": "n-methyl propanamide", - "iupac_name": "n-methylpropanamide", - "smiles": "CCC(O)=NC", - "inchi": "InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)" - }, - "molarweight": 87.068, - "model_record": { - "m": 1.57302, - "sigma": 4.46282, - "epsilon_k": 550.0, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7642-10-6", - "name": "cis-3-heptene", - "iupac_name": "(z)-hept-3-ene", - "smiles": "CC/C=C\\CCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-" - }, - "molarweight": 98.11, - "model_record": { - "m": 3.34582, - "sigma": 3.7832, - "epsilon_k": 243.01149 - } - }, - { - "identifier": { - "cas": "103-73-1", - "name": "ethoxybenzene", - "iupac_name": "ethoxybenzene", - "smiles": "CCOc1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "molarweight": 122.073, - "model_record": { - "m": 3.82096, - "sigma": 3.57923, - "epsilon_k": 277.62899, - "mu": 1.40003, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "112-41-4", - "name": "1-dodecene", - "iupac_name": "dodec-1-ene", - "smiles": "C=CCCCCCCCCCC", - "inchi": "InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3" - }, - "molarweight": 168.188, - "model_record": { - "m": 5.4321, - "sigma": 3.81379, - "epsilon_k": 245.17208 - } - }, - { - "identifier": { - "cas": "66205-02-5", - "name": "7-butyl-1-hexyl-1,2,3,4-tetrahydronaphthalene", - "iupac_name": "7-butyl-1-hexyl-1,2,3,4-tetrahydronaphthalene", - "smiles": "CCCCCCC1CCCc2ccc(CCCC)cc21", - "inchi": "InChI=1S/C20H32/c1-3-5-7-8-11-18-12-9-13-19-15-14-17(10-6-4-2)16-20(18)19/h14-16,18H,3-13H2,1-2H3" - }, - "molarweight": 272.25, - "model_record": { - "m": 6.85127, - "sigma": 3.97592, - "epsilon_k": 281.09717 - } - }, - { - "identifier": { - "cas": "7439-90-9", - "name": "krypton", - "iupac_name": "krypton", - "smiles": "[Kr]", - "inchi": "InChI=1S/Kr" - }, - "molarweight": 83.912, - "model_record": { - "m": 1.0, - "sigma": 3.60769, - "epsilon_k": 164.02057 - } - }, - { - "identifier": { - "cas": "428-92-2", - "name": "2-chloro-1,1,2-trifluoroethylchloromethyl ether", - "iupac_name": "2-chloro-1-(chloromethoxy)-1,1,2-trifluoroethane", - "smiles": "FC(Cl)C(F)(F)OCCl", - "inchi": "InChI=1S/C3H3Cl2F3O/c4-1-9-3(7,8)2(5)6/h2H,1H2" - }, - "molarweight": 181.951, - "model_record": { - "m": 4.26827, - "sigma": 3.31308, - "epsilon_k": 227.29125, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "84-69-5", - "name": "phthalic acid diisobutyl ester", - "iupac_name": "bis(2-methylpropyl) benzene-1,2-dicarboxylate", - "smiles": "CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C", - "inchi": "InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3" - }, - "molarweight": 278.152, - "model_record": { - "m": 7.45512, - "sigma": 3.69998, - "epsilon_k": 262.59779, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "molarweight": 101.12, - "model_record": { - "m": 3.24426, - "sigma": 3.8504, - "epsilon_k": 227.62511, - "kappa_ab": 0.36957, - "epsilon_k_ab": 428.58459, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1067-08-9", - "name": "3-methyl-3-ethylpentane", - "iupac_name": "3-ethyl-3-methylpentane", - "smiles": "CCC(C)(CC)CC", - "inchi": "InChI=1S/C8H18/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.09421, - "sigma": 4.06572, - "epsilon_k": 266.92626 - } - }, - { - "identifier": { - "cas": "17312-77-5", - "name": "2,3-dimethylundecane", - "iupac_name": "2,3-dimethylundecane", - "smiles": "CCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C13H28/c1-5-6-7-8-9-10-11-13(4)12(2)3/h12-13H,5-11H2,1-4H3" - }, - "molarweight": 184.219, - "model_record": { - "m": 4.88341, - "sigma": 4.08206, - "epsilon_k": 264.31308 - } - }, - { - "identifier": { - "cas": "6163-66-2", - "name": "di-tert-butyl ether", - "iupac_name": "2-methyl-2-[(2-methylpropan-2-yl)oxy]propane", - "smiles": "CC(C)(C)OC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 3.58624, - "sigma": 3.95209, - "epsilon_k": 237.30769, - "mu": 1.21, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "10147-36-1", - "name": "propanesulfonyl chloride", - "iupac_name": "propane-1-sulfonyl chloride", - "smiles": "CCCS(=O)(=O)Cl", - "inchi": "InChI=1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3" - }, - "molarweight": 141.986, - "model_record": { - "m": 3.44022, - "sigma": 3.57119, - "epsilon_k": 312.8655, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "molarweight": 102.068, - "model_record": { - "m": 3.81902, - "sigma": 3.40421, - "epsilon_k": 233.62688, - "mu": 1.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "587-03-1", - "name": "3-methylbenzyl alcohol", - "iupac_name": "(3-methylphenyl)methanol", - "smiles": "Cc1cccc(CO)c1", - "inchi": "InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3" - }, - "molarweight": 122.073, - "model_record": { - "m": 7.43098, - "sigma": 2.88488, - "epsilon_k": 224.7756, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3158.02548, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1795-17-1", - "name": "n-dodecylcyclohexane", - "iupac_name": "dodecylcyclohexane", - "smiles": "CCCCCCCCCCCCC1CCCCC1", - "inchi": "InChI=1S/C18H36/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-17H2,1H3" - }, - "molarweight": 252.282, - "model_record": { - "m": 8.08947, - "sigma": 3.75168, - "epsilon_k": 246.30357 - } - }, - { - "identifier": { - "cas": "111-14-8", - "name": "heptanoic acid", - "iupac_name": "heptanoic acid", - "smiles": "CCCCCCC(=O)O", - "inchi": "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)" - }, - "molarweight": 130.099, - "model_record": { - "m": 5.92099, - "sigma": 3.23324, - "epsilon_k": 248.24152, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3860.065, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "519-73-3", - "name": "triphenylmethane", - "iupac_name": "benzhydrylbenzene", - "smiles": "c1ccc(C(c2ccccc2)c2ccccc2)cc1", - "inchi": "InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H" - }, - "molarweight": 244.125, - "model_record": { - "m": 5.45854, - "sigma": 3.93054, - "epsilon_k": 322.75418 - } - }, - { - "identifier": { - "cas": "127-17-3", - "name": "pyruvic acid [2-oxo-propionic acid]", - "iupac_name": "2-oxopropanoic acid", - "smiles": "CC(=O)C(=O)O", - "inchi": "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)" - }, - "molarweight": 88.016, - "model_record": { - "m": 4.12024, - "sigma": 2.77065, - "epsilon_k": 164.58826, - "kappa_ab": 0.09101, - "epsilon_k_ab": 3105.16621, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "molarweight": 58.042, - "model_record": { - "m": 2.52752, - "sigma": 3.2733, - "epsilon_k": 241.47794, - "mu": 2.01, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.78331, - "sigma": 3.79804, - "epsilon_k": 241.90583 - } - }, - { - "identifier": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "molarweight": 62.019, - "model_record": { - "m": 2.31357, - "sigma": 3.44293, - "epsilon_k": 262.63287, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "592-42-7", - "name": "1,5-hexadiene", - "iupac_name": "hexa-1,5-diene", - "smiles": "C=CCCC=C", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2" - }, - "molarweight": 82.078, - "model_record": { - "m": 2.70851, - "sigma": 3.82118, - "epsilon_k": 248.0981 - } - }, - { - "identifier": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "molarweight": 142.078, - "model_record": { - "m": 3.20464, - "sigma": 3.99261, - "epsilon_k": 355.29216 - } - }, - { - "identifier": { - "cas": "10026-04-7", - "name": "tetrachlorosilane", - "iupac_name": "tetrachlorosilane", - "smiles": "Cl[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl4Si/c1-5(2,3)4" - }, - "molarweight": 167.852, - "model_record": { - "m": 2.58094, - "sigma": 3.8323, - "epsilon_k": 254.38238 - } - }, - { - "identifier": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" - }, - "molarweight": 87.105, - "model_record": { - "m": 3.24364, - "sigma": 3.64534, - "epsilon_k": 237.87493, - "kappa_ab": 0.15168, - "epsilon_k_ab": 1005.52848, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2442-49-1", - "name": "tetracosanoic acid, methyl ester", - "iupac_name": "methyl tetracosanoate", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3" - }, - "molarweight": 382.381, - "model_record": { - "m": 23.32288, - "sigma": 2.92015, - "epsilon_k": 186.45747, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "6291-84-5", - "name": "n-methylpropane-1,3-diamine", - "iupac_name": "n'-methylpropane-1,3-diamine", - "smiles": "CNCCCN", - "inchi": "InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3" - }, - "molarweight": 88.1, - "model_record": { - "m": 2.26839, - "sigma": 4.05107, - "epsilon_k": 340.08937, - "kappa_ab": 0.00066, - "epsilon_k_ab": 1907.1663, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "103-63-9", - "name": "(2-bromoethyl)benzene", - "iupac_name": "2-bromoethylbenzene", - "smiles": "BrCCc1ccccc1", - "inchi": "InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2" - }, - "molarweight": 183.989, - "model_record": { - "m": 4.17793, - "sigma": 3.56695, - "epsilon_k": 293.32117 - } - }, - { - "identifier": { - "cas": "97-72-3", - "name": "2-methyl-propionic anhydride", - "iupac_name": "2-methylpropanoyl 2-methylpropanoate", - "smiles": "CC(C)C(=O)OC(=O)C(C)C", - "inchi": "InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3" - }, - "molarweight": 158.094, - "model_record": { - "m": 4.6442, - "sigma": 3.6466, - "epsilon_k": 253.47293, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "molarweight": 74.073, - "model_record": { - "m": 3.66387, - "sigma": 3.24366, - "epsilon_k": 232.69184, - "kappa_ab": 0.01435, - "epsilon_k_ab": 2163.47788, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-11-5", - "name": "octanoic acid methyl ester", - "iupac_name": "methyl octanoate", - "smiles": "CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3" - }, - "molarweight": 158.131, - "model_record": { - "m": 5.13287, - "sigma": 3.62464, - "epsilon_k": 245.75778, - "mu": 1.71, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "molarweight": 136.089, - "model_record": { - "m": 2.26357, - "sigma": 4.5, - "epsilon_k": 373.07364, - "kappa_ab": 0.00131, - "epsilon_k_ab": 2991.18529, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "molarweight": 102.068, - "model_record": { - "m": 3.72169, - "sigma": 3.42377, - "epsilon_k": 237.87081, - "mu": 1.7, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "77-74-7", - "name": "3-methyl-3-pentanol", - "iupac_name": "3-methylpentan-3-ol", - "smiles": "CCC(C)(O)CC", - "inchi": "InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.80776, - "sigma": 3.5306, - "epsilon_k": 242.94264, - "kappa_ab": 0.00022, - "epsilon_k_ab": 2821.43953, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "molarweight": 151.875, - "model_record": { - "m": 2.32199, - "sigma": 3.79797, - "epsilon_k": 292.54982 - } - }, - { - "identifier": { - "cas": "61868-07-3", - "name": "2,4-dimethylpentadecane", - "smiles": "CCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C17H36/c1-5-6-7-8-9-10-11-12-13-14-17(4)15-16(2)3/h16-17H,5-15H2,1-4H3" - }, - "molarweight": 240.282, - "model_record": { - "m": 8.87592, - "sigma": 3.60871, - "epsilon_k": 220.51253 - } - }, - { - "identifier": { - "cas": "628-76-2", - "name": "1,5-dichloropentane", - "iupac_name": "1,5-dichloropentane", - "smiles": "ClCCCCCCl", - "inchi": "InChI=1S/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2" - }, - "molarweight": 140.016, - "model_record": { - "m": 3.91414, - "sigma": 3.55572, - "epsilon_k": 280.84797, - "mu": 2.36 - } - }, - { - "identifier": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "molarweight": 126.0, - "model_record": { - "m": 2.85528, - "sigma": 3.77798, - "epsilon_k": 315.50637, - "mu": 2.22 - } - }, - { - "identifier": { - "cas": "143-16-8", - "name": "dihexylamine", - "iupac_name": "n-hexylhexan-1-amine", - "smiles": "CCCCCCNCCCCCC", - "inchi": "InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3" - }, - "molarweight": 185.214, - "model_record": { - "m": 3.66449, - "sigma": 4.5, - "epsilon_k": 262.55031, - "kappa_ab": 0.10559, - "epsilon_k_ab": 2340.8518, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "507-55-1", - "name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane r225cb", - "iupac_name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane", - "smiles": "FC(Cl)C(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H" - }, - "molarweight": 201.938, - "model_record": { - "m": 2.77618, - "sigma": 3.88512, - "epsilon_k": 238.17817 - } - }, - { - "identifier": { - "cas": "108-36-1", - "name": "m-dibromobenzene", - "iupac_name": "1,3-dibromobenzene", - "smiles": "Brc1cccc(Br)c1", - "inchi": "InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "molarweight": 233.868, - "model_record": { - "m": 2.97212, - "sigma": 3.86812, - "epsilon_k": 358.63284, - "mu": 1.47 - } - }, - { - "identifier": { - "cas": "1613-51-0", - "name": "tetrahydrothiopyran", - "iupac_name": "thiane", - "smiles": "C1CCSCC1", - "inchi": "InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2" - }, - "molarweight": 102.05, - "model_record": { - "m": 2.51582, - "sigma": 3.85477, - "epsilon_k": 330.91106, - "mu": 1.71, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "molarweight": 98.11, - "model_record": { - "m": 3.27031, - "sigma": 3.83115, - "epsilon_k": 244.19525 - } - }, - { - "identifier": { - "cas": "60-33-3", - "name": "linoleic acid", - "iupac_name": "(9z,12z)-octadeca-9,12-dienoic acid", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-" - }, - "molarweight": 280.24, - "model_record": { - "m": 6.33016, - "sigma": 4.18378, - "epsilon_k": 306.76458, - "kappa_ab": 0.00109, - "epsilon_k_ab": 4063.6129, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "80-73-9", - "name": "1,3-dimethylimidazolidin-2-one", - "iupac_name": "1,3-dimethylimidazolidin-2-one", - "smiles": "CN1CCN(C)C1=O", - "inchi": "InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3" - }, - "molarweight": 114.079, - "model_record": { - "m": 3.58364, - "sigma": 3.5106, - "epsilon_k": 312.0671, - "mu": 4.05, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.34042, - "sigma": 3.93391, - "epsilon_k": 244.32548 - } - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "molarweight": 106.078, - "model_record": { - "m": 3.0887, - "sigma": 3.781, - "epsilon_k": 287.08422 - } - }, - { - "identifier": { - "cas": "542-10-9", - "name": "1,1-ethanediol diacetate", - "iupac_name": "1-acetyloxyethyl acetate", - "smiles": "CC(=O)OC(C)OC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3" - }, - "molarweight": 146.058, - "model_record": { - "m": 5.39448, - "sigma": 3.23042, - "epsilon_k": 232.28333, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "molarweight": 106.063, - "model_record": { - "m": 3.36723, - "sigma": 3.40911, - "epsilon_k": 174.98848, - "kappa_ab": 0.06873, - "epsilon_k_ab": 2525.13962, - "na": 2.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "smiles": "C=C(C)CCC", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "molarweight": 84.094, - "model_record": { - "m": 2.91935, - "sigma": 3.77441, - "epsilon_k": 239.2978 - } - }, - { - "identifier": { - "cas": "3221-61-2", - "name": "2-methyloctane", - "iupac_name": "2-methyloctane", - "smiles": "CCCCCCC(C)C", - "inchi": "InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 4.10474, - "sigma": 3.87073, - "epsilon_k": 242.55508 - } - }, - { - "identifier": { - "cas": "10038-98-9", - "name": "tetrachlorogermane", - "iupac_name": "tetrachlorogermane", - "smiles": "Cl[Ge](Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl4Ge/c1-5(2,3)4" - }, - "molarweight": 213.797, - "model_record": { - "m": 2.63314, - "sigma": 3.84498, - "epsilon_k": 273.45657 - } - }, - { - "identifier": { - "cas": "97-88-1", - "name": "methacrylic acid, butyl ester", - "iupac_name": "butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCCC", - "inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" - }, - "molarweight": 142.099, - "model_record": { - "m": 4.38285, - "sigma": 3.66084, - "epsilon_k": 249.35497, - "mu": 2.15, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "544-01-4", - "name": "diisopentyl ether", - "iupac_name": "3-methyl-1-(3-methylbutoxy)butane", - "smiles": "CC(C)CCOCCC(C)C", - "inchi": "InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3" - }, - "molarweight": 158.167, - "model_record": { - "m": 4.56289, - "sigma": 3.92369, - "epsilon_k": 244.17154, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "120-61-6", - "name": "dimethyl terephthalate", - "iupac_name": "dimethyl benzene-1,4-dicarboxylate", - "smiles": "COC(=O)c1ccc(C(=O)OC)cc1", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3" - }, - "molarweight": 194.058, - "model_record": { - "m": 4.80257, - "sigma": 3.6395, - "epsilon_k": 308.88309, - "mu": 2.3, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "1078-71-3", - "name": "heptylbenzene", - "iupac_name": "heptylbenzene", - "smiles": "CCCCCCCc1ccccc1", - "inchi": "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3" - }, - "molarweight": 176.157, - "model_record": { - "m": 4.98783, - "sigma": 3.8621, - "epsilon_k": 274.88065 - } - }, - { - "identifier": { - "cas": "104-72-3", - "name": "1-phenyldecane", - "iupac_name": "decylbenzene", - "smiles": "CCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3" - }, - "molarweight": 218.203, - "model_record": { - "m": 6.06829, - "sigma": 3.90803, - "epsilon_k": 272.88466 - } - }, - { - "identifier": { - "cas": "593-53-3", - "name": "methyl fluoride [r41]", - "iupac_name": "fluoromethane", - "smiles": "CF", - "inchi": "InChI=1S/CH3F/c1-2/h1H3" - }, - "molarweight": 34.022, - "model_record": { - "m": 2.0437, - "sigma": 2.89783, - "epsilon_k": 152.84981, - "mu": 1.85 - } - }, - { - "identifier": { - "cas": "66538-96-3", - "name": "6-butyl-7-hexyl-1,2,3,4-tetrahydronaphthalene", - "iupac_name": "6-butyl-7-hexyl-1,2,3,4-tetrahydronaphthalene", - "smiles": "CCCCCCc1cc2c(cc1CCCC)CCCC2", - "inchi": "InChI=1S/C20H32/c1-3-5-7-8-12-18-16-20-14-10-9-13-19(20)15-17(18)11-6-4-2/h15-16H,3-14H2,1-2H3" - }, - "molarweight": 272.25, - "model_record": { - "m": 6.62524, - "sigma": 4.02038, - "epsilon_k": 288.72756 - } - }, - { - "identifier": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "molarweight": 160.125, - "model_record": { - "m": 3.7126, - "sigma": 4.02435, - "epsilon_k": 320.80454 - } - }, - { - "identifier": { - "cas": "16587-33-0", - "name": "1,2,3,4-tetrahydrodibenzothiophene", - "iupac_name": "1,2,3,4-tetrahydrodibenzothiophene", - "smiles": "c1ccc2c3c(sc2c1)CCCC3", - "inchi": "InChI=1S/C12H12S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7H,2,4,6,8H2" - }, - "molarweight": 188.066, - "model_record": { - "m": 3.79202, - "sigma": 3.99425, - "epsilon_k": 373.72292, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "57-57-8", - "name": "2-oxetanone", - "iupac_name": "oxetan-2-one", - "smiles": "O=C1CCO1", - "inchi": "InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2" - }, - "molarweight": 72.021, - "model_record": { - "m": 3.25309, - "sigma": 3.01291, - "epsilon_k": 257.0024, - "mu": 4.18, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "99-99-0", - "name": "p-nitrotoluene", - "iupac_name": "1-methyl-4-nitrobenzene", - "smiles": "Cc1ccc([N+](=O)[O-])cc1", - "inchi": "InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3" - }, - "molarweight": 137.048, - "model_record": { - "m": 3.78116, - "sigma": 3.56015, - "epsilon_k": 309.08416, - "mu": 4.44, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "589-92-4", - "name": "4-methylcyclohexanone", - "iupac_name": "4-methylcyclohexan-1-one", - "smiles": "CC1CCC(=O)CC1", - "inchi": "InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3" - }, - "molarweight": 112.089, - "model_record": { - "m": 3.06707, - "sigma": 3.82077, - "epsilon_k": 313.80941, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-70-3", - "name": "1,3,5-trichlorobenzene", - "iupac_name": "1,3,5-trichlorobenzene", - "smiles": "Clc1cc(Cl)cc(Cl)c1", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H" - }, - "molarweight": 179.93, - "model_record": { - "m": 3.34345, - "sigma": 3.75742, - "epsilon_k": 326.53359 - } - }, - { - "identifier": { - "cas": "101-97-3", - "name": "phenylacetic acid ethyl ester", - "iupac_name": "ethyl 2-phenylacetate", - "smiles": "CCOC(=O)Cc1ccccc1", - "inchi": "InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3" - }, - "molarweight": 164.084, - "model_record": { - "m": 4.95838, - "sigma": 3.54619, - "epsilon_k": 272.29543, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "molarweight": 129.914, - "model_record": { - "m": 2.55181, - "sigma": 3.59585, - "epsilon_k": 287.2974, - "mu": 0.9 - } - }, - { - "identifier": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "molarweight": 82.078, - "model_record": { - "m": 3.44431, - "sigma": 3.48564, - "epsilon_k": 233.64361 - } - }, - { - "identifier": { - "cas": "823-22-3", - "name": "tetrahydro-6-methyl-2h-pyran-2-one", - "iupac_name": "6-methyloxan-2-one", - "smiles": "CC1CCCC(=O)O1", - "inchi": "InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3" - }, - "molarweight": 114.068, - "model_record": { - "m": 3.9316, - "sigma": 3.3994, - "epsilon_k": 312.74487, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "molarweight": 87.068, - "model_record": { - "m": 3.47319, - "sigma": 3.33831, - "epsilon_k": 276.54326, - "mu": 3.81, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "139-66-2", - "name": "phenylsulfide", - "iupac_name": "phenylsulfanylbenzene", - "smiles": "c1ccc(Sc2ccccc2)cc1", - "inchi": "InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 186.05, - "model_record": { - "m": 4.16567, - "sigma": 3.8737, - "epsilon_k": 337.82737, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.66045, - "sigma": 3.9956, - "epsilon_k": 282.31227 - } - }, - { - "identifier": { - "cas": "78-08-0", - "name": "vinyl triethoxy silane", - "iupac_name": "ethenyl(triethoxy)silane", - "smiles": "C=C[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H18O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h8H,4-7H2,1-3H3" - }, - "molarweight": 190.103, - "model_record": { - "m": 6.34537, - "sigma": 3.49229, - "epsilon_k": 203.14325, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "molarweight": 100.089, - "model_record": { - "m": 3.63118, - "sigma": 3.56677, - "epsilon_k": 252.94354, - "mu": 2.68, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "112-05-0", - "name": "nonanoic acid", - "iupac_name": "nonanoic acid", - "smiles": "CCCCCCCCC(=O)O", - "inchi": "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)" - }, - "molarweight": 158.131, - "model_record": { - "m": 5.41128, - "sigma": 3.59757, - "epsilon_k": 269.67493, - "kappa_ab": 0.0001, - "epsilon_k_ab": 4330.29863, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "496-14-0", - "name": "2,5-dihydrobenzo-3,4-furan ", - "iupac_name": "1,3-dihydro-2-benzofuran", - "smiles": "c1ccc2c(c1)COC2", - "inchi": "InChI=1S/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2" - }, - "molarweight": 120.058, - "model_record": { - "m": 3.43276, - "sigma": 3.5659, - "epsilon_k": 314.19826, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "119-65-3", - "name": "isoquinoline", - "iupac_name": "isoquinoline", - "smiles": "c1ccc2cnccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" - }, - "molarweight": 129.058, - "model_record": { - "m": 3.15614, - "sigma": 3.78003, - "epsilon_k": 361.32096, - "mu": 2.73, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "589-82-2", - "name": "3-heptanol", - "iupac_name": "heptan-3-ol", - "smiles": "CCCCC(O)CC", - "inchi": "InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 116.12, - "model_record": { - "m": 3.88509, - "sigma": 3.70955, - "epsilon_k": 252.81049, - "kappa_ab": 0.00366, - "epsilon_k_ab": 2424.04864, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2141-62-0", - "name": "3-ethoxypropionitrile", - "iupac_name": "3-ethoxypropanenitrile", - "smiles": "CCOCCC#N", - "inchi": "InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3" - }, - "molarweight": 99.068, - "model_record": { - "m": 3.69288, - "sigma": 3.44505, - "epsilon_k": 289.64755, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2016-57-1", - "name": "n-decylamine", - "iupac_name": "decan-1-amine", - "smiles": "CCCCCCCCCCN", - "inchi": "InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3" - }, - "molarweight": 157.183, - "model_record": { - "m": 3.6327, - "sigma": 4.28387, - "epsilon_k": 298.56771, - "kappa_ab": 0.01438, - "epsilon_k_ab": 1828.8274, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "molarweight": 99.105, - "model_record": { - "m": 1.88961, - "sigma": 4.44098, - "epsilon_k": 360.7346, - "kappa_ab": 0.01058, - "epsilon_k_ab": 1567.84017, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "88-15-3", - "name": "2-acetylthiophene", - "iupac_name": "1-thiophen-2-ylethanone", - "smiles": "CC(=O)c1cccs1", - "inchi": "InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3" - }, - "molarweight": 126.014, - "model_record": { - "m": 3.77328, - "sigma": 3.43464, - "epsilon_k": 314.14213, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "molarweight": 100.014, - "model_record": { - "m": 4.11855, - "sigma": 2.82674, - "epsilon_k": 193.36685, - "kappa_ab": 0.06634, - "epsilon_k_ab": 1595.77038, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-33-2", - "name": "dodecanoic acid ethyl ester", - "iupac_name": "ethyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3" - }, - "molarweight": 228.209, - "model_record": { - "m": 6.84174, - "sigma": 3.77182, - "epsilon_k": 249.46857, - "mu": 1.76, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 88.089, - "model_record": { - "m": 2.88784, - "sigma": 3.73187, - "epsilon_k": 260.46563, - "kappa_ab": 0.00539, - "epsilon_k_ab": 2649.13909, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "molarweight": 141.995, - "model_record": { - "m": 3.69008, - "sigma": 3.5432, - "epsilon_k": 288.15618, - "mu": 2.58, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "344-07-0", - "name": "chloropentafluorobenzene", - "iupac_name": "1-chloro-2,3,4,5,6-pentafluorobenzene", - "smiles": "Fc1c(F)c(F)c(Cl)c(F)c1F", - "inchi": "InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "molarweight": 201.961, - "model_record": { - "m": 3.75124, - "sigma": 3.54168, - "epsilon_k": 245.77185 - } - }, - { - "identifier": { - "cas": "78-85-3", - "name": "methacrolein", - "iupac_name": "2-methylprop-2-enal", - "smiles": "C=C(C)C=O", - "inchi": "InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3" - }, - "molarweight": 70.042, - "model_record": { - "m": 2.58152, - "sigma": 3.49089, - "epsilon_k": 256.52442, - "mu": 2.68, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "163702-05-4", - "name": "nonafluorobutyl ethyl ether", - "iupac_name": "1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane", - "smiles": "CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3" - }, - "molarweight": 264.02, - "model_record": { - "m": 4.51732, - "sigma": 3.68314, - "epsilon_k": 192.01117, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "617-78-7", - "name": "3-ethylpentane", - "iupac_name": "3-ethylpentane", - "smiles": "CCC(CC)CC", - "inchi": "InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3" - }, - "molarweight": 100.125, - "model_record": { - "m": 3.17762, - "sigma": 3.89316, - "epsilon_k": 247.47183 - } - }, - { - "identifier": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "molarweight": 90.068, - "model_record": { - "m": 2.6315, - "sigma": 3.62098, - "epsilon_k": 130.73932, - "kappa_ab": 0.03413, - "epsilon_k_ab": 2912.47798, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "molarweight": 72.094, - "model_record": { - "m": 2.35712, - "sigma": 3.95028, - "epsilon_k": 225.61501 - } - }, - { - "identifier": { - "cas": "591-49-1", - "name": "1-methylcyclohexene", - "iupac_name": "1-methylcyclohexene", - "smiles": "CC1=CCCCC1", - "inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3" - }, - "molarweight": 96.094, - "model_record": { - "m": 2.62859, - "sigma": 3.92804, - "epsilon_k": 294.2903 - } - }, - { - "identifier": { - "cas": "3877-15-4", - "name": "2-thiapentane", - "iupac_name": "1-methylsulfanylpropane", - "smiles": "CCCSC", - "inchi": "InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3" - }, - "molarweight": 90.05, - "model_record": { - "m": 2.91541, - "sigma": 3.64742, - "epsilon_k": 268.75571, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "molarweight": 179.119, - "model_record": { - "m": 4.95837, - "sigma": 3.66702, - "epsilon_k": 259.0816, - "mu": 5.54, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "598-53-8", - "name": "methyl isopropyl ether", - "iupac_name": "2-methoxypropane", - "smiles": "COC(C)C", - "inchi": "InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3" - }, - "molarweight": 74.073, - "model_record": { - "m": 2.825, - "sigma": 3.54669, - "epsilon_k": 223.17478, - "mu": 1.25, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "124-11-8", - "name": "1-nonene", - "iupac_name": "non-1-ene", - "smiles": "C=CCCCCCCC", - "inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3" - }, - "molarweight": 126.141, - "model_record": { - "m": 4.09616, - "sigma": 3.84022, - "epsilon_k": 245.89649 - } - }, - { - "identifier": { - "cas": "14144-48-0", - "name": "propionic acid,beta butoxy,butyl ester", - "iupac_name": "butyl 3-butoxypropanoate", - "smiles": "CCCCOCCC(=O)OCCCC", - "inchi": "InChI=1S/C11H22O3/c1-3-5-8-13-10-7-11(12)14-9-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 202.157, - "model_record": { - "m": 7.63407, - "sigma": 3.39225, - "epsilon_k": 220.40783, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "molarweight": 74.037, - "model_record": { - "m": 3.25306, - "sigma": 3.14634, - "epsilon_k": 228.69349, - "mu": 1.7, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "25117-29-7", - "name": "4-methylheneicosane", - "iupac_name": "4-methylhenicosane", - "smiles": "CCCCCCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22(3)20-5-2/h22H,4-21H2,1-3H3" - }, - "molarweight": 310.36, - "model_record": { - "m": 7.7279, - "sigma": 4.15132, - "epsilon_k": 266.52255 - } - }, - { - "identifier": { - "cas": "1119-40-0", - "name": "dimethyl glutarate", - "iupac_name": "dimethyl pentanedioate", - "smiles": "COC(=O)CCCC(=O)OC", - "inchi": "InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3" - }, - "molarweight": 160.074, - "model_record": { - "m": 5.65796, - "sigma": 3.28952, - "epsilon_k": 248.24325, - "mu": 2.36, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "21531-33-9", - "name": "cis,anti,cis-tricyclo[3.1.0.0 2,4]hexane", - "smiles": "C1[C@H]2[C@@H]3C[C@@H]3[C@@H]12", - "inchi": "InChI=1/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5+,6-" - }, - "molarweight": 80.063, - "model_record": { - "m": 1.93836, - "sigma": 3.99922, - "epsilon_k": 320.54326 - } - }, - { - "identifier": { - "cas": "99-08-1", - "name": "m-nitrotoluene", - "iupac_name": "1-methyl-3-nitrobenzene", - "smiles": "Cc1cccc([N+](=O)[O-])c1", - "inchi": "InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3" - }, - "molarweight": 137.048, - "model_record": { - "m": 3.51777, - "sigma": 3.64735, - "epsilon_k": 318.85702, - "mu": 4.23, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "517-23-7", - "name": "2-acetylbutyrolactone", - "iupac_name": "3-acetyloxolan-2-one", - "smiles": "CC(=O)C1CCOC1=O", - "inchi": "InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3" - }, - "molarweight": 128.047, - "model_record": { - "m": 4.66628, - "sigma": 3.20028, - "epsilon_k": 306.36263, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "molarweight": 88.035, - "model_record": { - "m": 2.47627, - "sigma": 3.65909, - "epsilon_k": 319.33999, - "mu": 1.9, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "molarweight": 16.031, - "model_record": { - "m": 1.0, - "sigma": 3.70051, - "epsilon_k": 150.07147 - } - }, - { - "identifier": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "molarweight": 256.24, - "model_record": { - "m": 7.6406, - "sigma": 3.79434, - "epsilon_k": 249.10583, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "molarweight": 98.019, - "model_record": { - "m": 2.80518, - "sigma": 3.59397, - "epsilon_k": 290.92017, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "700-12-9", - "name": "pentamethylbenzene", - "iupac_name": "1,2,3,4,5-pentamethylbenzene", - "smiles": "Cc1cc(C)c(C)c(C)c1C", - "inchi": "InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3" - }, - "molarweight": 148.125, - "model_record": { - "m": 3.84094, - "sigma": 3.907, - "epsilon_k": 312.15404 - } - }, - { - "identifier": { - "cas": "25154-52-3", - "name": "nonylphenols (mixture of isomeres)", - "iupac_name": "2-nonylphenol", - "smiles": "CC(C)CC(C)CC(C)c1ccc(O)cc1", - "inchi": "InChI=1S/C15H24O/c1-11(2)9-12(3)10-13(4)14-5-7-15(16)8-6-14/h5-8,11-13,16H,9-10H2,1-4H3" - }, - "molarweight": 220.183, - "model_record": { - "m": 4.39731, - "sigma": 4.24914, - "epsilon_k": 334.03606, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "molarweight": 44.063, - "model_record": { - "m": 1.98602, - "sigma": 3.6244, - "epsilon_k": 209.08586 - } - }, - { - "identifier": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "molarweight": 137.99, - "model_record": { - "m": 2.81452, - "sigma": 3.31739, - "epsilon_k": 140.26853 - } - }, - { - "identifier": { - "cas": "148-24-3", - "name": "8-hydroxyquinoline", - "iupac_name": "quinolin-8-ol", - "smiles": "Oc1cccc2cccnc12", - "inchi": "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" - }, - "molarweight": 145.053, - "model_record": { - "m": 2.29609, - "sigma": 4.314, - "epsilon_k": 453.4343, - "kappa_ab": 0.00015, - "epsilon_k_ab": 3015.34258, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "106-30-9", - "name": "ethyl heptanoate", - "iupac_name": "ethyl heptanoate", - "smiles": "CCCCCCC(=O)OCC", - "inchi": "InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3" - }, - "molarweight": 158.131, - "model_record": { - "m": 8.04651, - "sigma": 3.05708, - "epsilon_k": 199.51212, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "molarweight": 194.115, - "model_record": { - "m": 7.80456, - "sigma": 2.94878, - "epsilon_k": 101.98846, - "kappa_ab": 0.13605, - "epsilon_k_ab": 3339.48959, - "na": 2.0, - "nb": 5.0 - } - }, - { - "identifier": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "molarweight": 100.052, - "model_record": { - "m": 3.57924, - "sigma": 3.39218, - "epsilon_k": 242.60295, - "mu": 1.67, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1795-16-0", - "name": "n-decylcyclohexane", - "iupac_name": "decylcyclohexane", - "smiles": "CCCCCCCCCCC1CCCCC1", - "inchi": "InChI=1S/C16H32/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h16H,2-15H2,1H3" - }, - "molarweight": 224.25, - "model_record": { - "m": 6.10523, - "sigma": 3.98296, - "epsilon_k": 270.33241 - } - }, - { - "identifier": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.72303, - "sigma": 3.91098, - "epsilon_k": 280.38514 - } - }, - { - "identifier": { - "cas": "110-57-6", - "name": "1,4-dichloro-trans-2-butene", - "iupac_name": "(e)-1,4-dichlorobut-2-ene", - "smiles": "ClC/C=C/CCl", - "inchi": "InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+" - }, - "molarweight": 123.985, - "model_record": { - "m": 3.83059, - "sigma": 3.33815, - "epsilon_k": 274.10452 - } - }, - { - "identifier": { - "cas": "7783-06-4", - "name": "hydrogen sulfide", - "iupac_name": "sulfane", - "smiles": "S", - "inchi": "InChI=1S/H2S/h1H2" - }, - "molarweight": 33.988, - "model_record": { - "m": 1.63175, - "sigma": 3.06168, - "epsilon_k": 227.15574, - "mu": 0.97 - } - }, - { - "identifier": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "molarweight": 132.079, - "model_record": { - "m": 4.83704, - "sigma": 3.34259, - "epsilon_k": 230.68301, - "mu": 1.8, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "4253-89-8", - "name": "diisopropyl disulfide", - "iupac_name": "2-(propan-2-yldisulfanyl)propane", - "smiles": "CC(C)SSC(C)C", - "inchi": "InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3" - }, - "molarweight": 150.054, - "model_record": { - "m": 3.86522, - "sigma": 3.83194, - "epsilon_k": 274.69812, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "103-09-3", - "name": "2-ethylhexylacetate", - "iupac_name": "2-ethylhexyl acetate", - "smiles": "CCCCC(CC)COC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3" - }, - "molarweight": 172.146, - "model_record": { - "m": 6.12871, - "sigma": 3.49249, - "epsilon_k": 226.87213, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.44236, - "sigma": 3.88527, - "epsilon_k": 243.22029 - } - }, - { - "identifier": { - "cas": "622-45-7", - "name": "cyclohexyl acetate", - "iupac_name": "cyclohexyl acetate", - "smiles": "CC(=O)OC1CCCCC1", - "inchi": "InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3" - }, - "molarweight": 142.099, - "model_record": { - "m": 4.24531, - "sigma": 3.60968, - "epsilon_k": 262.58064, - "mu": 1.92, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1679-09-0", - "name": "2-methyl-2-butyl mercaptan", - "iupac_name": "2-methylbutane-2-thiol", - "smiles": "CCC(C)(C)S", - "inchi": "InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "molarweight": 104.066, - "model_record": { - "m": 2.31874, - "sigma": 4.20535, - "epsilon_k": 296.80041, - "kappa_ab": 0.01772, - "epsilon_k_ab": 967.97722, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "molarweight": 99.105, - "model_record": { - "m": 2.6654, - "sigma": 3.93397, - "epsilon_k": 287.14191, - "mu": 0.92, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "591-93-5", - "name": "1,4-pentadiene", - "iupac_name": "penta-1,4-diene", - "smiles": "C=CCC=C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2" - }, - "molarweight": 68.063, - "model_record": { - "m": 2.54223, - "sigma": 3.68026, - "epsilon_k": 233.50921 - } - }, - { - "identifier": { - "cas": "638-53-9", - "name": "tridecanoic acid", - "iupac_name": "tridecanoic acid", - "smiles": "CCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)" - }, - "molarweight": 214.193, - "model_record": { - "m": 3.95264, - "sigma": 4.5, - "epsilon_k": 324.75921, - "kappa_ab": 0.00124, - "epsilon_k_ab": 4246.25441, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "62-75-9", - "name": "dimethylnitrosamine", - "iupac_name": "n,n-dimethylnitrous amide", - "smiles": "CN(C)N=O", - "inchi": "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3" - }, - "molarweight": 74.048, - "model_record": { - "m": 3.22747, - "sigma": 3.17249, - "epsilon_k": 264.44065, - "mu": 3.98, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "126-98-7", - "name": "methacrylonitrile", - "iupac_name": "2-methylprop-2-enenitrile", - "smiles": "C=C(C)C#N", - "inchi": "InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3" - }, - "molarweight": 67.042, - "model_record": { - "m": 2.67194, - "sigma": 3.49665, - "epsilon_k": 247.41785, - "mu": 3.69, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "molarweight": 70.078, - "model_record": { - "m": 2.6183, - "sigma": 3.70315, - "epsilon_k": 232.75728 - } - }, - { - "identifier": { - "cas": "506-12-7", - "name": "margarinic acid", - "iupac_name": "heptadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)" - }, - "molarweight": 270.256, - "model_record": { - "m": 7.32587, - "sigma": 3.93445, - "epsilon_k": 271.10356, - "kappa_ab": 0.00669, - "epsilon_k_ab": 3372.71486, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "3522-94-9", - "name": "2,2,5-trimethylhexane", - "iupac_name": "2,2,5-trimethylhexane", - "smiles": "CC(C)CCC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 3.79634, - "sigma": 3.9655, - "epsilon_k": 239.72328 - } - }, - { - "identifier": { - "cas": "95-68-1", - "name": "2,4-dimethylaniline", - "iupac_name": "2,4-dimethylaniline", - "smiles": "Cc1ccc(N)c(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3" - }, - "molarweight": 121.089, - "model_record": { - "m": 4.36025, - "sigma": 3.39878, - "epsilon_k": 231.05137, - "kappa_ab": 0.9, - "epsilon_k_ab": 1710.41134, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-45-2", - "name": "isoamyl formate", - "iupac_name": "3-methylbutyl formate", - "smiles": "CC(C)CCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 3.86567, - "sigma": 3.56068, - "epsilon_k": 244.81321, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "628-80-8", - "name": "methyl pentyl ether", - "iupac_name": "1-methoxypentane", - "smiles": "CCCCCOC", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.43666, - "sigma": 3.70442, - "epsilon_k": 242.76196, - "mu": 1.24, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "575-43-9", - "name": "1,6-dimethyl naphthalene", - "iupac_name": "1,6-dimethylnaphthalene", - "smiles": "Cc1ccc2c(C)cccc2c1", - "inchi": "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3" - }, - "molarweight": 156.094, - "model_record": { - "m": 3.57578, - "sigma": 3.97739, - "epsilon_k": 348.07598 - } - }, - { - "identifier": { - "cas": "462-94-2", - "name": "1,5-diaminopentane", - "iupac_name": "pentane-1,5-diamine", - "smiles": "NCCCCCN", - "inchi": "InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2" - }, - "molarweight": 102.116, - "model_record": { - "m": 3.53263, - "sigma": 3.4551, - "epsilon_k": 111.12223, - "kappa_ab": 0.13041, - "epsilon_k_ab": 2493.83639, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "538-68-1", - "name": "pentylbenzene", - "iupac_name": "pentylbenzene", - "smiles": "CCCCCc1ccccc1", - "inchi": "InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3" - }, - "molarweight": 148.125, - "model_record": { - "m": 4.12735, - "sigma": 3.86451, - "epsilon_k": 280.97538 - } - }, - { - "identifier": { - "cas": "3296-50-2", - "name": "trans-octahydro-1h-indene", - "iupac_name": "(3ar,7ar)-2,3,3a,4,5,6,7,7a-octahydro-1h-indene", - "smiles": "C1CC[C@H]2CCC[C@@H]2C1", - "inchi": "InChI=1/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9-/s2" - }, - "molarweight": 124.125, - "model_record": { - "m": 2.96329, - "sigma": 4.06341, - "epsilon_k": 308.09592 - } - }, - { - "identifier": { - "cas": "791616-87-0", - "name": "trans-1,1,1,3-tetrafluoro-2-butene", - "iupac_name": "(e)-1,1,1,3-tetrafluorobut-2-ene", - "smiles": "C/C(F)=C\\C(F)(F)F", - "inchi": "InChI=1S/C4H4F4/c1-3(5)2-4(6,7)8/h2H,1H3/b3-2+" - }, - "molarweight": 128.025, - "model_record": { - "m": 3.50151, - "sigma": 3.36008, - "epsilon_k": 186.39573 - } - }, - { - "identifier": { - "cas": "106-58-1", - "name": "1,4-dimethyl piperazine", - "iupac_name": "1,4-dimethylpiperazine", - "smiles": "CN1CCN(C)CC1", - "inchi": "InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3" - }, - "molarweight": 114.116, - "model_record": { - "m": 3.29915, - "sigma": 3.78633, - "epsilon_k": 270.94696, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "112-14-1", - "name": "octyl acetate", - "iupac_name": "octyl acetate", - "smiles": "CCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3" - }, - "molarweight": 172.146, - "model_record": { - "m": 5.69964, - "sigma": 3.61086, - "epsilon_k": 241.21798, - "mu": 1.84, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "111-25-1", - "name": "1-bromohexane", - "iupac_name": "1-bromohexane", - "smiles": "CCCCCCBr", - "inchi": "InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "molarweight": 164.02, - "model_record": { - "m": 3.78552, - "sigma": 3.68502, - "epsilon_k": 266.43784 - } - }, - { - "identifier": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.28923, - "sigma": 4.03598, - "epsilon_k": 284.60132 - } - }, - { - "identifier": { - "cas": "61868-02-8", - "name": "2,3-dimethylhexadecane", - "smiles": "CCCCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C18H38/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(4)17(2)3/h17-18H,5-16H2,1-4H3" - }, - "molarweight": 254.297, - "model_record": { - "m": 6.39318, - "sigma": 4.14452, - "epsilon_k": 268.71914 - } - }, - { - "identifier": { - "cas": "95-13-6", - "name": "indene", - "iupac_name": "1h-indene", - "smiles": "C1=Cc2ccccc2C1", - "inchi": "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" - }, - "molarweight": 116.063, - "model_record": { - "m": 3.02043, - "sigma": 3.78545, - "epsilon_k": 327.51113 - } - }, - { - "identifier": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "molarweight": 78.014, - "model_record": { - "m": 3.06947, - "sigma": 3.22537, - "epsilon_k": 306.96339, - "mu": 3.96, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "104-78-9", - "name": "n,n-diethyl-1,3-diaminopropane", - "iupac_name": "n',n'-diethylpropane-1,3-diamine", - "smiles": "CCN(CC)CCCN", - "inchi": "InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3" - }, - "molarweight": 130.147, - "model_record": { - "m": 2.51676, - "sigma": 4.5, - "epsilon_k": 335.01997, - "kappa_ab": 0.00058, - "epsilon_k_ab": 2179.57906, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "583-48-2", - "name": "3,4-dimethylhexane", - "iupac_name": "3,4-dimethylhexane", - "smiles": "CCC(C)C(C)CC", - "inchi": "InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.37726, - "sigma": 3.95478, - "epsilon_k": 254.10125 - } - }, - { - "identifier": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "molarweight": 84.058, - "model_record": { - "m": 2.73623, - "sigma": 3.55072, - "epsilon_k": 297.20182, - "mu": 3.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "molarweight": 82.078, - "model_record": { - "m": 2.25901, - "sigma": 3.90709, - "epsilon_k": 301.81613 - } - }, - { - "identifier": { - "cas": "491-35-0", - "name": "4-methylquinoline", - "iupac_name": "4-methylquinoline", - "smiles": "Cc1ccnc2ccccc12", - "inchi": "InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3" - }, - "molarweight": 143.073, - "model_record": { - "m": 3.62131, - "sigma": 3.75749, - "epsilon_k": 351.77565, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "100-00-5", - "name": "4-chloronitrobenzene", - "iupac_name": "1-chloro-4-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" - }, - "molarweight": 156.993, - "model_record": { - "m": 3.31906, - "sigma": 3.68458, - "epsilon_k": 349.13793, - "mu": 2.83, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "105-70-4", - "name": "acetic acid 3-acetoxy-2-hydroxypropyl ester", - "iupac_name": "(3-acetyloxy-2-hydroxypropyl) acetate", - "smiles": "CC(=O)OCC(O)COC(C)=O", - "inchi": "InChI=1S/C7H12O5/c1-5(8)11-3-7(10)4-12-6(2)9/h7,10H,3-4H2,1-2H3" - }, - "molarweight": 176.068, - "model_record": { - "m": 2.34395, - "sigma": 4.5, - "epsilon_k": 280.70672, - "kappa_ab": 0.00042, - "epsilon_k_ab": 5000.0, - "na": 1.0, - "nb": 5.0 - } - }, - { - "identifier": { - "cas": "101882-67-1", - "name": "2,4,6-trimethylpentadecane", - "smiles": "CCCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C18H38/c1-6-7-8-9-10-11-12-13-17(4)15-18(5)14-16(2)3/h16-18H,6-15H2,1-5H3" - }, - "molarweight": 254.297, - "model_record": { - "m": 8.50162, - "sigma": 3.72854, - "epsilon_k": 224.77463 - } - }, - { - "identifier": { - "cas": "97-62-1", - "name": "ethyl isobutyrate", - "iupac_name": "ethyl 2-methylpropanoate", - "smiles": "CCOC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 3.99067, - "sigma": 3.52027, - "epsilon_k": 230.4731, - "mu": 2.07, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "64-67-5", - "name": "sulfuric acid,diethyl ester", - "iupac_name": "diethyl sulfate", - "smiles": "CCOS(=O)(=O)OCC", - "inchi": "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3" - }, - "molarweight": 154.03, - "model_record": { - "m": 4.16948, - "sigma": 3.53053, - "epsilon_k": 277.09201, - "mu": 4.41, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "molarweight": 87.068, - "model_record": { - "m": 2.8418, - "sigma": 3.54793, - "epsilon_k": 216.28112, - "kappa_ab": 0.01161, - "epsilon_k_ab": 3121.70164, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "3073-66-3", - "name": "1,1,3-trimethylcyclohexane", - "iupac_name": "1,1,3-trimethylcyclohexane", - "smiles": "CC1CCCC(C)(C)C1", - "inchi": "InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3" - }, - "molarweight": 126.141, - "model_record": { - "m": 3.02181, - "sigma": 4.16813, - "epsilon_k": 283.1046 - } - }, - { - "identifier": { - "cas": "132-64-9", - "name": "dibenzo[b,d]furan", - "iupac_name": "dibenzofuran", - "smiles": "c1ccc2c(c1)oc1ccccc12", - "inchi": "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" - }, - "molarweight": 168.058, - "model_record": { - "m": 3.63411, - "sigma": 3.88426, - "epsilon_k": 359.94237, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "molarweight": 102.068, - "model_record": { - "m": 3.90764, - "sigma": 3.37142, - "epsilon_k": 229.26569, - "mu": 1.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "111-26-2", - "name": "hexylamine", - "iupac_name": "hexan-1-amine", - "smiles": "CCCCCCN", - "inchi": "InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3" - }, - "molarweight": 101.12, - "model_record": { - "m": 3.6788, - "sigma": 3.58319, - "epsilon_k": 170.4449, - "kappa_ab": 0.38457, - "epsilon_k_ab": 2222.44907, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "762-04-9", - "name": "diethoxy(oxo)phosphanium", - "iupac_name": "diethoxy(oxo)phosphanium", - "smiles": "CCO[PH](=O)OCC", - "inchi": "InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3" - }, - "molarweight": 138.045, - "model_record": { - "m": 4.16892, - "sigma": 3.49066, - "epsilon_k": 276.25483, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "542-52-9", - "name": "dibutylcarbonate", - "iupac_name": "dibutyl carbonate", - "smiles": "CCCCOC(=O)OCCCC", - "inchi": "InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 174.126, - "model_record": { - "m": 5.66524, - "sigma": 3.55425, - "epsilon_k": 239.76774, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "2163-42-0", - "name": "2-methyl-1,3-propanediol", - "iupac_name": "2-methylpropane-1,3-diol", - "smiles": "CC(CO)CO", - "inchi": "InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3" - }, - "molarweight": 90.068, - "model_record": { - "m": 1.53927, - "sigma": 4.5, - "epsilon_k": 393.91842, - "kappa_ab": 0.00428, - "epsilon_k_ab": 2597.23233, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "88-74-4", - "name": "o-nitroaniline", - "iupac_name": "2-nitroaniline", - "smiles": "Nc1ccccc1[N+](=O)[O-]", - "inchi": "InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2" - }, - "molarweight": 138.043, - "model_record": { - "m": 1.79764, - "sigma": 4.5, - "epsilon_k": 353.48273, - "kappa_ab": 0.00412, - "epsilon_k_ab": 4098.0265, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.60365, - "sigma": 3.49505, - "epsilon_k": 234.09757, - "mu": 1.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "91-66-7", - "name": "n,n-diethylaniline", - "iupac_name": "n,n-diethylaniline", - "smiles": "CCN(CC)c1ccccc1", - "inchi": "InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" - }, - "molarweight": 149.12, - "model_record": { - "m": 4.70064, - "sigma": 3.58316, - "epsilon_k": 272.82253, - "mu": 1.81, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 4.3188, - "sigma": 3.79721, - "epsilon_k": 241.29275 - } - }, - { - "identifier": { - "cas": "3172-52-9", - "name": "2,5-dichlorothiophene", - "iupac_name": "2,5-dichlorothiophene", - "smiles": "Clc1ccc(Cl)s1", - "inchi": "InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H" - }, - "molarweight": 151.925, - "model_record": { - "m": 2.20194, - "sigma": 4.08138, - "epsilon_k": 376.82437, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "61868-05-1", - "name": "2,4-dimethyltridecane", - "iupac_name": "2,4-dimethyltridecane", - "smiles": "CCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C15H32/c1-5-6-7-8-9-10-11-12-15(4)13-14(2)3/h14-15H,5-13H2,1-4H3" - }, - "molarweight": 212.25, - "model_record": { - "m": 6.75634, - "sigma": 3.81942, - "epsilon_k": 236.85279 - } - }, - { - "identifier": { - "cas": "100-01-6", - "name": "p-nitroaniline", - "iupac_name": "4-nitroaniline", - "smiles": "Nc1ccc([N+](=O)[O-])cc1", - "inchi": "InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2" - }, - "molarweight": 138.043, - "model_record": { - "m": 11.0606, - "sigma": 2.17166, - "epsilon_k": 144.01604, - "kappa_ab": 0.42541, - "epsilon_k_ab": 4530.69897, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "149-74-6", - "name": "dichloromethylphenylsilane", - "iupac_name": "dichloro-methyl-phenylsilane", - "smiles": "C[Si](Cl)(Cl)c1ccccc1", - "inchi": "InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 189.977, - "model_record": { - "m": 3.76993, - "sigma": 3.90967, - "epsilon_k": 295.33279, - "mu": 2.4 - } - }, - { - "identifier": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "molarweight": 154.136, - "model_record": { - "m": 3.44681, - "sigma": 4.05947, - "epsilon_k": 290.23997, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "3178-22-1", - "name": "tert-butylcyclohexane", - "iupac_name": "tert-butylcyclohexane", - "smiles": "CC(C)(C)C1CCCCC1", - "inchi": "InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3" - }, - "molarweight": 140.157, - "model_record": { - "m": 3.53263, - "sigma": 4.062, - "epsilon_k": 281.9821 - } - }, - { - "identifier": { - "cas": "108-43-0", - "name": "m-chlorophenol", - "iupac_name": "3-chlorophenol", - "smiles": "Oc1cccc(Cl)c1", - "inchi": "InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H" - }, - "molarweight": 128.003, - "model_record": { - "m": 4.2094, - "sigma": 3.23742, - "epsilon_k": 297.57927, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2595.28048, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "4766-57-8", - "name": "butyl silicate", - "iupac_name": "tetrabutyl silicate", - "smiles": "CCCCO[Si](OCCCC)(OCCCC)OCCCC", - "inchi": "InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3" - }, - "molarweight": 320.238, - "model_record": { - "m": 8.72335, - "sigma": 3.83155, - "epsilon_k": 219.75001, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "628-32-0", - "name": "ethyl propyl ether", - "iupac_name": "1-ethoxypropane", - "smiles": "CCCOCC", - "inchi": "InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3" - }, - "molarweight": 88.089, - "model_record": { - "m": 3.26608, - "sigma": 3.60144, - "epsilon_k": 226.16461, - "mu": 1.2, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-87-6", - "name": "2,2,2-trichloroacetaldehyde", - "iupac_name": "2,2,2-trichloroacetaldehyde", - "smiles": "O=CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" - }, - "molarweight": 145.909, - "model_record": { - "m": 3.4748, - "sigma": 3.31851, - "epsilon_k": 245.55778, - "mu": 1.96, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "molarweight": 68.063, - "model_record": { - "m": 2.56843, - "sigma": 3.66691, - "epsilon_k": 245.81166 - } - }, - { - "identifier": { - "cas": "573-98-8", - "name": "1,2-dimethyl naphthalene", - "iupac_name": "1,2-dimethylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1C", - "inchi": "InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3" - }, - "molarweight": 156.094, - "model_record": { - "m": 4.2626, - "sigma": 3.71946, - "epsilon_k": 319.08892 - } - }, - { - "identifier": { - "cas": "625-82-1", - "name": "2,4-dimethylpyrrole", - "iupac_name": "2,4-dimethyl-1h-pyrrole", - "smiles": "Cc1c[nH]c(C)c1", - "inchi": "InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3" - }, - "molarweight": 95.073, - "model_record": { - "m": 4.57531, - "sigma": 3.13061, - "epsilon_k": 255.59742 - } - }, - { - "identifier": { - "cas": "106-48-9", - "name": "p-chlorophenol", - "iupac_name": "4-chlorophenol", - "smiles": "Oc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H" - }, - "molarweight": 128.003, - "model_record": { - "m": 4.02111, - "sigma": 3.28122, - "epsilon_k": 307.72879, - "kappa_ab": 0.00131, - "epsilon_k_ab": 1954.29949, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "molarweight": 138.104, - "model_record": { - "m": 3.53258, - "sigma": 3.91577, - "epsilon_k": 306.08567, - "mu": 4.02, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7727-18-6", - "name": "vanadium oxytrichloride", - "iupac_name": "oxovanadium;trihydrochloride", - "smiles": "Cl.Cl.Cl.[O].[V]", - "inchi": "InChI=1S/3ClH.O.V/h3*1H;;" - }, - "molarweight": 173.872, - "model_record": { - "m": 2.0354, - "sigma": 4.17481, - "epsilon_k": 361.33363 - } - }, - { - "identifier": { - "cas": "1589-47-5", - "name": "2-methoxy-1-propanol", - "iupac_name": "2-methoxypropan-1-ol", - "smiles": "COC(C)CO", - "inchi": "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" - }, - "molarweight": 90.068, - "model_record": { - "m": 1.56677, - "sigma": 4.5, - "epsilon_k": 406.60448, - "kappa_ab": 0.00064, - "epsilon_k_ab": 2213.11166, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "13353-03-2", - "name": "trimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxy)methane", - "smiles": "COCOCOCOC", - "inchi": "InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3" - }, - "molarweight": 136.074, - "model_record": { - "m": 4.45025, - "sigma": 3.41506, - "epsilon_k": 246.35208, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "2741-16-4", - "name": "isopropyl phenyl ether", - "iupac_name": "propan-2-yloxybenzene", - "smiles": "CC(C)Oc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "molarweight": 136.089, - "model_record": { - "m": 4.21206, - "sigma": 3.60633, - "epsilon_k": 265.38824, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "3721-95-7", - "name": "cyclobutanecarboxylic acid", - "iupac_name": "cyclobutanecarboxylic acid", - "smiles": "O=C(O)C1CCC1", - "inchi": "InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)" - }, - "molarweight": 100.052, - "model_record": { - "m": 2.59068, - "sigma": 3.79229, - "epsilon_k": 364.92074, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3742.27779, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "629-33-4", - "name": "hexyl formate", - "iupac_name": "hexyl formate", - "smiles": "CCCCCCOC=O", - "inchi": "InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.56086, - "sigma": 3.5112, - "epsilon_k": 241.13387, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "molarweight": 178.078, - "model_record": { - "m": 3.53516, - "sigma": 4.06139, - "epsilon_k": 400.53252 - } - }, - { - "identifier": { - "cas": "594-27-4", - "name": "tetramethylstannane", - "iupac_name": "tetramethylstannane", - "smiles": "[CH3].[CH3].[CH3].[CH3].[Sn]", - "inchi": "InChI=1S/4CH3.Sn/h4*1H3;" - }, - "molarweight": 179.996, - "model_record": { - "m": 3.02546, - "sigma": 3.89123, - "epsilon_k": 243.61374 - } - }, - { - "identifier": { - "cas": "1704-62-7", - "name": "2-(2-dimethylaminoethoxy) ethanol", - "iupac_name": "2-[2-(dimethylamino)ethoxy]ethanol", - "smiles": "CN(C)CCOCCO", - "inchi": "InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3" - }, - "molarweight": 133.11, - "model_record": { - "m": 3.4613, - "sigma": 3.86302, - "epsilon_k": 273.67447, - "kappa_ab": 0.01691, - "epsilon_k_ab": 2065.41029, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "4351-54-6", - "name": "cyclohexyl formate", - "iupac_name": "cyclohexyl formate", - "smiles": "O=COC1CCCCC1", - "inchi": "InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "molarweight": 128.084, - "model_record": { - "m": 3.54693, - "sigma": 3.67959, - "epsilon_k": 283.4585, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "95-51-2", - "name": "o-chloroaniline", - "iupac_name": "2-chloroaniline", - "smiles": "Nc1ccccc1Cl", - "inchi": "InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2" - }, - "molarweight": 127.019, - "model_record": { - "m": 3.40311, - "sigma": 3.54342, - "epsilon_k": 320.82138, - "kappa_ab": 0.9, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7646-78-8", - "name": "tin tetrachloride", - "iupac_name": "tetrachlorostannane", - "smiles": "[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4]", - "inchi": "InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4" - }, - "molarweight": 259.778, - "model_record": { - "m": 2.97298, - "sigma": 3.75769, - "epsilon_k": 277.72523 - } - }, - { - "identifier": { - "cas": "105-57-7", - "name": "1,1-diethoxyethane", - "iupac_name": "1,1-diethoxyethane", - "smiles": "CCOC(C)OCC", - "inchi": "InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3" - }, - "molarweight": 118.099, - "model_record": { - "m": 3.89986, - "sigma": 3.61852, - "epsilon_k": 228.5141, - "mu": 1.38, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1112-39-6", - "name": "dimethyldimethoxysilane", - "iupac_name": "dimethoxy(dimethyl)silane", - "smiles": "CO[Si](C)(C)OC", - "inchi": "InChI=1S/C4H12O2Si/c1-5-7(3,4)6-2/h1-4H3" - }, - "molarweight": 120.061, - "model_record": { - "m": 3.69521, - "sigma": 3.62922, - "epsilon_k": 221.1442, - "mu": 1.31, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "647-42-7", - "name": "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octanol", - "iupac_name": "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol", - "smiles": "OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2" - }, - "molarweight": 364.013, - "model_record": { - "m": 3.3264, - "sigma": 4.5, - "epsilon_k": 259.40111, - "kappa_ab": 0.00264, - "epsilon_k_ab": 3089.3345, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7782-41-4", - "name": "fluorine", - "iupac_name": "molecular fluorine", - "smiles": "FF", - "inchi": "InChI=1S/F2/c1-2" - }, - "molarweight": 37.997, - "model_record": { - "m": 1.30208, - "sigma": 2.93343, - "epsilon_k": 99.77277, - "kappa_ab": 0.0001, - "epsilon_k_ab": 304.45243, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "molarweight": 122.037, - "model_record": { - "m": 4.69617, - "sigma": 3.17729, - "epsilon_k": 289.91378, - "kappa_ab": 0.03123, - "epsilon_k_ab": 2137.21733, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "67-47-0", - "name": "5-hydroxymethylfurfural", - "iupac_name": "5-(hydroxymethyl)furan-2-carbaldehyde", - "smiles": "O=Cc1ccc(CO)o1", - "inchi": "InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2" - }, - "molarweight": 126.032, - "model_record": { - "m": 1.6816, - "sigma": 4.5, - "epsilon_k": 426.61839, - "kappa_ab": 0.00013, - "epsilon_k_ab": 5000.0, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "13463-40-6", - "name": "iron pentacarbonyl", - "iupac_name": "carbon monoxide; iron", - "smiles": "[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]", - "inchi": "InChI=1S/5CO.Fe/c5*1-2;" - }, - "molarweight": 195.91, - "model_record": { - "m": 4.07096, - "sigma": 3.49246, - "epsilon_k": 226.32966 - } - }, - { - "identifier": { - "cas": "626-95-9", - "name": "1,4-pentanediol", - "iupac_name": "pentane-1,4-diol", - "smiles": "CC(O)CCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3" - }, - "molarweight": 104.084, - "model_record": { - "m": 5.30245, - "sigma": 3.07632, - "epsilon_k": 264.16927, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3564.96523, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "540-97-6", - "name": "dodecamethylcyclohexasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3" - }, - "molarweight": 444.113, - "model_record": { - "m": 9.1684, - "sigma": 4.03433, - "epsilon_k": 197.7153, - "mu": 1.56, - "nb": 6.0 - } - }, - { - "identifier": { - "cas": "1746-13-0", - "name": "allyl phenyl ether", - "iupac_name": "prop-2-enoxybenzene", - "smiles": "C=CCOc1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2" - }, - "molarweight": 134.073, - "model_record": { - "m": 4.14113, - "sigma": 3.57248, - "epsilon_k": 278.08668, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6765-39-5", - "name": "1-heptadecene", - "iupac_name": "heptadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3" - }, - "molarweight": 238.266, - "model_record": { - "m": 7.12672, - "sigma": 3.89934, - "epsilon_k": 252.3126 - } - }, - { - "identifier": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "molarweight": 150.089, - "model_record": { - "m": 2.30566, - "sigma": 4.5, - "epsilon_k": 387.95704, - "kappa_ab": 0.00889, - "epsilon_k_ab": 2011.71578, - "na": 2.0, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "496-11-7", - "name": "indane ", - "iupac_name": "2,3-dihydro-1h-indene", - "smiles": "c1ccc2c(c1)CCC2", - "inchi": "InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2" - }, - "molarweight": 118.078, - "model_record": { - "m": 3.45922, - "sigma": 3.66481, - "epsilon_k": 299.08758 - } - }, - { - "identifier": { - "cas": "1184-58-3", - "name": "dimethylaluminum chloride", - "iupac_name": "chloro(dimethyl)alumane", - "smiles": "[Al+].[CH3].[CH3].[Cl-]", - "inchi": "InChI=1S/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1" - }, - "molarweight": 91.997, - "model_record": { - "m": 4.24059, - "sigma": 3.05769, - "epsilon_k": 235.98067, - "mu": 1.63 - } - }, - { - "identifier": { - "cas": "7440-37-1", - "name": "argon", - "iupac_name": "argon", - "smiles": "[Ar]", - "inchi": "InChI=1S/Ar" - }, - "molarweight": 39.962, - "model_record": { - "m": 1.0, - "sigma": 3.37751, - "epsilon_k": 117.80903 - } - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "molarweight": 72.094, - "model_record": { - "m": 2.74869, - "sigma": 3.72936, - "epsilon_k": 228.73279 - } - }, - { - "identifier": { - "cas": "3497-00-5", - "name": "dichlorophenylphosphine sulfide", - "iupac_name": "dichloro-phenyl-sulfanylidene-lambda5-phosphane", - "smiles": "S=P(Cl)(Cl)c1ccccc1", - "inchi": "InChI=1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 209.923, - "model_record": { - "m": 9.36117, - "sigma": 2.78198, - "epsilon_k": 214.32883, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "354-23-4", - "name": "1,2-dichloro-1,2,2-trifluoroethane [r123a]", - "iupac_name": "1,2-dichloro-1,1,2-trifluoroethane", - "smiles": "FC(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H" - }, - "molarweight": 151.941, - "model_record": { - "m": 2.96894, - "sigma": 3.48601, - "epsilon_k": 216.07352, - "mu": 1.302 - } - }, - { - "identifier": { - "cas": "557-00-6", - "name": "propyl isovalerate", - "iupac_name": "propyl 3-methylbutanoate", - "smiles": "CCCOC(=O)CC(C)C", - "inchi": "InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3" - }, - "molarweight": 144.115, - "model_record": { - "m": 4.61344, - "sigma": 3.63893, - "epsilon_k": 238.20116, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.75975, - "sigma": 3.89614, - "epsilon_k": 277.94801 - } - }, - { - "identifier": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" - }, - "molarweight": 100.125, - "model_record": { - "m": 3.30335, - "sigma": 3.86513, - "epsilon_k": 239.35097 - } - }, - { - "identifier": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 4.05326, - "sigma": 3.50442, - "epsilon_k": 239.65009, - "mu": 1.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2040-96-2", - "name": "propylcyclopentane", - "iupac_name": "propylcyclopentane", - "smiles": "CCCC1CCCC1", - "inchi": "InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.27518, - "sigma": 3.8972, - "epsilon_k": 270.00464 - } - }, - { - "identifier": { - "cas": "4265-25-2", - "name": "2-methylbenzofuran", - "iupac_name": "2-methyl-1-benzofuran", - "smiles": "Cc1cc2ccccc2o1", - "inchi": "InChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3" - }, - "molarweight": 132.058, - "model_record": { - "m": 4.11663, - "sigma": 3.48316, - "epsilon_k": 283.51364, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6163-64-0", - "name": "methyl-tert-butylthioether", - "iupac_name": "2-methyl-2-methylsulfanylpropane", - "smiles": "CSC(C)(C)C", - "inchi": "InChI=1S/C5H12S/c1-5(2,3)6-4/h1-4H3" - }, - "molarweight": 104.066, - "model_record": { - "m": 2.77365, - "sigma": 3.92011, - "epsilon_k": 273.84587, - "mu": 1.56, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "460-19-5", - "name": "cyanogen", - "iupac_name": "oxalonitrile", - "smiles": "N#CC#N", - "inchi": "InChI=1S/C2N2/c3-1-2-4" - }, - "molarweight": 52.006, - "model_record": { - "m": 2.89306, - "sigma": 2.85606, - "epsilon_k": 191.09911, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2306-88-9", - "name": "octanoic acid octyl ester", - "iupac_name": "octyl octanoate", - "smiles": "CCCCCCCCOC(=O)CCCCCCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "molarweight": 256.24, - "model_record": { - "m": 8.51851, - "sigma": 3.61554, - "epsilon_k": 236.49909, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "29072-93-3", - "name": "1,1-dimethyl-1-propoxy ethane", - "iupac_name": "2-methyl-2-propoxypropane", - "smiles": "CCCOC(C)(C)C", - "inchi": "InChI=1S/C7H16O/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3" - }, - "molarweight": 116.12, - "model_record": { - "m": 3.68606, - "sigma": 3.77901, - "epsilon_k": 229.97117, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "molarweight": 89.084, - "model_record": { - "m": 1.6332, - "sigma": 4.5, - "epsilon_k": 368.69906, - "kappa_ab": 0.00422, - "epsilon_k_ab": 2042.55721, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1067-53-4", - "name": "tris(methoxyethoxy)vinylsilane", - "iupac_name": "ethenyl-tris(2-methoxyethoxy)silane", - "smiles": "C=C[Si](OCCOC)(OCCOC)OCCOC", - "inchi": "InChI=1S/C11H24O6Si/c1-5-18(15-9-6-12-2,16-10-7-13-3)17-11-8-14-4/h5H,1,6-11H2,2-4H3" - }, - "molarweight": 280.134, - "model_record": { - "m": 7.814, - "sigma": 3.61399, - "epsilon_k": 234.69974, - "nb": 6.0 - } - }, - { - "identifier": { - "cas": "7782-44-7", - "name": "oxygen", - "iupac_name": "molecular oxygen", - "smiles": "O=O", - "inchi": "InChI=1S/O2/c1-2" - }, - "molarweight": 31.99, - "model_record": { - "m": 1.14702, - "sigma": 3.17933, - "epsilon_k": 113.62724, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "91-23-6", - "name": "2-methoxynitrobenzene", - "iupac_name": "1-methoxy-2-nitrobenzene", - "smiles": "COc1ccccc1[N+](=O)[O-]", - "inchi": "InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3" - }, - "molarweight": 153.043, - "model_record": { - "m": 10.40539, - "sigma": 2.51391, - "epsilon_k": 216.23416, - "mu": 4.83, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.43167, - "sigma": 3.58615, - "epsilon_k": 277.28095, - "mu": 1.68, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6920-22-5", - "name": "1,2-hexanediol", - "iupac_name": "hexane-1,2-diol", - "smiles": "CCCCC(O)CO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3" - }, - "molarweight": 118.099, - "model_record": { - "m": 3.29109, - "sigma": 3.81743, - "epsilon_k": 260.60215, - "kappa_ab": 0.0186, - "epsilon_k_ab": 2347.36976, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 104.084, - "model_record": { - "m": 1.8659, - "sigma": 4.5, - "epsilon_k": 345.81026, - "kappa_ab": 0.00651, - "epsilon_k_ab": 1946.49128, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "95-15-8", - "name": "benzo(b)thiophene", - "iupac_name": "1-benzothiophene", - "smiles": "c1ccc2sccc2c1", - "inchi": "InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H" - }, - "molarweight": 134.019, - "model_record": { - "m": 2.94649, - "sigma": 3.82447, - "epsilon_k": 363.07399, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "630-02-4", - "name": "octacosane", - "iupac_name": "octacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" - }, - "molarweight": 394.454, - "model_record": { - "m": 11.85246, - "sigma": 3.88288, - "epsilon_k": 248.46039 - } - }, - { - "identifier": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "molarweight": 56.063, - "model_record": { - "m": 2.39076, - "sigma": 3.55752, - "epsilon_k": 225.86263 - } - }, - { - "identifier": { - "cas": "103-11-7", - "name": "2-ethylhexyl acrylate", - "iupac_name": "2-ethylhexyl prop-2-enoate", - "smiles": "C=CC(=O)OCC(CC)CCCC", - "inchi": "InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3" - }, - "molarweight": 184.146, - "model_record": { - "m": 4.56886, - "sigma": 3.98014, - "epsilon_k": 272.06264, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "17071-47-5", - "name": "butyl isobutyl ether", - "iupac_name": "1-(2-methylpropoxy)butane", - "smiles": "CCCCOCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 3.78278, - "sigma": 3.9131, - "epsilon_k": 247.26123, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "10024-97-2", - "name": "dinitrogen monoxide", - "iupac_name": "nitrous oxide", - "smiles": "[N-]=[N+]=O", - "inchi": "InChI=1S/N2O/c1-2-3" - }, - "molarweight": 44.001, - "model_record": { - "m": 2.14378, - "sigma": 2.76991, - "epsilon_k": 168.52257, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "25117-34-4", - "name": "5-methylhexadecane", - "iupac_name": "5-methylhexadecane", - "smiles": "CCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C17H36/c1-4-6-8-9-10-11-12-13-14-16-17(3)15-7-5-2/h17H,4-16H2,1-3H3" - }, - "molarweight": 240.282, - "model_record": { - "m": 5.98105, - "sigma": 4.16851, - "epsilon_k": 269.29863 - } - }, - { - "identifier": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "molarweight": 62.019, - "model_record": { - "m": 2.26319, - "sigma": 3.45771, - "epsilon_k": 265.28425, - "mu": 1.5, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "30673-36-0", - "name": "decanoic acid butyl ester", - "iupac_name": "butyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCCCC", - "inchi": "InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3" - }, - "molarweight": 228.209, - "model_record": { - "m": 6.82014, - "sigma": 3.77288, - "epsilon_k": 248.81426, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "107-16-4", - "name": "hydroxy acetonitrile", - "iupac_name": "2-hydroxyacetonitrile", - "smiles": "N#CCO", - "inchi": "InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2" - }, - "molarweight": 57.021, - "model_record": { - "m": 1.0, - "sigma": 4.1806, - "epsilon_k": 268.76807, - "kappa_ab": 0.00288, - "epsilon_k_ab": 4833.4376, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "338-75-0", - "name": "1,2-dichloro-3,3,3-trifluoropropane", - "iupac_name": "2,3-dichloro-1,1,1-trifluoropropane", - "smiles": "FC(F)(F)C(Cl)CCl", - "inchi": "InChI=1S/C3H3Cl2F3/c4-1-2(5)3(6,7)8/h2H,1H2" - }, - "molarweight": 165.956, - "model_record": { - "m": 1.68755, - "sigma": 4.48583, - "epsilon_k": 341.32055 - } - }, - { - "identifier": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "molarweight": 74.037, - "model_record": { - "m": 2.9603, - "sigma": 3.1356, - "epsilon_k": 261.25062, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "molarweight": 121.089, - "model_record": { - "m": 3.86662, - "sigma": 3.60726, - "epsilon_k": 274.64949, - "mu": 2.04, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "102-09-0", - "name": "diphenyl carbonate", - "iupac_name": "diphenyl carbonate", - "smiles": "O=C(Oc1ccccc1)Oc1ccccc1", - "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 214.063, - "model_record": { - "m": 5.99901, - "sigma": 3.51198, - "epsilon_k": 288.57293, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "105-59-9", - "name": "methyldiethanolamine (mdea)", - "iupac_name": "2-[2-hydroxyethyl(methyl)amino]ethanol", - "smiles": "CN(CCO)CCO", - "inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3" - }, - "molarweight": 119.095, - "model_record": { - "m": 2.23789, - "sigma": 4.31149, - "epsilon_k": 355.96367, - "kappa_ab": 0.01103, - "epsilon_k_ab": 2001.90542, - "na": 2.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "105-05-5", - "name": "1,4-diethylbenzene", - "iupac_name": "1,4-diethylbenzene", - "smiles": "CCc1ccc(CC)cc1", - "inchi": "InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.71522, - "sigma": 3.86705, - "epsilon_k": 285.90121 - } - }, - { - "identifier": { - "cas": "626-93-7", - "name": "2-hexanol", - "iupac_name": "hexan-2-ol", - "smiles": "CCCCC(C)O", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.29456, - "sigma": 3.76233, - "epsilon_k": 257.5694, - "kappa_ab": 0.00421, - "epsilon_k_ab": 2559.58388, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "25117-24-2", - "name": "4-methyltetradecane", - "iupac_name": "4-methyltetradecane", - "smiles": "CCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-14-15(3)13-5-2/h15H,4-14H2,1-3H3" - }, - "molarweight": 212.25, - "model_record": { - "m": 5.53274, - "sigma": 4.11005, - "epsilon_k": 265.64443 - } - }, - { - "identifier": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "molarweight": 59.073, - "model_record": { - "m": 2.36556, - "sigma": 3.60913, - "epsilon_k": 225.80738, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "544-13-8", - "name": "glutaronitrile", - "iupac_name": "pentanedinitrile", - "smiles": "N#CCCCC#N", - "inchi": "InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2" - }, - "molarweight": 94.053, - "model_record": { - "m": 2.88773, - "sigma": 3.68295, - "epsilon_k": 405.30914, - "mu": 3.9, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.13984, - "sigma": 4.08786, - "epsilon_k": 249.78239 - } - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 86.11, - "model_record": { - "m": 3.06506, - "sigma": 3.79083, - "epsilon_k": 236.46956 - } - }, - { - "identifier": { - "cas": "104-57-4", - "name": "benzyl formate", - "iupac_name": "benzyl formate", - "smiles": "O=COCc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2" - }, - "molarweight": 136.052, - "model_record": { - "m": 3.90855, - "sigma": 3.55946, - "epsilon_k": 296.68471, - "mu": 1.84, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "molarweight": 120.025, - "model_record": { - "m": 3.06974, - "sigma": 3.59202, - "epsilon_k": 375.45722, - "mu": 4.68, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "7783-29-1", - "name": "n-tetrasilane", - "iupac_name": "disilanyl-silylsilane", - "smiles": "[SiH3][SiH2][SiH2][SiH3]", - "inchi": "InChI=1S/H10Si4/c1-3-4-2/h3-4H2,1-2H3" - }, - "molarweight": 121.986, - "model_record": { - "m": 3.21729, - "sigma": 3.97909, - "epsilon_k": 254.40912 - } - }, - { - "identifier": { - "cas": "26730-95-0", - "name": "5-methylheptadecane", - "iupac_name": "5-methylheptadecane", - "smiles": "CCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C18H38/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2/h18H,4-17H2,1-3H3" - }, - "molarweight": 254.297, - "model_record": { - "m": 5.92793, - "sigma": 4.26315, - "epsilon_k": 276.56135 - } - }, - { - "identifier": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "molarweight": 142.078, - "model_record": { - "m": 3.32063, - "sigma": 3.92788, - "epsilon_k": 350.47285 - } - }, - { - "identifier": { - "cas": "628-99-9", - "name": "2-nonanol", - "iupac_name": "nonan-2-ol", - "smiles": "CCCCCCCC(C)O", - "inchi": "InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3" - }, - "molarweight": 144.151, - "model_record": { - "m": 4.45139, - "sigma": 3.80999, - "epsilon_k": 258.72501, - "kappa_ab": 0.00297, - "epsilon_k_ab": 2649.9291, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "583-53-9", - "name": "o-dibromobenzene", - "iupac_name": "1,2-dibromobenzene", - "smiles": "Brc1ccccc1Br", - "inchi": "InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "molarweight": 233.868, - "model_record": { - "m": 3.41557, - "sigma": 3.66801, - "epsilon_k": 334.09398 - } - }, - { - "identifier": { - "cas": "98-87-3", - "name": "benzylidene chloride", - "iupac_name": "dichloromethylbenzene", - "smiles": "ClC(Cl)c1ccccc1", - "inchi": "InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H" - }, - "molarweight": 159.985, - "model_record": { - "m": 3.52642, - "sigma": 3.70955, - "epsilon_k": 313.13603, - "mu": 2.03 - } - }, - { - "identifier": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "molarweight": 120.094, - "model_record": { - "m": 3.5272, - "sigma": 3.78375, - "epsilon_k": 283.77403 - } - }, - { - "identifier": { - "cas": "109-78-4", - "name": "ethylene cyanohydrin", - "iupac_name": "3-hydroxypropanenitrile", - "smiles": "N#CCCO", - "inchi": "InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2" - }, - "molarweight": 71.037, - "model_record": { - "m": 1.24348, - "sigma": 4.40997, - "epsilon_k": 550.0, - "kappa_ab": 0.00275, - "epsilon_k_ab": 2642.77281, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "585-07-9", - "name": "tert-butyl methacrylate", - "iupac_name": "tert-butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC(C)(C)C", - "inchi": "InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3" - }, - "molarweight": 142.099, - "model_record": { - "m": 3.99873, - "sigma": 3.79106, - "epsilon_k": 242.92548, - "mu": 1.95, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1574-41-0", - "name": "cis-1,3-pentadiene", - "iupac_name": "(3z)-penta-1,3-diene", - "smiles": "C=C/C=C\\C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-" - }, - "molarweight": 68.063, - "model_record": { - "m": 2.68462, - "sigma": 3.58773, - "epsilon_k": 241.67846 - } - }, - { - "identifier": { - "cas": "96-18-4", - "name": "1,2,3-trichloropropane", - "iupac_name": "1,2,3-trichloropropane", - "smiles": "ClCC(Cl)CCl", - "inchi": "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2" - }, - "molarweight": 145.946, - "model_record": { - "m": 5.26632, - "sigma": 2.98675, - "epsilon_k": 232.43623, - "mu": 1.6 - } - }, - { - "identifier": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "molarweight": 86.073, - "model_record": { - "m": 3.2175, - "sigma": 3.52097, - "epsilon_k": 245.29191, - "mu": 2.8, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "98-51-1", - "name": "p-tert-butyltoluene", - "iupac_name": "1-tert-butyl-4-methylbenzene", - "smiles": "Cc1ccc(C(C)(C)C)cc1", - "inchi": "InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3" - }, - "molarweight": 148.125, - "model_record": { - "m": 3.84456, - "sigma": 3.95814, - "epsilon_k": 283.89577 - } - }, - { - "identifier": { - "cas": "1838-59-1", - "name": "allyl formate", - "iupac_name": "prop-2-enyl formate", - "smiles": "C=CCOC=O", - "inchi": "InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2" - }, - "molarweight": 86.037, - "model_record": { - "m": 3.55826, - "sigma": 3.20944, - "epsilon_k": 235.35661, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2467-10-9", - "name": "1,1,1,5-tetrachloropentane", - "iupac_name": "1,1,1,5-tetrachloropentane", - "smiles": "ClCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2" - }, - "molarweight": 207.938, - "model_record": { - "m": 8.80429, - "sigma": 2.82506, - "epsilon_k": 198.11459 - } - }, - { - "identifier": { - "cas": "1071-81-4", - "name": "2,2,5,5-tetramethylhexane", - "iupac_name": "2,2,5,5-tetramethylhexane", - "smiles": "CC(C)(C)CCC(C)(C)C", - "inchi": "InChI=1S/C10H22/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3" - }, - "molarweight": 142.172, - "model_record": { - "m": 3.62094, - "sigma": 4.16831, - "epsilon_k": 252.17979 - } - }, - { - "identifier": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "molarweight": 63.962, - "model_record": { - "m": 2.69291, - "sigma": 2.73194, - "epsilon_k": 203.03892, - "mu": 1.63, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2882-97-5", - "name": "2,3-dimethylpentadecane", - "iupac_name": "2,3-dimethylpentadecane", - "smiles": "CCCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C17H36/c1-5-6-7-8-9-10-11-12-13-14-15-17(4)16(2)3/h16-17H,5-15H2,1-4H3" - }, - "molarweight": 240.282, - "model_record": { - "m": 6.05057, - "sigma": 4.14579, - "epsilon_k": 269.51654 - } - }, - { - "identifier": { - "cas": "88-72-2", - "name": "o-nitrotoluene", - "iupac_name": "1-methyl-2-nitrobenzene", - "smiles": "Cc1ccccc1[N+](=O)[O-]", - "inchi": "InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3" - }, - "molarweight": 137.048, - "model_record": { - "m": 3.60889, - "sigma": 3.60217, - "epsilon_k": 313.55931, - "mu": 3.75, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "molarweight": 46.042, - "model_record": { - "m": 2.2311, - "sigma": 3.27738, - "epsilon_k": 212.16575, - "mu": 1.3, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "molarweight": 59.073, - "model_record": { - "m": 2.9366, - "sigma": 3.28956, - "epsilon_k": 236.80068, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1610.12005, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "927-49-1", - "name": "6-undecanone", - "iupac_name": "undecan-6-one", - "smiles": "CCCCCC(=O)CCCCC", - "inchi": "InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 170.167, - "model_record": { - "m": 5.55943, - "sigma": 3.70343, - "epsilon_k": 250.98159, - "mu": 2.67, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "molarweight": 72.058, - "model_record": { - "m": 2.88452, - "sigma": 3.44627, - "epsilon_k": 240.63343, - "mu": 2.5, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "molarweight": 92.003, - "model_record": { - "m": 3.1093, - "sigma": 3.24064, - "epsilon_k": 280.40042, - "mu": 1.8, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "422-56-0", - "name": "1,1-dichloro-2,2,3,3,3-pentafluoropropane r225ca", - "iupac_name": "3,3-dichloro-1,1,1,2,2-pentafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H" - }, - "molarweight": 201.938, - "model_record": { - "m": 3.42455, - "sigma": 3.59595, - "epsilon_k": 210.6942 - } - }, - { - "identifier": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "molarweight": 153.961, - "model_record": { - "m": 2.76582, - "sigma": 3.5012, - "epsilon_k": 170.66862 - } - }, - { - "identifier": { - "cas": "2027-17-0", - "name": "2-isopropylnaphthalene", - "iupac_name": "2-propan-2-ylnaphthalene", - "smiles": "CC(C)c1ccc2ccccc2c1", - "inchi": "InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3" - }, - "molarweight": 170.11, - "model_record": { - "m": 4.28552, - "sigma": 3.87277, - "epsilon_k": 314.67125 - } - }, - { - "identifier": { - "cas": "7550-45-0", - "name": "titanium tetrachloride", - "iupac_name": "['titanium(+4) cation tetrachloride', 'tetrachlorotitanium']", - "smiles": "[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]", - "inchi": "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4" - }, - "molarweight": 187.823, - "model_record": { - "m": 2.29333, - "sigma": 4.04045, - "epsilon_k": 344.74829 - } - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.54758, - "sigma": 3.66507, - "epsilon_k": 258.93419, - "kappa_ab": 0.00722, - "epsilon_k_ab": 2509.5721, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-24-1", - "name": "trans-3,7-dimethyl-2,6-octadien-1-ol", - "iupac_name": "(2e)-3,7-dimethylocta-2,6-dien-1-ol", - "smiles": "CC(C)=CCC/C(C)=C/CO", - "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" - }, - "molarweight": 154.136, - "model_record": { - "m": 2.9082, - "sigma": 4.47039, - "epsilon_k": 337.65555, - "kappa_ab": 0.00116, - "epsilon_k_ab": 3326.92695, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1551-27-5", - "name": "2-propylthiophene", - "iupac_name": "2-propylthiophene", - "smiles": "CCCc1cccs1", - "inchi": "InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3" - }, - "molarweight": 126.05, - "model_record": { - "m": 3.12578, - "sigma": 3.85762, - "epsilon_k": 301.65007, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "609-26-7", - "name": "2-methyl-3-ethyl-pentane", - "iupac_name": "3-ethyl-2-methylpentane", - "smiles": "CCC(CC)C(C)C", - "inchi": "InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.3049, - "sigma": 3.98271, - "epsilon_k": 255.59118 - } - }, - { - "identifier": { - "cas": "91-17-8", - "name": "decalin ", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CCC2CCCCC2C1", - "inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" - }, - "molarweight": 138.141, - "model_record": { - "m": 3.24274, - "sigma": 4.07794, - "epsilon_k": 312.42132 - } - }, - { - "identifier": { - "cas": "685-63-2", - "name": "perfluoro-1,3-butadiene", - "iupac_name": "1,1,2,3,4,4-hexafluorobuta-1,3-diene", - "smiles": "FC(F)=C(F)C(F)=C(F)F", - "inchi": "InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10" - }, - "molarweight": 161.99, - "model_record": { - "m": 4.05667, - "sigma": 3.15239, - "epsilon_k": 167.30802 - } - }, - { - "identifier": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.39541, - "sigma": 3.55938, - "epsilon_k": 237.13467, - "mu": 1.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "621-70-5", - "name": "hexanoic acid 1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(hexanoyloxy)propyl hexanoate", - "smiles": "CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC", - "inchi": "InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3" - }, - "molarweight": 386.267, - "model_record": { - "m": 9.81644, - "sigma": 3.8214, - "epsilon_k": 246.04115, - "nb": 6.0 - } - }, - { - "identifier": { - "cas": "5454-79-5", - "name": "cis-3-methylcyclohexanol", - "iupac_name": "(1r,3s)-3-methylcyclohexan-1-ol", - "smiles": "C[C@H]1CCC[C@@H](O)C1", - "inchi": "InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1" - }, - "molarweight": 114.104, - "model_record": { - "m": 3.4665, - "sigma": 3.6382, - "epsilon_k": 210.29606, - "kappa_ab": 0.02251, - "epsilon_k_ab": 3482.05012, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "10486-19-8", - "name": "1-tridecanal", - "iupac_name": "tridecanal", - "smiles": "CCCCCCCCCCCCC=O", - "inchi": "InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3" - }, - "molarweight": 198.198, - "model_record": { - "m": 11.20352, - "sigma": 2.95402, - "epsilon_k": 197.98235, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1640-89-7", - "name": "ethylcyclopentane", - "iupac_name": "ethylcyclopentane", - "smiles": "CCC1CCCC1", - "inchi": "InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.86894, - "sigma": 3.89812, - "epsilon_k": 272.52263 - } - }, - { - "identifier": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "molarweight": 115.063, - "model_record": { - "m": 3.60347, - "sigma": 3.42605, - "epsilon_k": 336.6143, - "mu": 2.95, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "molarweight": 212.084, - "model_record": { - "m": 5.48446, - "sigma": 3.68053, - "epsilon_k": 306.57237, - "mu": 2.44, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "molarweight": 88.089, - "model_record": { - "m": 3.59032, - "sigma": 3.46552, - "epsilon_k": 245.26634, - "kappa_ab": 0.01039, - "epsilon_k_ab": 2356.43743, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "582-16-1", - "name": "2,7-dimethyl naphthalene", - "iupac_name": "2,7-dimethylnaphthalene", - "smiles": "Cc1ccc2ccc(C)cc2c1", - "inchi": "InChI=1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3" - }, - "molarweight": 156.094, - "model_record": { - "m": 3.80482, - "sigma": 3.90418, - "epsilon_k": 334.42007 - } - }, - { - "identifier": { - "cas": "534-15-6", - "name": "1,1-dimethoxyethane", - "iupac_name": "1,1-dimethoxyethane", - "smiles": "COC(C)OC", - "inchi": "InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3" - }, - "molarweight": 90.068, - "model_record": { - "m": 3.27833, - "sigma": 3.44454, - "epsilon_k": 228.67569, - "mu": 1.32, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "molarweight": 100.1, - "model_record": { - "m": 1.78424, - "sigma": 4.5, - "epsilon_k": 365.11248, - "kappa_ab": 0.00641, - "epsilon_k_ab": 1651.20884, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "molarweight": 249.763, - "model_record": { - "m": 2.43366, - "sigma": 3.68471, - "epsilon_k": 351.32037, - "mu": 0.99 - } - }, - { - "identifier": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "molarweight": 124.052, - "model_record": { - "m": 3.87582, - "sigma": 3.43228, - "epsilon_k": 289.66653, - "kappa_ab": 0.9, - "epsilon_k_ab": 229.79318, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "622-96-8", - "name": "1-ethyl-4-methylbenzene", - "iupac_name": "1-ethyl-4-methylbenzene", - "smiles": "CCc1ccc(C)cc1", - "inchi": "InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3" - }, - "molarweight": 120.094, - "model_record": { - "m": 3.34689, - "sigma": 3.8537, - "epsilon_k": 289.79408 - } - }, - { - "identifier": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "molarweight": 131.93, - "model_record": { - "m": 2.94212, - "sigma": 3.48388, - "epsilon_k": 283.73694, - "mu": 1.7 - } - }, - { - "identifier": { - "cas": "591-50-4", - "name": "iodobenzene", - "iupac_name": "iodobenzene", - "smiles": "Ic1ccccc1", - "inchi": "InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 203.944, - "model_record": { - "m": 2.74283, - "sigma": 3.87096, - "epsilon_k": 350.99533, - "mu": 1.7 - } - }, - { - "identifier": { - "cas": "105-99-7", - "name": "dibutyl adipate", - "iupac_name": "dibutyl hexanedioate", - "smiles": "CCCCOC(=O)CCCCC(=O)OCCCC", - "inchi": "InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 258.183, - "model_record": { - "m": 7.60694, - "sigma": 3.66819, - "epsilon_k": 251.04872, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "2315-68-6", - "name": "propyl benzoate", - "iupac_name": "propyl benzoate", - "smiles": "CCCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3" - }, - "molarweight": 164.084, - "model_record": { - "m": 4.97471, - "sigma": 3.55285, - "epsilon_k": 272.57924, - "mu": 1.83, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "591-24-2", - "name": "3-methylcyclohexanone", - "iupac_name": "3-methylcyclohexan-1-one", - "smiles": "CC1CCCC(=O)C1", - "inchi": "InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3" - }, - "molarweight": 112.089, - "model_record": { - "m": 3.19979, - "sigma": 3.75821, - "epsilon_k": 305.98719, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6291-85-6", - "name": "3-ethyloxy-propylamine", - "iupac_name": "3-ethoxypropan-1-amine", - "smiles": "CCOCCCN", - "inchi": "InChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3" - }, - "molarweight": 103.1, - "model_record": { - "m": 1.91803, - "sigma": 4.29639, - "epsilon_k": 177.66214, - "kappa_ab": 0.01182, - "epsilon_k_ab": 3321.34888, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "molarweight": 134.015, - "model_record": { - "m": 3.73837, - "sigma": 3.13295, - "epsilon_k": 181.33833, - "mu": 1.56 - } - }, - { - "identifier": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "molarweight": 118.099, - "model_record": { - "m": 4.89214, - "sigma": 3.3106, - "epsilon_k": 245.3596, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2099.19184, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "5528-43-8", - "name": "(z)-1,2,3,3,3-pentafluoropropene", - "iupac_name": "(z)-1,2,3,3,3-pentafluoroprop-1-ene", - "smiles": "F/C=C(\\F)C(F)(F)F", - "inchi": "InChI=1S/C3HF5/c4-1-2(5)3(6,7)8/h1H/b2-1-" - }, - "molarweight": 132.0, - "model_record": { - "m": 3.30351, - "sigma": 3.22025, - "epsilon_k": 170.31726 - } - }, - { - "identifier": { - "cas": "95-20-5", - "name": "2-methylindole", - "iupac_name": "2-methyl-1h-indole", - "smiles": "Cc1cc2ccccc2[nH]1", - "inchi": "InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3" - }, - "molarweight": 131.073, - "model_record": { - "m": 4.50742, - "sigma": 3.39584, - "epsilon_k": 318.98236, - "mu": 2.49 - } - }, - { - "identifier": { - "cas": "149-57-5", - "name": "2-ethyl hexanoic acid", - "iupac_name": "2-ethylhexanoic acid", - "smiles": "CCCCC(CC)C(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" - }, - "molarweight": 144.115, - "model_record": { - "m": 3.39219, - "sigma": 4.06553, - "epsilon_k": 274.86869, - "kappa_ab": 0.00982, - "epsilon_k_ab": 3471.59121, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "79-92-5", - "name": "2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane", - "iupac_name": "2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane", - "smiles": "C=C1C2CCC(C2)C1(C)C", - "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.13504, - "sigma": 4.083, - "epsilon_k": 295.51029 - } - }, - { - "identifier": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "molarweight": 165.891, - "model_record": { - "m": 3.24445, - "sigma": 3.53114, - "epsilon_k": 290.76515, - "mu": 1.32 - } - }, - { - "identifier": { - "cas": "420-12-2", - "name": "ethylene sulfide [thiirane]", - "iupac_name": "thiirane", - "smiles": "C1CS1", - "inchi": "InChI=1S/C2H4S/c1-2-3-1/h1-2H2" - }, - "molarweight": 60.003, - "model_record": { - "m": 1.96264, - "sigma": 3.4327, - "epsilon_k": 305.58153, - "mu": 1.85, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "molarweight": 214.193, - "model_record": { - "m": 6.62736, - "sigma": 3.72213, - "epsilon_k": 248.81581, - "mu": 1.7, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "590-35-2", - "name": "2,2-dimethylpentane", - "iupac_name": "2,2-dimethylpentane", - "smiles": "CCCC(C)(C)C", - "inchi": "InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3" - }, - "molarweight": 100.125, - "model_record": { - "m": 2.98758, - "sigma": 3.98975, - "epsilon_k": 244.73503 - } - }, - { - "identifier": { - "cas": "1126-79-0", - "name": "butoxybenzene", - "iupac_name": "butoxybenzene", - "smiles": "CCCCOc1ccccc1", - "inchi": "InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3" - }, - "molarweight": 150.104, - "model_record": { - "m": 3.91765, - "sigma": 3.85567, - "epsilon_k": 294.61229, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "99-91-2", - "name": "1-(4-chlorophenyl)ethanone", - "iupac_name": "1-(4-chlorophenyl)ethanone", - "smiles": "CC(=O)c1ccc(Cl)cc1", - "inchi": "InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3" - }, - "molarweight": 154.019, - "model_record": { - "m": 3.84416, - "sigma": 3.63325, - "epsilon_k": 321.73844, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "89-83-8", - "name": "thymol", - "iupac_name": "5-methyl-2-propan-2-ylphenol", - "smiles": "Cc1ccc(C(C)C)c(O)c1", - "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" - }, - "molarweight": 150.104, - "model_record": { - "m": 2.85441, - "sigma": 4.32507, - "epsilon_k": 360.79953, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3840.06338, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1757-42-2", - "name": "3-methylcyclopentanone", - "iupac_name": "3-methylcyclopentan-1-one", - "smiles": "CC1CCC(=O)C1", - "inchi": "InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3" - }, - "molarweight": 98.073, - "model_record": { - "m": 3.16271, - "sigma": 3.6008, - "epsilon_k": 282.17998, - "mu": 3.14, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "622-85-5", - "name": "phenyl propyl ether", - "iupac_name": "propoxybenzene", - "smiles": "CCCOc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3" - }, - "molarweight": 136.089, - "model_record": { - "m": 3.56248, - "sigma": 3.82761, - "epsilon_k": 298.90725, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-77-3", - "name": "diethylene glycol monomethyl ether", - "iupac_name": "2-(2-methoxyethoxy)ethanol", - "smiles": "COCCOCCO", - "inchi": "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" - }, - "molarweight": 120.079, - "model_record": { - "m": 2.18534, - "sigma": 4.30808, - "epsilon_k": 342.56292, - "kappa_ab": 0.00671, - "epsilon_k_ab": 2291.89925, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "102-71-6", - "name": "triethanolamine (tea)", - "iupac_name": "2-[bis(2-hydroxyethyl)amino]ethanol", - "smiles": "OCCN(CCO)CCO", - "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" - }, - "molarweight": 149.105, - "model_record": { - "m": 7.2131, - "sigma": 2.96742, - "epsilon_k": 189.5816, - "kappa_ab": 0.27436, - "epsilon_k_ab": 1719.88938, - "na": 3.0, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 3.93947, - "sigma": 3.8296, - "epsilon_k": 267.50639, - "kappa_ab": 0.00207, - "epsilon_k_ab": 2761.61241, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "molarweight": 43.99, - "model_record": { - "m": 2.53096, - "sigma": 2.57855, - "epsilon_k": 153.31864 - } - }, - { - "identifier": { - "cas": "590-36-3", - "name": "2-methyl-2-pentanol", - "iupac_name": "2-methylpentan-2-ol", - "smiles": "CCCC(C)(C)O", - "inchi": "InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 2.14031, - "sigma": 4.36424, - "epsilon_k": 296.86234, - "kappa_ab": 0.00201, - "epsilon_k_ab": 2806.99352, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "513-08-6", - "name": "tripropyl phosphate", - "iupac_name": "tripropyl phosphate", - "smiles": "CCCOP(=O)(OCCC)OCCC", - "inchi": "InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3" - }, - "molarweight": 224.118, - "model_record": { - "m": 6.7403, - "sigma": 3.55766, - "epsilon_k": 242.776, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "4923-91-5", - "name": "2,3-dimethylbenzo[b]thiophene", - "iupac_name": "2,3-dimethyl-1-benzothiophene", - "smiles": "Cc1sc2ccccc2c1C", - "inchi": "InChI=1S/C10H10S/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3" - }, - "molarweight": 162.05, - "model_record": { - "m": 22.87606, - "sigma": 1.98599, - "epsilon_k": 146.42599, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-97-4", - "name": "diisopropanolamine (dipa)", - "iupac_name": "1-(2-hydroxypropylamino)propan-2-ol", - "smiles": "CC(O)CNCC(C)O", - "inchi": "InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3" - }, - "molarweight": 133.11, - "model_record": { - "m": 5.52834, - "sigma": 3.2892, - "epsilon_k": 270.62013, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3117.26339, - "na": 3.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "molarweight": 86.037, - "model_record": { - "m": 2.8454, - "sigma": 3.38215, - "epsilon_k": 328.5109, - "mu": 4.11, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "111-29-5", - "name": "1,5-pentanediol", - "iupac_name": "pentane-1,5-diol", - "smiles": "OCCCCCO", - "inchi": "InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "molarweight": 104.084, - "model_record": { - "m": 2.02917, - "sigma": 4.1024, - "epsilon_k": 94.05423, - "kappa_ab": 0.01576, - "epsilon_k_ab": 3816.80105, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "molarweight": 140.157, - "model_record": { - "m": 4.42919, - "sigma": 3.86559, - "epsilon_k": 248.89256 - } - }, - { - "identifier": { - "cas": "781-17-9", - "name": "4,5,9,10-tetrahydropyrene", - "iupac_name": "4,5,9,10-tetrahydropyrene", - "smiles": "c1cc2c3c(c1)CCc1cccc(c1-3)CC2", - "inchi": "InChI=1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10H2" - }, - "molarweight": 206.11, - "model_record": { - "m": 4.09051, - "sigma": 4.04108, - "epsilon_k": 378.12121 - } - }, - { - "identifier": { - "cas": "767-59-9", - "name": "1-methylindene", - "iupac_name": "1-methyl-1h-indene", - "smiles": "CC1C=Cc2ccccc21", - "inchi": "InChI=1S/C10H10/c1-8-6-7-9-4-2-3-5-10(8)9/h2-8H,1H3" - }, - "molarweight": 130.078, - "model_record": { - "m": 4.74445, - "sigma": 3.3795, - "epsilon_k": 258.82554 - } - }, - { - "identifier": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "molarweight": 148.11, - "model_record": { - "m": 4.77164, - "sigma": 3.57337, - "epsilon_k": 229.34675, - "mu": 1.7, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "molarweight": 108.058, - "model_record": { - "m": 3.77576, - "sigma": 3.38936, - "epsilon_k": 294.84218, - "kappa_ab": 0.00958, - "epsilon_k_ab": 1593.76577, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2437-56-1", - "name": "1-tridecene", - "iupac_name": "tridec-1-ene", - "smiles": "C=CCCCCCCCCCCC", - "inchi": "InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3" - }, - "molarweight": 182.203, - "model_record": { - "m": 5.43015, - "sigma": 3.91593, - "epsilon_k": 254.54713 - } - }, - { - "identifier": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "molarweight": 100.052, - "model_record": { - "m": 3.69342, - "sigma": 3.37024, - "epsilon_k": 242.14638, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "594-91-2", - "name": "perfluoro-2-methyl-butane", - "iupac_name": "1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)butane", - "smiles": "FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C5F12/c6-1(3(9,10)11,4(12,13)14)2(7,8)5(15,16)17" - }, - "molarweight": 287.981, - "model_record": { - "m": 4.38356, - "sigma": 3.56051, - "epsilon_k": 168.85714 - } - }, - { - "identifier": { - "cas": "678-26-2", - "name": "perfluoropentane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17" - }, - "molarweight": 287.981, - "model_record": { - "m": 4.29377, - "sigma": 3.62194, - "epsilon_k": 169.55361 - } - }, - { - "identifier": { - "cas": "99-86-5", - "name": ".alpha.-terpinene", - "iupac_name": "1-methyl-4-propan-2-ylcyclohexa-1,3-diene", - "smiles": "CC1=CC=C(C(C)C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.39792, - "sigma": 4.0343, - "epsilon_k": 292.90539 - } - }, - { - "identifier": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "molarweight": 100.052, - "model_record": { - "m": 2.14449, - "sigma": 4.07412, - "epsilon_k": 348.86452, - "mu": 3.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "123-73-9", - "name": "trans-crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "C/C=C/C=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" - }, - "molarweight": 70.042, - "model_record": { - "m": 2.60416, - "sigma": 3.50343, - "epsilon_k": 261.91295, - "mu": 3.67, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "925-15-5", - "name": "dipropyl succinate", - "iupac_name": "dipropyl butanedioate", - "smiles": "CCCOC(=O)CCC(=O)OCCC", - "inchi": "InChI=1S/C10H18O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-8H2,1-2H3" - }, - "molarweight": 202.121, - "model_record": { - "m": 6.07603, - "sigma": 3.57696, - "epsilon_k": 253.63156, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "112-52-7", - "name": "1-chlorododecane", - "iupac_name": "1-chlorododecane", - "smiles": "CCCCCCCCCCCCCl", - "inchi": "InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3" - }, - "molarweight": 204.164, - "model_record": { - "m": 5.54101, - "sigma": 3.89905, - "epsilon_k": 268.55753 - } - }, - { - "identifier": { - "cas": "629-06-1", - "name": "1-chloroheptane", - "iupac_name": "1-chloroheptane", - "smiles": "CCCCCCCCl", - "inchi": "InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3" - }, - "molarweight": 134.086, - "model_record": { - "m": 3.9387, - "sigma": 3.75201, - "epsilon_k": 262.20358 - } - }, - { - "identifier": { - "cas": "13463-39-3", - "name": "nickel tetracarbonyl", - "iupac_name": "carbon monoxide; nickel", - "smiles": "[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ni]", - "inchi": "InChI=1S/4CO.Ni/c4*1-2;" - }, - "molarweight": 169.915, - "model_record": { - "m": 2.83128, - "sigma": 3.85294, - "epsilon_k": 228.27789 - } - }, - { - "identifier": { - "cas": "609-08-5", - "name": "diethyl methylmalonate", - "iupac_name": "diethyl 2-methylpropanedioate", - "smiles": "CCOC(=O)C(C)C(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3" - }, - "molarweight": 174.089, - "model_record": { - "m": 5.90828, - "sigma": 3.38548, - "epsilon_k": 233.42432, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "20063-97-2", - "name": "trans-2-decene", - "iupac_name": "(e)-dec-2-ene", - "smiles": "C/C=C/CCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3+" - }, - "molarweight": 140.157, - "model_record": { - "m": 4.51488, - "sigma": 3.81778, - "epsilon_k": 248.50777 - } - }, - { - "identifier": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "molarweight": 74.073, - "model_record": { - "m": 3.26364, - "sigma": 3.38398, - "epsilon_k": 238.57137, - "kappa_ab": 0.00677, - "epsilon_k_ab": 2370.71658, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "544-35-4", - "name": "(z,z)-9,12-octadecadienoic acid ethyl ester", - "iupac_name": "ethyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-" - }, - "molarweight": 308.272, - "model_record": { - "m": 7.18365, - "sigma": 4.11338, - "epsilon_k": 277.68382, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "molarweight": 136.125, - "model_record": { - "m": 4.24638, - "sigma": 3.80054, - "epsilon_k": 256.83703 - } - }, - { - "identifier": { - "cas": "106-68-3", - "name": "3-octanone", - "iupac_name": "octan-3-one", - "smiles": "CCCCCC(=O)CC", - "inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3" - }, - "molarweight": 128.12, - "model_record": { - "m": 4.24072, - "sigma": 3.67612, - "epsilon_k": 255.87651, - "mu": 2.44, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2884-06-2", - "name": "2,3-dimethylnonane", - "iupac_name": "2,3-dimethylnonane", - "smiles": "CCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C11H24/c1-5-6-7-8-9-11(4)10(2)3/h10-11H,5-9H2,1-4H3" - }, - "molarweight": 156.188, - "model_record": { - "m": 4.01644, - "sigma": 4.1442, - "epsilon_k": 270.37498 - } - }, - { - "identifier": { - "cas": "1838-73-9", - "name": "3-methyl-4-heptanol", - "iupac_name": "3-methylheptan-4-ol", - "smiles": "CCCC(O)C(C)CC", - "inchi": "InChI=1S/C8H18O/c1-4-6-8(9)7(3)5-2/h7-9H,4-6H2,1-3H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 5.13816, - "sigma": 3.45699, - "epsilon_k": 212.23137, - "kappa_ab": 0.9, - "epsilon_k_ab": 847.64403, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "molarweight": 66.028, - "model_record": { - "m": 2.57721, - "sigma": 3.15564, - "epsilon_k": 180.47936, - "mu": 2.27 - } - }, - { - "identifier": { - "cas": "707-35-7", - "name": "1,3,5-trimethyladamantane", - "iupac_name": "1,3,5-trimethyladamantane", - "smiles": "CC12CC3CC(C)(C1)CC(C)(C3)C2", - "inchi": "InChI=1S/C13H22/c1-11-4-10-5-12(2,7-11)9-13(3,6-10)8-11/h10H,4-9H2,1-3H3" - }, - "molarweight": 178.172, - "model_record": { - "m": 3.69849, - "sigma": 4.22674, - "epsilon_k": 296.24774 - } - }, - { - "identifier": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.69647, - "sigma": 3.92413, - "epsilon_k": 296.18688 - } - }, - { - "identifier": { - "cas": "556-68-3", - "name": "hexadecamethylcyclooctasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadecane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C16H48O8Si8/c1-25(2)17-26(3,4)19-28(7,8)21-30(11,12)23-32(15,16)24-31(13,14)22-29(9,10)20-27(5,6)18-25/h1-16H3" - }, - "molarweight": 592.15, - "model_record": { - "m": 11.46853, - "sigma": 4.11904, - "epsilon_k": 197.40106, - "nb": 8.0 - } - }, - { - "identifier": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "molarweight": 73.089, - "model_record": { - "m": 3.45618, - "sigma": 3.33791, - "epsilon_k": 214.9587, - "kappa_ab": 0.81717, - "epsilon_k_ab": 494.86264, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "88-06-2", - "name": "2,4,6-trichlorophenol", - "iupac_name": "2,4,6-trichlorophenol", - "smiles": "Oc1c(Cl)cc(Cl)cc1Cl", - "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" - }, - "molarweight": 195.925, - "model_record": { - "m": 4.92858, - "sigma": 3.22041, - "epsilon_k": 190.47134, - "kappa_ab": 0.9, - "epsilon_k_ab": 2887.21693, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "540-63-6", - "name": "1,2-ethanedithiol", - "iupac_name": "ethane-1,2-dithiol", - "smiles": "SCCS", - "inchi": "InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2" - }, - "molarweight": 93.991, - "model_record": { - "m": 1.37632, - "sigma": 4.5, - "epsilon_k": 466.00921, - "kappa_ab": 0.0014, - "epsilon_k_ab": 1553.71284, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "molarweight": 110.037, - "model_record": { - "m": 2.39189, - "sigma": 3.88105, - "epsilon_k": 386.93484, - "kappa_ab": 0.02401, - "epsilon_k_ab": 2003.18796, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "120-82-1", - "name": "1,2,4-trichlorobenzene", - "iupac_name": "1,2,4-trichlorobenzene", - "smiles": "Clc1ccc(Cl)c(Cl)c1", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H" - }, - "molarweight": 179.93, - "model_record": { - "m": 3.2833, - "sigma": 3.77251, - "epsilon_k": 333.7118, - "mu": 1.26 - } - }, - { - "identifier": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "molarweight": 185.902, - "model_record": { - "m": 2.8049, - "sigma": 3.74996, - "epsilon_k": 234.58027 - } - }, - { - "identifier": { - "cas": "229-87-8", - "name": "phenanthridine", - "iupac_name": "phenanthridine", - "smiles": "c1ccc2c(c1)cnc1ccccc12", - "inchi": "InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H" - }, - "molarweight": 179.073, - "model_record": { - "m": 3.81408, - "sigma": 3.90259, - "epsilon_k": 394.6459, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-74-1", - "name": "tetramethyllead", - "iupac_name": "tetramethylplumbane", - "smiles": "[CH3].[CH3].[CH3].[CH3].[Pb]", - "inchi": "InChI=1S/4CH3.Pb/h4*1H3;" - }, - "molarweight": 268.071, - "model_record": { - "m": 3.06498, - "sigma": 3.87942, - "epsilon_k": 266.55267 - } - }, - { - "identifier": { - "cas": "335-36-4", - "name": "perfluoro-2-butyltetrahydrofuran", - "iupac_name": "2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6" - }, - "molarweight": 415.969, - "model_record": { - "m": 5.36052, - "sigma": 3.77472, - "epsilon_k": 187.02867, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "29911-28-2", - "name": "dipropylene glycol butyl ether", - "iupac_name": "1-(1-butoxypropan-2-yloxy)propan-2-ol", - "smiles": "CCCCOCC(C)OCC(C)O", - "inchi": "InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3" - }, - "molarweight": 190.157, - "model_record": { - "m": 3.46082, - "sigma": 4.41545, - "epsilon_k": 334.55764, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "molarweight": 150.01, - "model_record": { - "m": 3.75141, - "sigma": 3.23913, - "epsilon_k": 189.09944, - "mu": 1.63, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "molarweight": 284.272, - "model_record": { - "m": 8.55175, - "sigma": 3.77946, - "epsilon_k": 247.8225, - "mu": 1.78, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.02158, - "sigma": 3.72713, - "epsilon_k": 339.13581, - "kappa_ab": 0.00175, - "epsilon_k_ab": 2145.79575, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 88.089, - "model_record": { - "m": 3.82473, - "sigma": 3.34379, - "epsilon_k": 208.16199, - "kappa_ab": 0.02702, - "epsilon_k_ab": 2323.45962, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1732-09-8", - "name": "octanedioic acid dimethyl ester", - "iupac_name": "dimethyl octanedioate", - "smiles": "COC(=O)CCCCCCC(=O)OC", - "inchi": "InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3" - }, - "molarweight": 202.121, - "model_record": { - "m": 5.83395, - "sigma": 3.61675, - "epsilon_k": 264.63153, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "16499-88-0", - "name": "3-n-butoxypropylamine", - "iupac_name": "3-butoxypropan-1-amine", - "smiles": "CCCCOCCCN", - "inchi": "InChI=1S/C7H17NO/c1-2-3-6-9-7-4-5-8/h2-8H2,1H3" - }, - "molarweight": 131.131, - "model_record": { - "m": 2.47862, - "sigma": 4.5, - "epsilon_k": 337.55133, - "kappa_ab": 0.00408, - "epsilon_k_ab": 1780.63533, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "smiles": "CCCCCCC(C)=O", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3" - }, - "molarweight": 128.12, - "model_record": { - "m": 4.48576, - "sigma": 3.62189, - "epsilon_k": 251.31303, - "mu": 2.58, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "702-79-4", - "name": "1,3-dimethyl adamantane", - "iupac_name": "1,3-dimethyladamantane", - "smiles": "CC12CC3CC(C1)CC(C)(C3)C2", - "inchi": "InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3" - }, - "molarweight": 164.157, - "model_record": { - "m": 3.02567, - "sigma": 4.38288, - "epsilon_k": 328.54846 - } - }, - { - "identifier": { - "cas": "88-73-3", - "name": "2-chloronitrobenzene", - "iupac_name": "1-chloro-2-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1Cl", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" - }, - "molarweight": 156.993, - "model_record": { - "m": 3.34597, - "sigma": 3.68362, - "epsilon_k": 331.32289, - "mu": 4.64, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "molarweight": 88.052, - "model_record": { - "m": 4.65594, - "sigma": 3.01643, - "epsilon_k": 244.64733, - "kappa_ab": 0.00307, - "epsilon_k_ab": 2043.58731, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6881-94-3", - "name": "diethylene glycol monopropyl ether", - "iupac_name": "2-(2-propoxyethoxy)ethanol", - "smiles": "CCCOCCOCCO", - "inchi": "InChI=1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3" - }, - "molarweight": 148.11, - "model_record": { - "m": 4.80323, - "sigma": 3.56298, - "epsilon_k": 259.85027, - "kappa_ab": 0.06588, - "epsilon_k_ab": 948.33873, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "molarweight": 57.021, - "model_record": { - "m": 2.38707, - "sigma": 3.18418, - "epsilon_k": 231.12726, - "mu": 2.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "512-56-1", - "name": "trimethyl phosphate", - "iupac_name": "trimethyl phosphate", - "smiles": "COP(=O)(OC)OC", - "inchi": "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3" - }, - "molarweight": 140.024, - "model_record": { - "m": 3.96389, - "sigma": 3.43838, - "epsilon_k": 285.01204, - "mu": 3.09, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "106-49-0", - "name": "p-methylaniline", - "iupac_name": "4-methylaniline", - "smiles": "Cc1ccc(N)cc1", - "inchi": "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.69978, - "sigma": 3.56102, - "epsilon_k": 304.56551, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2913.62634, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-36-4", - "name": "isocyanic acid butyl ester", - "iupac_name": "1-isocyanatobutane", - "smiles": "CCCCN=C=O", - "inchi": "InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3" - }, - "molarweight": 99.068, - "model_record": { - "m": 4.62351, - "sigma": 3.14392, - "epsilon_k": 219.06805, - "mu": 2.52, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "109-02-4", - "name": "n-methylmorpholine", - "iupac_name": "4-methylmorpholine", - "smiles": "CN1CCOCC1", - "inchi": "InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3" - }, - "molarweight": 101.084, - "model_record": { - "m": 3.08358, - "sigma": 3.63158, - "epsilon_k": 274.0252, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "108-59-8", - "name": "dimethyl malonate", - "iupac_name": "dimethyl propanedioate", - "smiles": "COC(=O)CC(=O)OC", - "inchi": "InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3" - }, - "molarweight": 132.042, - "model_record": { - "m": 5.25377, - "sigma": 3.09373, - "epsilon_k": 245.34478, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "7785-26-4", - "name": "l-.alpha.-pinene", - "iupac_name": "(1s,5s)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CC[C@H]2C[C@@H]1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.23289, - "sigma": 4.07515, - "epsilon_k": 287.47704 - } - }, - { - "identifier": { - "cas": "104-46-1", - "name": "(cis/trans)-anethole ", - "iupac_name": "1-methoxy-4-[(e)-prop-1-enyl]benzene", - "smiles": "CC=Cc1ccc(OC)cc1", - "inchi": "InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3" - }, - "molarweight": 148.089, - "model_record": { - "m": 5.30861, - "sigma": 3.39528, - "epsilon_k": 268.06603, - "mu": 1.5, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "87-85-4", - "name": "hexamethylbenzene", - "iupac_name": "1,2,3,4,5,6-hexamethylbenzene", - "smiles": "Cc1c(C)c(C)c(C)c(C)c1C", - "inchi": "InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3" - }, - "molarweight": 162.141, - "model_record": { - "m": 5.23956, - "sigma": 3.58873, - "epsilon_k": 285.16787 - } - }, - { - "identifier": { - "cas": "3001-72-7", - "name": "1,5-diazabicyclo[4.3.0]non-5-ene", - "iupac_name": "2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine", - "smiles": "C1CN=C2CCCN2C1", - "inchi": "InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2" - }, - "molarweight": 124.1, - "model_record": { - "m": 4.76957, - "sigma": 3.27147, - "epsilon_k": 279.48445, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "112-73-2", - "name": "diethylene glycol dibutyl ether", - "iupac_name": "1-[2-(2-butoxyethoxy)ethoxy]butane", - "smiles": "CCCCOCCOCCOCCCC", - "inchi": "InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 218.188, - "model_record": { - "m": 4.60277, - "sigma": 4.22311, - "epsilon_k": 288.04347, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "1809-10-5", - "name": "3-bromopentane", - "iupac_name": "3-bromopentane", - "smiles": "CCC(Br)CC", - "inchi": "InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3" - }, - "molarweight": 150.004, - "model_record": { - "m": 2.73778, - "sigma": 3.93553, - "epsilon_k": 292.48992 - } - }, - { - "identifier": { - "cas": "90-02-8", - "name": "salicylaldehyde", - "iupac_name": "2-hydroxybenzaldehyde", - "smiles": "O=Cc1ccccc1O", - "inchi": "InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H" - }, - "molarweight": 122.037, - "model_record": { - "m": 3.4103, - "sigma": 3.53668, - "epsilon_k": 294.63034, - "kappa_ab": 0.9, - "epsilon_k_ab": 346.23775, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "61868-03-9", - "name": "2,3-dimethylheptadecane", - "iupac_name": "2,3-dimethylheptadecane", - "smiles": "CCCCCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C19H40/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(4)18(2)3/h18-19H,5-17H2,1-4H3" - }, - "molarweight": 268.313, - "model_record": { - "m": 6.57061, - "sigma": 4.18054, - "epsilon_k": 271.46348 - } - }, - { - "identifier": { - "cas": "14986-21-1", - "name": "hexachlorodisiloxane", - "iupac_name": "trichloro(trichlorosilyloxy)silane", - "smiles": "Cl[Si](Cl)(Cl)O[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl6OSi2/c1-8(2,3)7-9(4,5)6" - }, - "molarweight": 281.762, - "model_record": { - "m": 4.49898, - "sigma": 3.73967, - "epsilon_k": 227.29342, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "molarweight": 106.078, - "model_record": { - "m": 3.09708, - "sigma": 3.76975, - "epsilon_k": 293.05747 - } - }, - { - "identifier": { - "cas": "75-30-9", - "name": "2-iodopropane", - "iupac_name": "2-iodopropane", - "smiles": "CC(C)I", - "inchi": "InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3" - }, - "molarweight": 169.959, - "model_record": { - "m": 2.24416, - "sigma": 3.91132, - "epsilon_k": 304.3131, - "mu": 1.95 - } - }, - { - "identifier": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "molarweight": 135.905, - "model_record": { - "m": 2.2745, - "sigma": 3.68634, - "epsilon_k": 249.68309 - } - }, - { - "identifier": { - "cas": "350-46-9", - "name": "4-fluoronitrobenzene", - "iupac_name": "1-fluoro-4-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccc(F)cc1", - "inchi": "InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" - }, - "molarweight": 141.023, - "model_record": { - "m": 3.28078, - "sigma": 3.59254, - "epsilon_k": 326.55734, - "mu": 2.87, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "6418-46-8", - "name": "3-methyleicosane", - "iupac_name": "3-methylicosane", - "smiles": "CCCCCCCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C21H44/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)5-2/h21H,4-20H2,1-3H3" - }, - "molarweight": 296.344, - "model_record": { - "m": 9.64491, - "sigma": 3.77833, - "epsilon_k": 240.81636 - } - }, - { - "identifier": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "molarweight": 132.02, - "model_record": { - "m": 4.89974, - "sigma": 2.86594, - "epsilon_k": 215.41158, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2339.47789, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "molarweight": 41.027, - "model_record": { - "m": 2.32567, - "sigma": 3.16425, - "epsilon_k": 207.70403, - "mu": 3.92, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "363-72-4", - "name": "pentafluorobenzene", - "iupac_name": "1,2,3,4,5-pentafluorobenzene", - "smiles": "Fc1cc(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" - }, - "molarweight": 168.0, - "model_record": { - "m": 3.58314, - "sigma": 3.41414, - "epsilon_k": 232.75197 - } - }, - { - "identifier": { - "cas": "822-50-4", - "name": "trans-1,2-dimethylcyclopentane", - "iupac_name": "(1r,2r)-1,2-dimethylcyclopentane", - "smiles": "C[C@H]1CCC[C@@H]1C", - "inchi": "InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/s2" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.84427, - "sigma": 3.91974, - "epsilon_k": 264.31241 - } - }, - { - "identifier": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "molarweight": 70.078, - "model_record": { - "m": 2.47815, - "sigma": 3.80288, - "epsilon_k": 238.16333 - } - }, - { - "identifier": { - "cas": "76-02-8", - "name": "trichloroacetyl chloride", - "iupac_name": "2,2,2-trichloroacetyl chloride", - "smiles": "O=C(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2Cl4O/c3-1(7)2(4,5)6" - }, - "molarweight": 179.87, - "model_record": { - "m": 2.89895, - "sigma": 3.72977, - "epsilon_k": 285.69623, - "mu": 1.2, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "79-43-6", - "name": "dichloroacetic acid", - "iupac_name": "2,2-dichloroacetic acid", - "smiles": "O=C(O)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" - }, - "molarweight": 127.943, - "model_record": { - "m": 1.20065, - "sigma": 4.49299, - "epsilon_k": 210.30845, - "kappa_ab": 0.00829, - "epsilon_k_ab": 4876.97257, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "638-49-3", - "name": "amyl formate", - "iupac_name": "pentyl formate", - "smiles": "CCCCCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 4.24093, - "sigma": 3.44788, - "epsilon_k": 237.7671, - "mu": 1.9, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "13171-18-1", - "name": "2-methoxy-1,1,1,3,3,3-hexafluoropropane [r356mmz]", - "iupac_name": "1,1,1,3,3,3-hexafluoro-2-methoxypropane", - "smiles": "COC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3" - }, - "molarweight": 182.017, - "model_record": { - "m": 4.38722, - "sigma": 3.30307, - "epsilon_k": 185.45412, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "molarweight": 118.063, - "model_record": { - "m": 1.86406, - "sigma": 4.5, - "epsilon_k": 386.08727, - "kappa_ab": 0.00057, - "epsilon_k_ab": 2232.62748, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "7058-01-7", - "name": "sec-butylcyclohexane", - "iupac_name": "butan-2-ylcyclohexane", - "smiles": "CCC(C)C1CCCCC1", - "inchi": "InChI=1S/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3" - }, - "molarweight": 140.157, - "model_record": { - "m": 3.56409, - "sigma": 4.0508, - "epsilon_k": 286.46953 - } - }, - { - "identifier": { - "cas": "565-67-3", - "name": "2-methyl-3-pentanol", - "iupac_name": "2-methylpentan-3-ol", - "smiles": "CCC(O)C(C)C", - "inchi": "InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.96657, - "sigma": 3.48877, - "epsilon_k": 237.98826, - "kappa_ab": 0.00225, - "epsilon_k_ab": 2287.79309, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "140-10-3", - "name": "trans-cinnamic acid", - "iupac_name": "(e)-3-phenylprop-2-enoic acid", - "smiles": "O=C(O)/C=C/c1ccccc1", - "inchi": "InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+" - }, - "molarweight": 148.052, - "model_record": { - "m": 2.79469, - "sigma": 4.05506, - "epsilon_k": 277.62777, - "kappa_ab": 0.01328, - "epsilon_k_ab": 5000.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "molarweight": 119.935, - "model_record": { - "m": 2.20725, - "sigma": 3.5654, - "epsilon_k": 206.85391 - } - }, - { - "identifier": { - "cas": "14940-65-9", - "name": "tritium oxide", - "smiles": "[3H]O[3H]", - "inchi": "InChI=1S/H2O/h1H2/i/hT2" - }, - "molarweight": 18.011, - "model_record": { - "m": 2.63111, - "sigma": 1.99608, - "epsilon_k": 344.33359 - } - }, - { - "identifier": { - "cas": "124-22-1", - "name": "dodecylamine", - "iupac_name": "dodecan-1-amine", - "smiles": "CCCCCCCCCCCCN", - "inchi": "InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3" - }, - "molarweight": 185.214, - "model_record": { - "m": 5.10023, - "sigma": 3.96178, - "epsilon_k": 214.70157, - "kappa_ab": 0.55636, - "epsilon_k_ab": 2347.72321, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "706-31-0", - "name": "cis,trans,trans-1,5,9-cyclododecatriene", - "iupac_name": "cyclododeca-1,5,9-triene", - "smiles": "C1=C/CC/C=C/CC/C=C/CC/1", - "inchi": "InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7+,10-8+" - }, - "molarweight": 162.141, - "model_record": { - "m": 2.87939, - "sigma": 4.5, - "epsilon_k": 365.86498 - } - }, - { - "identifier": { - "cas": "109-68-2", - "name": "2-pentene", - "iupac_name": "(e)-pent-2-ene", - "smiles": "CC=CCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3" - }, - "molarweight": 70.078, - "model_record": { - "m": 2.4197, - "sigma": 3.81623, - "epsilon_k": 247.87781 - } - }, - { - "identifier": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "molarweight": 138.068, - "model_record": { - "m": 4.29945, - "sigma": 3.45674, - "epsilon_k": 284.87164, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "402-67-5", - "name": "3-fluoronitrobenzene", - "iupac_name": "1-fluoro-3-nitrobenzene", - "smiles": "O=[N+]([O-])c1cccc(F)c1", - "inchi": "InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" - }, - "molarweight": 141.023, - "model_record": { - "m": 3.28525, - "sigma": 3.57865, - "epsilon_k": 328.43506, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "925-78-0", - "name": "3-nonanone", - "iupac_name": "nonan-3-one", - "smiles": "CCCCCCC(=O)CC", - "inchi": "InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3" - }, - "molarweight": 142.136, - "model_record": { - "m": 4.84869, - "sigma": 3.64319, - "epsilon_k": 250.16129, - "mu": 2.48, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "molarweight": 45.058, - "model_record": { - "m": 2.79195, - "sigma": 3.08254, - "epsilon_k": 217.92545, - "kappa_ab": 0.04498, - "epsilon_k_ab": 622.42578, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-88-6", - "name": "octylmercaptan", - "iupac_name": "octane-1-thiol", - "smiles": "CCCCCCCCS", - "inchi": "InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "molarweight": 146.113, - "model_record": { - "m": 4.00689, - "sigma": 3.92772, - "epsilon_k": 280.05912, - "kappa_ab": 0.00605, - "epsilon_k_ab": 1405.88447, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1002-84-2", - "name": "pentadecanoic acid", - "iupac_name": "pentadecanoic acid", - "smiles": "CCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)" - }, - "molarweight": 242.225, - "model_record": { - "m": 6.6234, - "sigma": 3.92723, - "epsilon_k": 272.88887, - "kappa_ab": 0.00635, - "epsilon_k_ab": 3328.43576, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "13360-61-7", - "name": "1-pentadecene", - "iupac_name": "pentadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3" - }, - "molarweight": 210.235, - "model_record": { - "m": 6.14256, - "sigma": 3.93828, - "epsilon_k": 256.27493 - } - }, - { - "identifier": { - "cas": "20816-12-0", - "name": "osmium tetroxide", - "iupac_name": "tetraoxoosmium", - "smiles": "[O-2].[O-2].[O-2].[O-2].[Os+8]", - "inchi": "InChI=1S/4O.Os/q4*-2;+8" - }, - "molarweight": 255.941, - "model_record": { - "m": 2.1234, - "sigma": 3.38476, - "epsilon_k": 378.59057 - } - }, - { - "identifier": { - "cas": "629-08-3", - "name": "heptanenitrile", - "iupac_name": "heptanenitrile", - "smiles": "CCCCCCC#N", - "inchi": "InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3" - }, - "molarweight": 111.105, - "model_record": { - "m": 3.77407, - "sigma": 3.69258, - "epsilon_k": 287.47985, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "26537-19-9", - "name": "methyl 4-tert-butylbenzoate", - "iupac_name": "methyl 4-tert-butylbenzoate", - "smiles": "COC(=O)c1ccc(C(C)(C)C)cc1", - "inchi": "InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3" - }, - "molarweight": 192.115, - "model_record": { - "m": 5.70552, - "sigma": 3.60421, - "epsilon_k": 267.86591, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1186-53-4", - "name": "2,2,3,4-tetramethylpentane", - "iupac_name": "2,2,3,4-tetramethylpentane", - "smiles": "CC(C)C(C)C(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 3.24524, - "sigma": 4.14986, - "epsilon_k": 267.96763 - } - }, - { - "identifier": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "molarweight": 178.121, - "model_record": { - "m": 5.34681, - "sigma": 3.58701, - "epsilon_k": 256.86589, - "mu": 2.24, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "122-97-4", - "name": "3-phenyl-1-propanol", - "iupac_name": "3-phenylpropan-1-ol", - "smiles": "OCCCc1ccccc1", - "inchi": "InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2" - }, - "molarweight": 136.089, - "model_record": { - "m": 4.50376, - "sigma": 3.52814, - "epsilon_k": 292.94532, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3704.69064, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "3710-30-3", - "name": "1,7-octadiene", - "iupac_name": "octa-1,7-diene", - "smiles": "C=CCCCCC=C", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2" - }, - "molarweight": 110.11, - "model_record": { - "m": 3.70129, - "sigma": 3.77256, - "epsilon_k": 242.86889 - } - }, - { - "identifier": { - "cas": "598-25-4", - "name": "dimethylallene", - "iupac_name": "3-methylbuta-1,2-diene", - "smiles": "C=C=C(C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3" - }, - "molarweight": 68.063, - "model_record": { - "m": 2.68657, - "sigma": 3.59051, - "epsilon_k": 239.04875 - } - }, - { - "identifier": { - "cas": "75-36-5", - "name": "acetyl chloride", - "iupac_name": "acetyl chloride", - "smiles": "CC(=O)Cl", - "inchi": "InChI=1S/C2H3ClO/c1-2(3)4/h1H3" - }, - "molarweight": 77.987, - "model_record": { - "m": 2.63246, - "sigma": 3.25647, - "epsilon_k": 236.53078, - "mu": 2.72, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "287-23-0", - "name": "cyclobutane", - "iupac_name": "cyclobutane", - "smiles": "C1CCC1", - "inchi": "InChI=1S/C4H8/c1-2-4-3-1/h1-4H2" - }, - "molarweight": 56.063, - "model_record": { - "m": 2.03005, - "sigma": 3.66942, - "epsilon_k": 259.5457 - } - }, - { - "identifier": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "molarweight": 226.266, - "model_record": { - "m": 6.90909, - "sigma": 3.87837, - "epsilon_k": 250.17195 - } - }, - { - "identifier": { - "cas": "156-87-6", - "name": "3-amino-1-propanol", - "iupac_name": "3-aminopropan-1-ol", - "smiles": "NCCCO", - "inchi": "InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2" - }, - "molarweight": 75.068, - "model_record": { - "m": 2.75491, - "sigma": 3.21909, - "epsilon_k": 79.86866, - "kappa_ab": 0.03196, - "epsilon_k_ab": 3323.78041, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "623-17-6", - "name": "acetic acid, furfuryl ester", - "iupac_name": "furan-2-ylmethyl acetate", - "smiles": "CC(=O)OCc1ccco1", - "inchi": "InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3" - }, - "molarweight": 140.047, - "model_record": { - "m": 4.5227, - "sigma": 3.35553, - "epsilon_k": 262.35672, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "105-75-9", - "name": "dibutyl ester (e)-2-butenedioic acid", - "iupac_name": "dibutyl (e)-but-2-enedioate", - "smiles": "CCCCOC(=O)/C=C/C(=O)OCCCC", - "inchi": "InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+" - }, - "molarweight": 228.136, - "model_record": { - "m": 6.19943, - "sigma": 3.74038, - "epsilon_k": 266.37276, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.14563, - "sigma": 4.06407, - "epsilon_k": 314.30869 - } - }, - { - "identifier": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.18936, - "sigma": 4.07828, - "epsilon_k": 296.99679 - } - }, - { - "identifier": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "molarweight": 90.068, - "model_record": { - "m": 3.92348, - "sigma": 3.21912, - "epsilon_k": 257.75363, - "kappa_ab": 0.04893, - "epsilon_k_ab": 1568.382, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "460-00-4", - "name": "p-fluorobromobenzene", - "iupac_name": "1-bromo-4-fluorobenzene", - "smiles": "Fc1ccc(Br)cc1", - "inchi": "InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H" - }, - "molarweight": 173.948, - "model_record": { - "m": 2.89793, - "sigma": 3.7332, - "epsilon_k": 314.58899 - } - }, - { - "identifier": { - "cas": "104-85-8", - "name": "p-toluonitrile ", - "iupac_name": "4-methylbenzonitrile", - "smiles": "Cc1ccc(C#N)cc1", - "inchi": "InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3" - }, - "molarweight": 117.058, - "model_record": { - "m": 3.48898, - "sigma": 3.64718, - "epsilon_k": 308.33025, - "mu": 4.4, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2051-30-1", - "name": "2,6-dimethyloctane", - "iupac_name": "2,6-dimethyloctane", - "smiles": "CCC(C)CCCC(C)C", - "inchi": "InChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3" - }, - "molarweight": 142.172, - "model_record": { - "m": 4.25771, - "sigma": 3.93753, - "epsilon_k": 246.48391 - } - }, - { - "identifier": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 4.16414, - "sigma": 3.46392, - "epsilon_k": 226.81852, - "mu": 1.86, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "629-40-3", - "name": "1,6-dicyanohexane", - "iupac_name": "octanedinitrile", - "smiles": "N#CCCCCCCC#N", - "inchi": "InChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2" - }, - "molarweight": 136.1, - "model_record": { - "m": 4.11628, - "sigma": 3.74336, - "epsilon_k": 363.53128, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "3779-29-1", - "name": "diethyl ester 1,1-cyclobutanedicarboxylic acid", - "iupac_name": "diethyl cyclobutane-1,1-dicarboxylate", - "smiles": "CCOC(=O)C1(C(=O)OCC)CCC1", - "inchi": "InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3" - }, - "molarweight": 200.105, - "model_record": { - "m": 5.93279, - "sigma": 3.5315, - "epsilon_k": 245.22991, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "106-38-7", - "name": "4-bromotoluene", - "iupac_name": "1-bromo-4-methylbenzene", - "smiles": "Cc1ccc(Br)cc1", - "inchi": "InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "molarweight": 169.973, - "model_record": { - "m": 3.50937, - "sigma": 3.63632, - "epsilon_k": 300.53113, - "mu": 1.9 - } - }, - { - "identifier": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "molarweight": 117.115, - "model_record": { - "m": 2.13996, - "sigma": 4.5, - "epsilon_k": 351.45698, - "kappa_ab": 0.00317, - "epsilon_k_ab": 1954.28866, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "463-49-0", - "name": "propadiene", - "iupac_name": "propa-1,2-diene", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "molarweight": 40.031, - "model_record": { - "m": 1.97921, - "sigma": 3.36589, - "epsilon_k": 222.99172 - } - }, - { - "identifier": { - "cas": "150-76-5", - "name": "p-methoxyphenol", - "iupac_name": "4-methoxyphenol", - "smiles": "COc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3" - }, - "molarweight": 124.052, - "model_record": { - "m": 1.88128, - "sigma": 4.5, - "epsilon_k": 436.7521, - "kappa_ab": 0.00212, - "epsilon_k_ab": 3046.93194, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "molarweight": 74.073, - "model_record": { - "m": 2.97883, - "sigma": 3.50108, - "epsilon_k": 219.43339, - "mu": 1.15, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "92-06-8", - "name": "m-terphenyl", - "iupac_name": "1,3-diphenylbenzene", - "smiles": "c1ccc(-c2cccc(-c3ccccc3)c2)cc1", - "inchi": "InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H" - }, - "molarweight": 230.11, - "model_record": { - "m": 5.51325, - "sigma": 3.82612, - "epsilon_k": 333.12204 - } - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "molarweight": 116.12, - "model_record": { - "m": 3.1954, - "sigma": 3.9887, - "epsilon_k": 282.2732, - "kappa_ab": 0.00298, - "epsilon_k_ab": 2944.42231, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "112-37-8", - "name": "undecanoic acid", - "iupac_name": "undecanoic acid", - "smiles": "CCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)" - }, - "molarweight": 186.162, - "model_record": { - "m": 5.67792, - "sigma": 3.74657, - "epsilon_k": 261.49708, - "kappa_ab": 0.01926, - "epsilon_k_ab": 2931.36764, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "3852-09-3", - "name": "propionic acid,beta-methoxy,methyl ester", - "iupac_name": "methyl 3-methoxypropanoate", - "smiles": "COCCC(=O)OC", - "inchi": "InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3" - }, - "molarweight": 118.063, - "model_record": { - "m": 4.53217, - "sigma": 3.25371, - "epsilon_k": 240.14143, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" - }, - "molarweight": 240.282, - "model_record": { - "m": 7.42946, - "sigma": 3.87719, - "epsilon_k": 248.12528 - } - }, - { - "identifier": { - "cas": "122-62-3", - "name": "bis-(2-ethylhexyl)-sebacate", - "iupac_name": "bis(2-ethylhexyl) decanedioate", - "smiles": "CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC", - "inchi": "InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3" - }, - "molarweight": 426.371, - "model_record": { - "m": 11.85073, - "sigma": 3.81642, - "epsilon_k": 245.22057, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "molarweight": 437.971, - "model_record": { - "m": 5.67921, - "sigma": 3.76137, - "epsilon_k": 183.04033 - } - }, - { - "identifier": { - "cas": "380-43-8", - "name": "2-chloro-1,1,2-trifluoroethylpropyl ether", - "smiles": "CCCOC(F)(F)C(F)Cl", - "inchi": "InChI=1S/C5H8ClF3O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3" - }, - "molarweight": 176.022, - "model_record": { - "m": 4.26222, - "sigma": 3.5261, - "epsilon_k": 222.45664, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7443-55-2", - "name": "trans-3-methylcyclohexanol", - "iupac_name": "(1s,3s)-3-methylcyclohexan-1-ol", - "smiles": "C[C@H]1CCC[C@H](O)C1", - "inchi": "InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7-/m0/s1" - }, - "molarweight": 114.104, - "model_record": { - "m": 2.02541, - "sigma": 4.5, - "epsilon_k": 382.535, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3697.22317, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-47-8", - "name": "p-chloroaniline", - "iupac_name": "4-chloroaniline", - "smiles": "Nc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" - }, - "molarweight": 127.019, - "model_record": { - "m": 2.25126, - "sigma": 4.09606, - "epsilon_k": 339.06486, - "kappa_ab": 0.10401, - "epsilon_k_ab": 2380.88581, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-95-2", - "name": "n,n,n',n'-tetramethyl-1,3-diamino propane", - "iupac_name": "n,n,n',n'-tetramethylpropane-1,3-diamine", - "smiles": "CN(C)CCCN(C)C", - "inchi": "InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3" - }, - "molarweight": 130.147, - "model_record": { - "m": 4.02618, - "sigma": 3.79989, - "epsilon_k": 247.5631, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "928-45-0", - "name": "n-butylnitrate", - "iupac_name": "butyl nitrate", - "smiles": "CCCCO[N+](=O)[O-]", - "inchi": "InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3" - }, - "molarweight": 119.058, - "model_record": { - "m": 3.48351, - "sigma": 3.55917, - "epsilon_k": 269.72221, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "smiles": "c1ccc2[nH]ccc2c1", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "molarweight": 117.058, - "model_record": { - "m": 3.7028, - "sigma": 3.46446, - "epsilon_k": 345.06845, - "mu": 2.08 - } - }, - { - "identifier": { - "cas": "106-31-0", - "name": "butyric anhydride", - "iupac_name": "butanoyl butanoate", - "smiles": "CCCC(=O)OC(=O)CCC", - "inchi": "InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 158.094, - "model_record": { - "m": 5.13276, - "sigma": 3.51616, - "epsilon_k": 250.71016, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "molarweight": 84.094, - "model_record": { - "m": 2.64252, - "sigma": 3.80097, - "epsilon_k": 263.53959 - } - }, - { - "identifier": { - "cas": "112-62-9", - "name": "methyl oleate", - "iupac_name": "methyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-" - }, - "molarweight": 296.272, - "model_record": { - "m": 8.82621, - "sigma": 3.78155, - "epsilon_k": 249.5465, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2213-32-3", - "name": "2,4-dimethyl-1-pentene", - "iupac_name": "2,4-dimethylpent-1-ene", - "smiles": "C=C(C)CC(C)C", - "inchi": "InChI=1S/C7H14/c1-6(2)5-7(3)4/h7H,1,5H2,2-4H3" - }, - "molarweight": 98.11, - "model_record": { - "m": 3.07038, - "sigma": 3.89844, - "epsilon_k": 243.85321 - } - }, - { - "identifier": { - "cas": "502-49-8", - "name": "cyclooctanone", - "iupac_name": "cyclooctanone", - "smiles": "O=C1CCCCCCC1", - "inchi": "InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2" - }, - "molarweight": 126.104, - "model_record": { - "m": 2.90475, - "sigma": 4.02348, - "epsilon_k": 345.98015, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "4437-85-8", - "name": "1,2-butylenecarbonate", - "iupac_name": "4-ethyl-1,3-dioxolan-2-one", - "smiles": "CCC1COC(=O)O1", - "inchi": "InChI=1S/C5H8O3/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3" - }, - "molarweight": 116.047, - "model_record": { - "m": 3.33303, - "sigma": 3.53941, - "epsilon_k": 365.23054, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "421-14-7", - "name": "trifluoromethoxymethane", - "iupac_name": "trifluoro(methoxy)methane", - "smiles": "COC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3" - }, - "molarweight": 100.014, - "model_record": { - "m": 2.32026, - "sigma": 3.51614, - "epsilon_k": 203.20693, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" - }, - "molarweight": 242.261, - "model_record": { - "m": 6.46632, - "sigma": 4.01514, - "epsilon_k": 274.31616, - "kappa_ab": 0.00116, - "epsilon_k_ab": 3285.90929, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "100-71-0", - "name": "2-ethylpyridine", - "iupac_name": "2-ethylpyridine", - "smiles": "CCc1ccccn1", - "inchi": "InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.44995, - "sigma": 3.56645, - "epsilon_k": 280.89108, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "616-42-2", - "name": "dimethylester sulfurous acid", - "iupac_name": "dimethyl sulfite", - "smiles": "COS(=O)OC", - "inchi": "InChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3" - }, - "molarweight": 110.004, - "model_record": { - "m": 3.5552, - "sigma": 3.25269, - "epsilon_k": 266.57358, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "96-11-7", - "name": "1,2,3-tribromopropane", - "iupac_name": "1,2,3-tribromopropane", - "smiles": "BrCC(Br)CBr", - "inchi": "InChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2" - }, - "molarweight": 277.794, - "model_record": { - "m": 3.76035, - "sigma": 3.51173, - "epsilon_k": 316.86914 - } - }, - { - "identifier": { - "cas": "2883-02-5", - "name": "n-nonylcyclohexane", - "iupac_name": "nonylcyclohexane", - "smiles": "CCCCCCCCCC1CCCCC1", - "inchi": "InChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3" - }, - "molarweight": 210.235, - "model_record": { - "m": 5.78398, - "sigma": 3.96491, - "epsilon_k": 269.56951 - } - }, - { - "identifier": { - "cas": "115-84-4", - "name": "2-butyl-2-ethyl-1,3-propanediol", - "iupac_name": "2-butyl-2-ethylpropane-1,3-diol", - "smiles": "CCCCC(CC)(CO)CO", - "inchi": "InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3" - }, - "molarweight": 160.146, - "model_record": { - "m": 4.04372, - "sigma": 3.82803, - "epsilon_k": 157.96277, - "kappa_ab": 0.09207, - "epsilon_k_ab": 2913.72696, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "354-51-8", - "name": "1,2-dibromo-1-chloro-1,2,2-trifluoroethane", - "iupac_name": "1,2-dibromo-1-chloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Br)C(F)(Cl)Br", - "inchi": "InChI=1S/C2Br2ClF3/c3-1(5,6)2(4,7)8" - }, - "molarweight": 273.801, - "model_record": { - "m": 2.80746, - "sigma": 3.86073, - "epsilon_k": 268.8613 - } - }, - { - "identifier": { - "cas": "624-54-4", - "name": "amyl propioanate", - "iupac_name": "pentyl propanoate", - "smiles": "CCCCCOC(=O)CC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3" - }, - "molarweight": 144.115, - "model_record": { - "m": 5.0311, - "sigma": 3.53421, - "epsilon_k": 234.61142, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "538-93-2", - "name": "isobutylbenzene", - "iupac_name": "2-methylpropylbenzene", - "smiles": "CC(C)Cc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.47499, - "sigma": 3.96166, - "epsilon_k": 288.24615 - } - }, - { - "identifier": { - "cas": "30673-60-0", - "name": "decanoic acid propyl ester", - "iupac_name": "propyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCCC", - "inchi": "InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3" - }, - "molarweight": 214.193, - "model_record": { - "m": 6.31978, - "sigma": 3.78505, - "epsilon_k": 250.45298, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "molarweight": 58.042, - "model_record": { - "m": 2.78618, - "sigma": 3.24884, - "epsilon_k": 231.11777, - "mu": 2.88, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "10028-15-6", - "name": "ozone", - "iupac_name": "ozone", - "smiles": "O=[O+][O-]", - "inchi": "InChI=1S/O3/c1-3-2" - }, - "molarweight": 47.985, - "model_record": { - "m": 1.83787, - "sigma": 2.91244, - "epsilon_k": 159.46303, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "120-83-2", - "name": "2,4-dichlorophenol", - "iupac_name": "2,4-dichlorophenol", - "smiles": "Oc1ccc(Cl)cc1Cl", - "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" - }, - "molarweight": 161.964, - "model_record": { - "m": 1.88812, - "sigma": 4.5, - "epsilon_k": 449.15265, - "kappa_ab": 0.00815, - "epsilon_k_ab": 1784.02856, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine", - "iupac_name": "molecular chlorine", - "smiles": "ClCl", - "inchi": "InChI=1S/Cl2/c1-2" - }, - "molarweight": 69.938, - "model_record": { - "m": 1.42512, - "sigma": 3.46815, - "epsilon_k": 278.31499, - "kappa_ab": 0.00029, - "epsilon_k_ab": 968.73217, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2712-92-7", - "name": "trifluoromethyl)-phosphonous dibromide", - "iupac_name": "dibromo-(trifluoromethyl)phosphane", - "smiles": "FC(F)(F)P(Br)Br", - "inchi": "InChI=1S/CBr2F3P/c2-7(3)1(4,5)6" - }, - "molarweight": 257.806, - "model_record": { - "m": 2.12889, - "sigma": 4.21141, - "epsilon_k": 312.94272 - } - }, - { - "identifier": { - "cas": "109-83-1", - "name": "n-methylethanolamine", - "iupac_name": "2-(methylamino)ethanol", - "smiles": "CNCCO", - "inchi": "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3" - }, - "molarweight": 75.068, - "model_record": { - "m": 3.99492, - "sigma": 3.05032, - "epsilon_k": 235.72352, - "kappa_ab": 0.09324, - "epsilon_k_ab": 1204.45109, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "molarweight": 100.089, - "model_record": { - "m": 3.6802, - "sigma": 3.541, - "epsilon_k": 252.67369, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1560-88-9", - "name": "2-methyloctadecane", - "iupac_name": "2-methyloctadecane", - "smiles": "CCCCCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3" - }, - "molarweight": 268.313, - "model_record": { - "m": 7.73766, - "sigma": 3.95566, - "epsilon_k": 252.55501 - } - }, - { - "identifier": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "molarweight": 114.104, - "model_record": { - "m": 3.68879, - "sigma": 3.70711, - "epsilon_k": 246.22157, - "mu": 2.73, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "molarweight": 149.99, - "model_record": { - "m": 3.40869, - "sigma": 3.22719, - "epsilon_k": 159.26613 - } - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "molarweight": 78.047, - "model_record": { - "m": 2.51627, - "sigma": 3.61064, - "epsilon_k": 284.11055 - } - }, - { - "identifier": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "molarweight": 102.068, - "model_record": { - "m": 3.70164, - "sigma": 3.43596, - "epsilon_k": 240.20651, - "mu": 2.03, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "16219-75-3", - "name": "5-ethylidenebicyclo[2.2.1]hept-2-ene ", - "iupac_name": "5-ethylidenebicyclo[2.2.1]hept-2-ene", - "smiles": "CC=C1CC2C=CC1C2", - "inchi": "InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3" - }, - "molarweight": 120.094, - "model_record": { - "m": 3.17637, - "sigma": 3.85927, - "epsilon_k": 288.76235 - } - }, - { - "identifier": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "molarweight": 132.079, - "model_record": { - "m": 5.03484, - "sigma": 3.30378, - "epsilon_k": 231.75439, - "mu": 2.25, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "13952-84-6", - "name": "sec-butylamine", - "iupac_name": "butan-2-amine", - "smiles": "CCC(C)N", - "inchi": "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3" - }, - "molarweight": 73.089, - "model_record": { - "m": 3.00348, - "sigma": 3.51309, - "epsilon_k": 239.36265, - "kappa_ab": 0.00022, - "epsilon_k_ab": 1896.39111, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "96-23-1", - "name": "1,3-dichloro-2-propanol", - "iupac_name": "1,3-dichloropropan-2-ol", - "smiles": "OC(CCl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2" - }, - "molarweight": 127.98, - "model_record": { - "m": 1.56471, - "sigma": 4.5, - "epsilon_k": 445.81904, - "kappa_ab": 0.00274, - "epsilon_k_ab": 2458.75846, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "molarweight": 40.031, - "model_record": { - "m": 2.39289, - "sigma": 3.15096, - "epsilon_k": 208.71275, - "mu": 0.781 - } - }, - { - "identifier": { - "cas": "7791-25-5", - "name": "sulfuryl chloride", - "iupac_name": "sulfuryl dichloride", - "smiles": "O=S(=O)(Cl)Cl", - "inchi": "InChI=1S/Cl2O2S/c1-5(2,3)4" - }, - "molarweight": 133.9, - "model_record": { - "m": 2.68666, - "sigma": 3.39456, - "epsilon_k": 263.61122, - "mu": 1.81, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "22331-09-5", - "name": "5-methyltricosane", - "iupac_name": "5-methyltricosane", - "smiles": "CCCCCCCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C24H50/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-7-5-2/h24H,4-23H2,1-3H3" - }, - "molarweight": 338.391, - "model_record": { - "m": 10.04695, - "sigma": 3.89711, - "epsilon_k": 248.19868 - } - }, - { - "identifier": { - "cas": "89-78-1", - "name": "dl-(1r,2s,5r)-rel-5-methyl-2-(1-methylethyl)cyclohexanol", - "iupac_name": "5-methyl-2-propan-2-ylcyclohexan-1-ol", - "smiles": "CC(C)[C@H]1CC[C@H](C)C[C@@H]1O", - "inchi": "InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/s2" - }, - "molarweight": 156.151, - "model_record": { - "m": 4.67462, - "sigma": 3.74069, - "epsilon_k": 272.65817, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3100.2174, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "molarweight": 165.985, - "model_record": { - "m": 3.58411, - "sigma": 3.26746, - "epsilon_k": 155.0376, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "molarweight": 93.058, - "model_record": { - "m": 3.03895, - "sigma": 3.51123, - "epsilon_k": 327.09609, - "kappa_ab": 0.02373, - "epsilon_k_ab": 1288.02766, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "molarweight": 97.969, - "model_record": { - "m": 2.59888, - "sigma": 3.45838, - "epsilon_k": 254.84244, - "mu": 2.06 - } - }, - { - "identifier": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "molarweight": 195.89, - "model_record": { - "m": 3.07638, - "sigma": 3.48889, - "epsilon_k": 227.52797 - } - }, - { - "identifier": { - "cas": "3404-61-3", - "name": "3-methyl-1-hexene", - "iupac_name": "3-methylhex-1-ene", - "smiles": "C=CC(C)CCC", - "inchi": "InChI=1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.84142, - "sigma": 4.01501, - "epsilon_k": 256.744 - } - }, - { - "identifier": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "molarweight": 86.073, - "model_record": { - "m": 2.5957, - "sigma": 3.6803, - "epsilon_k": 281.77454, - "mu": 1.55, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "76-03-9", - "name": "trichloroacetic acid", - "iupac_name": "2,2,2-trichloroacetic acid", - "smiles": "O=C(O)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "molarweight": 161.904, - "model_record": { - "m": 4.85809, - "sigma": 3.04254, - "epsilon_k": 260.56444, - "kappa_ab": 0.03241, - "epsilon_k_ab": 1591.58225, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1445-79-0", - "name": "trimethylgallium", - "iupac_name": "trimethylgallane", - "smiles": "[CH3].[CH3].[CH3].[Ga]", - "inchi": "InChI=1S/3CH3.Ga/h3*1H3;" - }, - "molarweight": 113.996, - "model_record": { - "m": 3.90204, - "sigma": 3.17662, - "epsilon_k": 204.59089 - } - }, - { - "identifier": { - "cas": "590-73-8", - "name": "2,2-dimethylhexane", - "iupac_name": "2,2-dimethylhexane", - "smiles": "CCCCC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.38678, - "sigma": 3.98505, - "epsilon_k": 245.3169 - } - }, - { - "identifier": { - "cas": "14686-13-6", - "name": "trans-2-heptene", - "iupac_name": "(e)-hept-2-ene", - "smiles": "C/C=C/CCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+" - }, - "molarweight": 98.11, - "model_record": { - "m": 3.28487, - "sigma": 3.81424, - "epsilon_k": 247.06565 - } - }, - { - "identifier": { - "cas": "688-71-1", - "name": "boric acid tripropyl ester", - "iupac_name": "tripropyl borate", - "smiles": "CCCOB(OCCC)OCCC", - "inchi": "InChI=1S/C9H21BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3" - }, - "molarweight": 188.158, - "model_record": { - "m": 6.19312, - "sigma": 3.59695, - "epsilon_k": 214.17539, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "molarweight": 101.084, - "model_record": { - "m": 3.50894, - "sigma": 3.542, - "epsilon_k": 299.54989, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6117-99-3", - "name": "2,4-dimethyldodecane", - "iupac_name": "2,4-dimethyldodecane", - "smiles": "CCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C14H30/c1-5-6-7-8-9-10-11-14(4)12-13(2)3/h13-14H,5-12H2,1-4H3" - }, - "molarweight": 198.235, - "model_record": { - "m": 5.68591, - "sigma": 3.9726, - "epsilon_k": 249.75954 - } - }, - { - "identifier": { - "cas": "106-46-7", - "name": "p-dichlorobenzene", - "iupac_name": "1,4-dichlorobenzene", - "smiles": "Clc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "molarweight": 145.969, - "model_record": { - "m": 2.97762, - "sigma": 3.77419, - "epsilon_k": 324.26409 - } - }, - { - "identifier": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "molarweight": 74.073, - "model_record": { - "m": 4.12251, - "sigma": 3.09942, - "epsilon_k": 203.64766, - "kappa_ab": 0.00548, - "epsilon_k_ab": 2150.4402, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "144-49-0", - "name": "fluoroacetic acid", - "iupac_name": "2-fluoroacetic acid", - "smiles": "O=C(O)CF", - "inchi": "InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "molarweight": 78.012, - "model_record": { - "m": 1.0, - "sigma": 4.14954, - "epsilon_k": 172.60704, - "kappa_ab": 0.01093, - "epsilon_k_ab": 4854.6917, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "586-62-9", - "name": "terpinolene", - "iupac_name": "1-methyl-4-propan-2-ylidenecyclohexene", - "smiles": "CC1=CCC(=C(C)C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.71735, - "sigma": 3.88495, - "epsilon_k": 288.83742 - } - }, - { - "identifier": { - "cas": "589-34-4", - "name": "3-methylhexane", - "iupac_name": "3-methylhexane", - "smiles": "CCCC(C)CC", - "inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3" - }, - "molarweight": 100.125, - "model_record": { - "m": 3.23144, - "sigma": 3.87322, - "epsilon_k": 243.83414 - } - }, - { - "identifier": { - "cas": "112-59-4", - "name": "diethylene glycol n-hexyl ether", - "iupac_name": "2-(2-hexoxyethoxy)ethanol", - "smiles": "CCCCCCOCCOCCO", - "inchi": "InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3" - }, - "molarweight": 190.157, - "model_record": { - "m": 2.91146, - "sigma": 4.5, - "epsilon_k": 189.48601, - "kappa_ab": 0.00288, - "epsilon_k_ab": 5000.0, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "143-13-5", - "name": "acetic acid nonyl ester", - "iupac_name": "nonyl acetate", - "smiles": "CCCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3" - }, - "molarweight": 186.162, - "model_record": { - "m": 6.75835, - "sigma": 3.49172, - "epsilon_k": 228.39092, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "molarweight": 174.089, - "model_record": { - "m": 5.73177, - "sigma": 3.42322, - "epsilon_k": 247.11955, - "mu": 2.27842, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "141-10-6", - "name": "6,10-dimethyl-3,5,9-undecatrien-2-one", - "iupac_name": "(3e,5e)-6,10-dimethylundeca-3,5,9-trien-2-one", - "smiles": "CC(=O)C=CC=C(C)CCC=C(C)C", - "inchi": "InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3" - }, - "molarweight": 192.151, - "model_record": { - "m": 6.95909, - "sigma": 3.49415, - "epsilon_k": 248.1318, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "100-68-5", - "name": "1-phenyl-1-thiaethane", - "iupac_name": "methylsulfanylbenzene", - "smiles": "CSc1ccccc1", - "inchi": "InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 124.035, - "model_record": { - "m": 3.27107, - "sigma": 3.69717, - "epsilon_k": 321.82198, - "mu": 1.29, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "513-81-5", - "name": "1,3-butadiene, 2,3-dimethyl-", - "iupac_name": "2,3-dimethylbuta-1,3-diene", - "smiles": "C=C(C)C(=C)C", - "inchi": "InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3" - }, - "molarweight": 82.078, - "model_record": { - "m": 2.66543, - "sigma": 3.79932, - "epsilon_k": 259.73716 - } - }, - { - "identifier": { - "cas": "502-42-1", - "name": "cycloheptanone", - "iupac_name": "cycloheptanone", - "smiles": "O=C1CCCCCC1", - "inchi": "InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2" - }, - "molarweight": 112.089, - "model_record": { - "m": 3.0363, - "sigma": 3.7919, - "epsilon_k": 324.72609, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "molarweight": 74.037, - "model_record": { - "m": 4.77223, - "sigma": 2.7633, - "epsilon_k": 241.54716, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.00605, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1190-76-7", - "name": "cis-crotonitrile", - "iupac_name": "(z)-but-2-enenitrile", - "smiles": "C/C=C\\C#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-" - }, - "molarweight": 67.042, - "model_record": { - "m": 2.65978, - "sigma": 3.47419, - "epsilon_k": 248.61056, - "mu": 4.08, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "112-12-9", - "name": "2-undecanone", - "iupac_name": "undecan-2-one", - "smiles": "CCCCCCCCCC(C)=O", - "inchi": "InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3" - }, - "molarweight": 170.167, - "model_record": { - "m": 5.46936, - "sigma": 3.73088, - "epsilon_k": 256.85187, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "625-69-4", - "name": "(+-)-2,4-pentanediol", - "iupac_name": "pentane-2,4-diol", - "smiles": "CC(O)CC(C)O", - "inchi": "InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3" - }, - "molarweight": 104.084, - "model_record": { - "m": 1.8397, - "sigma": 4.5, - "epsilon_k": 358.83694, - "kappa_ab": 0.00357, - "epsilon_k_ab": 2504.70328, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "molarweight": 122.073, - "model_record": { - "m": 2.53911, - "sigma": 4.12402, - "epsilon_k": 358.82328, - "kappa_ab": 0.00852, - "epsilon_k_ab": 2561.71885, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "5932-68-3", - "name": "trans-isoeugenol", - "iupac_name": "2-methoxy-4-[(e)-prop-1-enyl]phenol", - "smiles": "C/C=C/c1ccc(O)c(OC)c1", - "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+" - }, - "molarweight": 164.084, - "model_record": { - "m": 2.50019, - "sigma": 4.5, - "epsilon_k": 380.25863, - "kappa_ab": 0.00803, - "epsilon_k_ab": 2599.72402, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "646-04-8", - "name": "trans-2-pentene", - "iupac_name": "(e)-pent-2-ene", - "smiles": "C/C=C/CC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+" - }, - "molarweight": 70.078, - "model_record": { - "m": 2.68766, - "sigma": 3.6794, - "epsilon_k": 233.37839 - } - }, - { - "identifier": { - "cas": "688-74-4", - "name": "boric acid,tri-n-butylester", - "iupac_name": "tributyl borate", - "smiles": "CCCCOB(OCCCC)OCCCC", - "inchi": "InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3" - }, - "molarweight": 230.205, - "model_record": { - "m": 6.08643, - "sigma": 3.91923, - "epsilon_k": 240.30495, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.54969, - "sigma": 3.6858, - "epsilon_k": 216.5288, - "mu": 1.2, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "molarweight": 156.188, - "model_record": { - "m": 4.91136, - "sigma": 3.82029, - "epsilon_k": 249.50624 - } - }, - { - "identifier": { - "cas": "616-47-7", - "name": "n-methylimidazole", - "iupac_name": "1-methylimidazole", - "smiles": "Cn1ccnc1", - "inchi": "InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3" - }, - "molarweight": 82.053, - "model_record": { - "m": 2.89794, - "sigma": 3.40116, - "epsilon_k": 363.10222, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "6117-80-2", - "name": "cis-2-butene-1,4-diol", - "iupac_name": "(z)-but-2-ene-1,4-diol", - "smiles": "OC/C=C\\CO", - "inchi": "InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-" - }, - "molarweight": 88.052, - "model_record": { - "m": 9.22413, - "sigma": 2.04262, - "epsilon_k": 76.2363, - "kappa_ab": 0.4871, - "epsilon_k_ab": 3298.97865, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "102-67-0", - "name": "tripropylaluminum", - "iupac_name": "tripropylalumane", - "smiles": "[Al].[CH2]CC.[CH2]CC.[CH2]CC", - "inchi": "InChI=1S/3C3H7.Al/c3*1-3-2;/h3*1,3H2,2H3;" - }, - "molarweight": 156.146, - "model_record": { - "m": 11.42858, - "sigma": 2.7397, - "epsilon_k": 177.41522 - } - }, - { - "identifier": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "molarweight": 62.037, - "model_record": { - "m": 1.71084, - "sigma": 3.73481, - "epsilon_k": 354.18312, - "kappa_ab": 0.01627, - "epsilon_k_ab": 2120.07538, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "112-36-7", - "name": "diethylene glycol diethyl ether", - "iupac_name": "1-ethoxy-2-(2-ethoxyethoxy)ethane", - "smiles": "CCOCCOCCOCC", - "inchi": "InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3" - }, - "molarweight": 162.126, - "model_record": { - "m": 5.08219, - "sigma": 3.62404, - "epsilon_k": 244.66882, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "98-09-9", - "name": "benzenesulfonyl chloride", - "iupac_name": "benzenesulfonyl chloride", - "smiles": "O=S(=O)(Cl)c1ccccc1", - "inchi": "InChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 175.97, - "model_record": { - "m": 4.12554, - "sigma": 3.54246, - "epsilon_k": 303.50079, - "mu": 4.53, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "molarweight": 44.026, - "model_record": { - "m": 2.1985, - "sigma": 3.06558, - "epsilon_k": 241.37299, - "mu": 1.89, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "molarweight": 146.131, - "model_record": { - "m": 2.7284, - "sigma": 4.5, - "epsilon_k": 277.64522, - "mu": 0.92, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "3021-89-4", - "name": "2-pentyl-2-nonenal", - "iupac_name": "2-pentylnon-2-enal", - "smiles": "CCCCCCC=C(C=O)CCCCC", - "inchi": "InChI=1S/C14H26O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12-13H,3-11H2,1-2H3" - }, - "molarweight": 210.198, - "model_record": { - "m": 6.10799, - "sigma": 3.84204, - "epsilon_k": 264.85777, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2052-15-5", - "name": "levulinic acid n-butyl ester", - "iupac_name": "butyl 4-oxopentanoate", - "smiles": "CCCCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3" - }, - "molarweight": 172.11, - "model_record": { - "m": 6.2412, - "sigma": 3.38379, - "epsilon_k": 244.56369, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "smiles": "CC(=N)O", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "molarweight": 59.037, - "model_record": { - "m": 2.82648, - "sigma": 3.12045, - "epsilon_k": 377.67175, - "kappa_ab": 0.01458, - "epsilon_k_ab": 1624.88542, - "na": 2.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1077-16-3", - "name": "hexylbenzene", - "iupac_name": "hexylbenzene", - "smiles": "CCCCCCc1ccccc1", - "inchi": "InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3" - }, - "molarweight": 162.141, - "model_record": { - "m": 4.43662, - "sigma": 3.90101, - "epsilon_k": 282.00561 - } - }, - { - "identifier": { - "cas": "260-94-6", - "name": "acridine", - "iupac_name": "acridine", - "smiles": "c1ccc2nc3ccccc3cc2c1", - "inchi": "InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H" - }, - "molarweight": 179.073, - "model_record": { - "m": 3.71205, - "sigma": 3.96411, - "epsilon_k": 395.67771, - "mu": 2.09, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1679-06-7", - "name": "2-hexyl mercaptan", - "iupac_name": "hexane-2-thiol", - "smiles": "CCCCC(C)S", - "inchi": "InChI=1S/C6H14S/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 118.082, - "model_record": { - "m": 2.81312, - "sigma": 4.12304, - "epsilon_k": 293.20744, - "kappa_ab": 0.01942, - "epsilon_k_ab": 1147.58996, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7789-60-8", - "name": "phosphorus tribromide", - "iupac_name": "tribromophosphane", - "smiles": "BrP(Br)Br", - "inchi": "InChI=1S/Br3P/c1-4(2)3" - }, - "molarweight": 267.729, - "model_record": { - "m": 1.60557, - "sigma": 4.38212, - "epsilon_k": 475.67749 - } - }, - { - "identifier": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "molarweight": 162.09, - "model_record": { - "m": 4.18557, - "sigma": 4.01414, - "epsilon_k": 210.72432, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-75-2", - "name": "methanesulfonic acid", - "iupac_name": "methanesulfonic acid", - "smiles": "CS(=O)(=O)O", - "inchi": "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)" - }, - "molarweight": 95.988, - "model_record": { - "m": 1.93225, - "sigma": 3.76364, - "epsilon_k": 550.0, - "kappa_ab": 0.00359, - "epsilon_k_ab": 2465.9137, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-11-6", - "name": "diiodomethane", - "iupac_name": "diiodomethane", - "smiles": "ICI", - "inchi": "InChI=1S/CH2I2/c2-1-3/h1H2" - }, - "molarweight": 267.825, - "model_record": { - "m": 2.45007, - "sigma": 3.6152, - "epsilon_k": 381.05637, - "mu": 1.22 - } - }, - { - "identifier": { - "cas": "560-21-4", - "name": "2,3,3-trimethylpentane", - "iupac_name": "2,3,3-trimethylpentane", - "smiles": "CCC(C)(C)C(C)C", - "inchi": "InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.01529, - "sigma": 4.10282, - "epsilon_k": 267.9794 - } - }, - { - "identifier": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 118.099, - "model_record": { - "m": 3.91607, - "sigma": 3.61252, - "epsilon_k": 252.7632, - "kappa_ab": 0.01399, - "epsilon_k_ab": 1321.38124, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "17312-57-1", - "name": "3-methyldodecane", - "iupac_name": "3-methyldodecane", - "smiles": "CCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C13H28/c1-4-6-7-8-9-10-11-12-13(3)5-2/h13H,4-12H2,1-3H3" - }, - "molarweight": 184.219, - "model_record": { - "m": 5.09082, - "sigma": 4.03664, - "epsilon_k": 261.16021 - } - }, - { - "identifier": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "molarweight": 82.078, - "model_record": { - "m": 3.39085, - "sigma": 3.49637, - "epsilon_k": 238.34781 - } - }, - { - "identifier": { - "cas": "123-11-5", - "name": "p-anisaldehyde", - "iupac_name": "4-methoxybenzaldehyde", - "smiles": "COc1ccc(C=O)cc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3" - }, - "molarweight": 136.052, - "model_record": { - "m": 4.06533, - "sigma": 3.49039, - "epsilon_k": 321.95773, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "molarweight": 56.063, - "model_record": { - "m": 2.32053, - "sigma": 3.62326, - "epsilon_k": 226.55317 - } - }, - { - "identifier": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "molarweight": 111.985, - "model_record": { - "m": 2.73596, - "sigma": 3.61252, - "epsilon_k": 298.81339, - "mu": 2.08 - } - }, - { - "identifier": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "molarweight": 104.084, - "model_record": { - "m": 3.38498, - "sigma": 3.63042, - "epsilon_k": 238.28813, - "mu": 1.22016, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "molarweight": 256.24, - "model_record": { - "m": 5.64924, - "sigma": 4.24137, - "epsilon_k": 295.39763, - "kappa_ab": 0.00241, - "epsilon_k_ab": 3983.98057, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7564-63-8", - "name": "ortho-ethyl-styrene", - "iupac_name": "1-ethenyl-2-ethylbenzene", - "smiles": "C=Cc1ccccc1CC", - "inchi": "InChI=1S/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3" - }, - "molarweight": 132.094, - "model_record": { - "m": 2.99003, - "sigma": 4.09472, - "epsilon_k": 329.13116 - } - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 170.203, - "model_record": { - "m": 5.49496, - "sigma": 3.83291, - "epsilon_k": 244.83939 - } - }, - { - "identifier": { - "cas": "10049-04-4", - "name": "chlorine dioxide", - "smiles": "[O][Cl+][O-]", - "inchi": "InChI=1S/ClO2/c2-1-3" - }, - "molarweight": 66.959, - "model_record": { - "m": 3.03738, - "sigma": 2.56467, - "epsilon_k": 205.01074, - "mu": 1.78, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "121-73-3", - "name": "3-chloronitrobenzene", - "iupac_name": "1-chloro-3-nitrobenzene", - "smiles": "O=[N+]([O-])c1cccc(Cl)c1", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" - }, - "molarweight": 156.993, - "model_record": { - "m": 3.34881, - "sigma": 3.67014, - "epsilon_k": 337.47744, - "mu": 3.73, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "4259-00-1", - "name": "1,1,2-trimethylcyclopentane", - "iupac_name": "1,1,2-trimethylcyclopentane", - "smiles": "CC1CCCC1(C)C", - "inchi": "InChI=1S/C8H16/c1-7-5-4-6-8(7,2)3/h7H,4-6H2,1-3H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.87026, - "sigma": 4.07073, - "epsilon_k": 276.98549 - } - }, - { - "identifier": { - "cas": "770-69-4", - "name": "1-ethyltricyclo(3.3.1.1(3,7))decane", - "iupac_name": "1-ethyladamantane", - "smiles": "CCC12CC3CC(CC(C3)C1)C2", - "inchi": "InChI=1S/C12H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3" - }, - "molarweight": 164.157, - "model_record": { - "m": 3.53707, - "sigma": 4.11573, - "epsilon_k": 314.71987 - } - }, - { - "identifier": { - "cas": "75-98-9", - "name": "pivalic acid", - "iupac_name": "2,2-dimethylpropanoic acid", - "smiles": "CC(C)(C)C(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)" - }, - "molarweight": 102.068, - "model_record": { - "m": 5.93129, - "sigma": 2.92747, - "epsilon_k": 222.2911, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3165.41239, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "123-96-6", - "name": "2-octanol", - "iupac_name": "octan-2-ol", - "smiles": "CCCCCCC(C)O", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 3.52503, - "sigma": 4.002, - "epsilon_k": 277.11137, - "kappa_ab": 0.00198, - "epsilon_k_ab": 2823.06834, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "molarweight": 48.003, - "model_record": { - "m": 1.84943, - "sigma": 3.35444, - "epsilon_k": 275.59785, - "kappa_ab": 0.00079, - "epsilon_k_ab": 1216.66528, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "13352-75-5", - "name": "tetramethylene glycoldimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxymethoxy)methane", - "smiles": "COCOCOCOCOC", - "inchi": "InChI=1S/C6H14O5/c1-7-3-9-5-11-6-10-4-8-2/h3-6H2,1-2H3" - }, - "molarweight": 166.084, - "model_record": { - "m": 5.66809, - "sigma": 3.32935, - "epsilon_k": 239.25585, - "nb": 5.0 - } - }, - { - "identifier": { - "cas": "101791-53-1", - "name": "2,4,6-trimethyltetradecane", - "smiles": "CCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C17H36/c1-6-7-8-9-10-11-12-16(4)14-17(5)13-15(2)3/h15-17H,6-14H2,1-5H3" - }, - "molarweight": 240.282, - "model_record": { - "m": 9.2682, - "sigma": 3.54405, - "epsilon_k": 211.93319 - } - }, - { - "identifier": { - "cas": "7446-11-9", - "name": "sulfur trioxide", - "iupac_name": "sulfur trioxide", - "smiles": "O=S(=O)=O", - "inchi": "InChI=1S/O3S/c1-4(2)3" - }, - "molarweight": 79.957, - "model_record": { - "m": 5.5115, - "sigma": 2.11391, - "epsilon_k": 178.96561, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "smiles": "CCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "molarweight": 190.172, - "model_record": { - "m": 5.04295, - "sigma": 3.96072, - "epsilon_k": 283.01384 - } - }, - { - "identifier": { - "cas": "646-30-0", - "name": "nonadecanoic acid", - "iupac_name": "nonadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)" - }, - "molarweight": 298.287, - "model_record": { - "m": 8.37817, - "sigma": 3.89032, - "epsilon_k": 266.3301, - "kappa_ab": 0.00749, - "epsilon_k_ab": 3264.01125, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "103-83-3", - "name": "benzyl dimethylamine", - "iupac_name": "n,n-dimethyl-1-phenylmethanamine", - "smiles": "CN(C)Cc1ccccc1", - "inchi": "InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3" - }, - "molarweight": 135.105, - "model_record": { - "m": 3.57012, - "sigma": 3.87556, - "epsilon_k": 289.92742, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "molarweight": 61.053, - "model_record": { - "m": 1.07233, - "sigma": 4.5, - "epsilon_k": 435.74158, - "kappa_ab": 0.00536, - "epsilon_k_ab": 2132.32983, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "molarweight": 102.032, - "model_record": { - "m": 3.22641, - "sigma": 3.39386, - "epsilon_k": 317.49694, - "mu": 4.98, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "557-98-2", - "name": "2-chloropropylene", - "iupac_name": "2-chloroprop-1-ene", - "smiles": "C=C(C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "molarweight": 76.008, - "model_record": { - "m": 1.9126, - "sigma": 3.82014, - "epsilon_k": 273.17104, - "mu": 1.66 - } - }, - { - "identifier": { - "cas": "507-19-7", - "name": "tert-butyl bromide", - "iupac_name": "2-bromo-2-methylpropane", - "smiles": "CC(C)(C)Br", - "inchi": "InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3" - }, - "molarweight": 135.989, - "model_record": { - "m": 2.55378, - "sigma": 3.84461, - "epsilon_k": 269.49387 - } - }, - { - "identifier": { - "cas": "2396-61-4", - "name": "1,3-dipropylene glycol", - "iupac_name": "3-(3-hydroxypropoxy)propan-1-ol", - "smiles": "OCCCOCCCO", - "inchi": "InChI=1S/C6H14O3/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2" - }, - "molarweight": 134.094, - "model_record": { - "m": 2.48459, - "sigma": 4.31319, - "epsilon_k": 266.22375, - "kappa_ab": 0.03104, - "epsilon_k_ab": 2026.75029, - "na": 2.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "117-81-7", - "name": "bis(2-ethylhexyl) phthalate", - "iupac_name": "bis(2-ethylhexyl) benzene-1,2-dicarboxylate", - "smiles": "CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC", - "inchi": "InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3" - }, - "molarweight": 390.277, - "model_record": { - "m": 11.40213, - "sigma": 3.6536, - "epsilon_k": 240.8758, - "mu": 2.84, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "25117-26-4", - "name": "4-methylhexadecane", - "iupac_name": "4-methylhexadecane", - "smiles": "CCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h17H,4-16H2,1-3H3" - }, - "molarweight": 240.282, - "model_record": { - "m": 5.41139, - "sigma": 4.31962, - "epsilon_k": 282.2964 - } - }, - { - "identifier": { - "cas": "124-09-4", - "name": "1,6-hexanediamine", - "iupac_name": "hexane-1,6-diamine", - "smiles": "NCCCCCCN", - "inchi": "InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2" - }, - "molarweight": 116.131, - "model_record": { - "m": 5.09154, - "sigma": 3.32619, - "epsilon_k": 253.18039, - "kappa_ab": 0.00942, - "epsilon_k_ab": 1099.27912, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 230.152, - "model_record": { - "m": 6.74906, - "sigma": 3.64757, - "epsilon_k": 252.99525, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "1002-69-3", - "name": "1-chlorodecane", - "iupac_name": "1-chlorodecane", - "smiles": "CCCCCCCCCCCl", - "inchi": "InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3" - }, - "molarweight": 176.133, - "model_record": { - "m": 5.07958, - "sigma": 3.80325, - "epsilon_k": 261.66558 - } - }, - { - "identifier": { - "cas": "868-85-9", - "name": "phosphonic acid, dimethyl ester", - "iupac_name": "dimethoxy(oxo)phosphanium", - "smiles": "CO[PH](=O)OC", - "inchi": "InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3" - }, - "molarweight": 110.013, - "model_record": { - "m": 3.42999, - "sigma": 3.35188, - "epsilon_k": 303.80162, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "5392-40-5", - "name": "citral ", - "iupac_name": "(2e)-3,7-dimethylocta-2,6-dienal", - "smiles": "CC(C)=CCCC(C)=CC=O", - "inchi": "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3" - }, - "molarweight": 152.12, - "model_record": { - "m": 5.65245, - "sigma": 3.47273, - "epsilon_k": 254.08179, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2243-27-8", - "name": "nonanenitrile", - "iupac_name": "nonanenitrile", - "smiles": "CCCCCCCCC#N", - "inchi": "InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3" - }, - "molarweight": 139.136, - "model_record": { - "m": 4.4383, - "sigma": 3.77202, - "epsilon_k": 284.63963, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "molarweight": 75.944, - "model_record": { - "m": 1.54291, - "sigma": 3.75115, - "epsilon_k": 354.44842, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "molarweight": 121.973, - "model_record": { - "m": 2.49276, - "sigma": 3.62552, - "epsilon_k": 272.20973, - "mu": 2.01 - } - }, - { - "identifier": { - "cas": "814-78-8", - "name": "methyl isopropenyl ketone", - "iupac_name": "3-methylbut-3-en-2-one", - "smiles": "C=C(C)C(C)=O", - "inchi": "InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3" - }, - "molarweight": 84.058, - "model_record": { - "m": 2.83846, - "sigma": 3.59377, - "epsilon_k": 267.23508, - "mu": 2.74, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "150-46-9", - "name": "triethyl borate", - "iupac_name": "triethyl borate", - "smiles": "CCOB(OCC)OCC", - "inchi": "InChI=1S/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3" - }, - "molarweight": 146.111, - "model_record": { - "m": 4.44593, - "sigma": 3.67289, - "epsilon_k": 221.84511, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "78-94-4", - "name": "methyl vinyl ketone", - "iupac_name": "but-3-en-2-one", - "smiles": "C=CC(C)=O", - "inchi": "InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3" - }, - "molarweight": 70.042, - "model_record": { - "m": 2.52756, - "sigma": 3.52403, - "epsilon_k": 260.98831, - "mu": 3.16, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "molarweight": 86.11, - "model_record": { - "m": 2.69778, - "sigma": 3.94028, - "epsilon_k": 245.5423 - } - }, - { - "identifier": { - "cas": "878-13-7", - "name": "cycloundecanone", - "iupac_name": "cycloundecanone", - "smiles": "O=C1CCCCCCCCCC1", - "inchi": "InChI=1S/C11H20O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h1-10H2" - }, - "molarweight": 168.151, - "model_record": { - "m": 7.98757, - "sigma": 3.09718, - "epsilon_k": 228.16485, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "29171-20-8", - "name": "3,7-dimethyl-6-octen-1-yn-3-ol", - "iupac_name": "3,7-dimethyloct-6-en-1-yn-3-ol", - "smiles": "C#CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3" - }, - "molarweight": 152.12, - "model_record": { - "m": 3.95392, - "sigma": 3.96206, - "epsilon_k": 280.93651, - "kappa_ab": 0.00134, - "epsilon_k_ab": 2384.37607, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "109-70-6", - "name": "1-bromo-3-chloropropane", - "iupac_name": "1-bromo-3-chloropropane", - "smiles": "ClCCCBr", - "inchi": "InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2" - }, - "molarweight": 155.934, - "model_record": { - "m": 3.09228, - "sigma": 3.51255, - "epsilon_k": 296.50315 - } - }, - { - "identifier": { - "cas": "430-66-0", - "name": "1,1,2-trifluoroethane [r143]", - "iupac_name": "1,1,2-trifluoroethane", - "smiles": "FCC(F)F", - "inchi": "InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2" - }, - "molarweight": 84.019, - "model_record": { - "m": 3.27978, - "sigma": 2.9028, - "epsilon_k": 191.06376, - "mu": 1.58 - } - }, - { - "identifier": { - "cas": "3922-36-9", - "name": "1,1,1,7-tetrachloroheptane", - "iupac_name": "1,1,1,7-tetrachloroheptane", - "smiles": "ClCCCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C7H12Cl4/c8-6-4-2-1-3-5-7(9,10)11/h1-6H2" - }, - "molarweight": 235.969, - "model_record": { - "m": 7.81621, - "sigma": 3.18089, - "epsilon_k": 227.01493 - } - }, - { - "identifier": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "molarweight": 108.058, - "model_record": { - "m": 4.22842, - "sigma": 3.27308, - "epsilon_k": 288.00987, - "kappa_ab": 0.00017, - "epsilon_k_ab": 2918.11841, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "13536-94-2", - "name": "deuterium sulfide", - "iupac_name": "(2h2)sulfane", - "smiles": "[2H]S[2H]", - "inchi": "InChI=1S/H2S/h1H2/i/hD2" - }, - "molarweight": 33.988, - "model_record": { - "m": 1.68256, - "sigma": 2.96818, - "epsilon_k": 229.22053 - } - }, - { - "identifier": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" - }, - "molarweight": 254.297, - "model_record": { - "m": 7.77756, - "sigma": 3.88349, - "epsilon_k": 248.90088 - } - }, - { - "identifier": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "molarweight": 86.073, - "model_record": { - "m": 2.78946, - "sigma": 3.61711, - "epsilon_k": 264.54431, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "97-53-0", - "name": "eugenol", - "iupac_name": "2-methoxy-4-prop-2-enylphenol", - "smiles": "C=CCc1ccc(O)c(OC)c1", - "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" - }, - "molarweight": 164.084, - "model_record": { - "m": 2.58307, - "sigma": 4.47169, - "epsilon_k": 354.47428, - "kappa_ab": 0.01615, - "epsilon_k_ab": 2327.01906, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "135-02-4", - "name": "2-methoxybenzaldehyde ", - "iupac_name": "2-methoxybenzaldehyde", - "smiles": "COc1ccccc1C=O", - "inchi": "InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3" - }, - "molarweight": 136.052, - "model_record": { - "m": 4.28145, - "sigma": 3.41771, - "epsilon_k": 309.50905, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "111-47-7", - "name": "dipropylsulfide", - "iupac_name": "1-propylsulfanylpropane", - "smiles": "CCCSCCC", - "inchi": "InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 118.082, - "model_record": { - "m": 4.10318, - "sigma": 3.57885, - "epsilon_k": 247.17224, - "mu": 1.6, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "107-11-9", - "name": "3-amino-1-propene", - "iupac_name": "prop-2-en-1-amine", - "smiles": "C=CCN", - "inchi": "InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2" - }, - "molarweight": 57.058, - "model_record": { - "m": 1.16308, - "sigma": 4.5, - "epsilon_k": 409.51867, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2274.27781, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2768-02-7", - "name": "vinyltrimethoxysilane", - "iupac_name": "ethenyl(trimethoxy)silane", - "smiles": "C=C[Si](OC)(OC)OC", - "inchi": "InChI=1S/C5H12O3Si/c1-5-9(6-2,7-3)8-4/h5H,1H2,2-4H3" - }, - "molarweight": 148.056, - "model_record": { - "m": 4.65962, - "sigma": 3.48889, - "epsilon_k": 220.17956, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "molarweight": 102.009, - "model_record": { - "m": 3.12135, - "sigma": 3.05561, - "epsilon_k": 165.92164, - "mu": 2.06 - } - }, - { - "identifier": { - "cas": "78-40-0", - "name": "triethyl phosphate", - "iupac_name": "triethyl phosphate", - "smiles": "CCOP(=O)(OCC)OCC", - "inchi": "InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3" - }, - "molarweight": 182.071, - "model_record": { - "m": 5.70786, - "sigma": 3.43785, - "epsilon_k": 243.78147, - "mu": 3.09, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "78-90-0", - "name": "1,2-propanediamine", - "iupac_name": "propane-1,2-diamine", - "smiles": "CC(N)CN", - "inchi": "InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3" - }, - "molarweight": 74.084, - "model_record": { - "m": 3.91558, - "sigma": 3.11145, - "epsilon_k": 231.96745, - "kappa_ab": 0.27378, - "epsilon_k_ab": 406.14917, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "molarweight": 168.094, - "model_record": { - "m": 4.27215, - "sigma": 3.82054, - "epsilon_k": 314.71829 - } - }, - { - "identifier": { - "cas": "589-98-0", - "name": "3-octanol", - "iupac_name": "octan-3-ol", - "smiles": "CCCCCC(O)CC", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 4.63658, - "sigma": 3.62516, - "epsilon_k": 244.16818, - "kappa_ab": 0.00275, - "epsilon_k_ab": 2484.90408, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "99-54-7", - "name": "3,4-dichloronitrobenzene", - "iupac_name": "1,2-dichloro-4-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccc(Cl)c(Cl)c1", - "inchi": "InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H" - }, - "molarweight": 190.954, - "model_record": { - "m": 4.23373, - "sigma": 3.49076, - "epsilon_k": 320.0502, - "mu": 2.17, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "molarweight": 79.042, - "model_record": { - "m": 2.64908, - "sigma": 3.46646, - "epsilon_k": 301.81333, - "mu": 2.19, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1678-93-9", - "name": "n-butylcyclohexane", - "iupac_name": "butylcyclohexane", - "smiles": "CCCCC1CCCCC1", - "inchi": "InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3" - }, - "molarweight": 140.157, - "model_record": { - "m": 3.73574, - "sigma": 4.00758, - "epsilon_k": 279.99563 - } - }, - { - "identifier": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "molarweight": 98.073, - "model_record": { - "m": 2.83191, - "sigma": 3.71161, - "epsilon_k": 309.90592, - "mu": 3.1, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "5989-54-8", - "name": "l-(-)-limonene", - "iupac_name": "(4s)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.67898, - "sigma": 3.91874, - "epsilon_k": 282.85975 - } - }, - { - "identifier": { - "cas": "629-27-6", - "name": "1-iodooctane", - "iupac_name": "1-iodooctane", - "smiles": "CCCCCCCCI", - "inchi": "InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3" - }, - "molarweight": 240.037, - "model_record": { - "m": 3.01899, - "sigma": 4.40414, - "epsilon_k": 345.15229 - } - }, - { - "identifier": { - "cas": "629-14-1", - "name": "1,2-diethoxyethane", - "iupac_name": "1,2-diethoxyethane", - "smiles": "CCOCCOCC", - "inchi": "InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3" - }, - "molarweight": 118.099, - "model_record": { - "m": 4.67255, - "sigma": 3.38567, - "epsilon_k": 219.21063, - "mu": 1.07026, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "593-49-7", - "name": "heptacosane", - "iupac_name": "heptacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3" - }, - "molarweight": 380.438, - "model_record": { - "m": 11.1418, - "sigma": 3.91534, - "epsilon_k": 250.82568 - } - }, - { - "identifier": { - "cas": "659-70-1", - "name": "3-methylbutanoic acid 3-methylbutyl ester", - "iupac_name": "3-methylbutyl 3-methylbutanoate", - "smiles": "CC(C)CCOC(=O)CC(C)C", - "inchi": "InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3" - }, - "molarweight": 172.146, - "model_record": { - "m": 3.84758, - "sigma": 4.15503, - "epsilon_k": 279.37646, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "359-10-4", - "name": "1-chloro-2,2-difluoroethylene (r1122)", - "iupac_name": "2-chloro-1,1-difluoroethene", - "smiles": "FC(F)=CCl", - "inchi": "InChI=1S/C2HClF2/c3-1-2(4)5/h1H" - }, - "molarweight": 97.973, - "model_record": { - "m": 2.54285, - "sigma": 3.27944, - "epsilon_k": 202.77134 - } - }, - { - "identifier": { - "cas": "106-32-1", - "name": "octanoic acid ethyl ester", - "iupac_name": "ethyl octanoate", - "smiles": "CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3" - }, - "molarweight": 172.146, - "model_record": { - "m": 5.48341, - "sigma": 3.66468, - "epsilon_k": 243.41624, - "mu": 1.75, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "molarweight": 87.994, - "model_record": { - "m": 2.19671, - "sigma": 3.1292, - "epsilon_k": 122.12982 - } - }, - { - "identifier": { - "cas": "96-43-5", - "name": "2-chlorothiophene", - "iupac_name": "2-chlorothiophene", - "smiles": "Clc1cccs1", - "inchi": "InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H" - }, - "molarweight": 117.964, - "model_record": { - "m": 2.10544, - "sigma": 3.93294, - "epsilon_k": 360.09788, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "molarweight": 278.152, - "model_record": { - "m": 7.33185, - "sigma": 3.71951, - "epsilon_k": 272.13483, - "mu": 2.82, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "molarweight": 100.089, - "model_record": { - "m": 3.51266, - "sigma": 3.6135, - "epsilon_k": 248.15792, - "mu": 2.8, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "502-69-2", - "name": "6,10,14-trimethyl-2-pentadecanone", - "iupac_name": "6,10,14-trimethylpentadecan-2-one", - "smiles": "CC(=O)CCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3" - }, - "molarweight": 268.277, - "model_record": { - "m": 5.0591, - "sigma": 4.5, - "epsilon_k": 306.00675, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "138-22-7", - "name": "n-butyl lactate", - "iupac_name": "butyl 2-hydroxypropanoate", - "smiles": "CCCCOC(=O)C(C)O", - "inchi": "InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3" - }, - "molarweight": 146.094, - "model_record": { - "m": 4.72982, - "sigma": 3.51655, - "epsilon_k": 254.63974, - "kappa_ab": 0.00154, - "epsilon_k_ab": 1506.24418, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 123.032, - "model_record": { - "m": 3.28514, - "sigma": 3.54981, - "epsilon_k": 313.00086, - "mu": 4.22, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2765-18-6", - "name": "1-propyl naphthalene", - "iupac_name": "1-propylnaphthalene", - "smiles": "CCCc1cccc2ccccc12", - "inchi": "InChI=1S/C13H14/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-5,7-10H,2,6H2,1H3" - }, - "molarweight": 170.11, - "model_record": { - "m": 4.20655, - "sigma": 3.88611, - "epsilon_k": 321.42408 - } - }, - { - "identifier": { - "cas": "504-03-0", - "name": "2,6-dimethylpiperidine", - "iupac_name": "2,6-dimethylpiperidine", - "smiles": "CC1CCCC(C)N1", - "inchi": "InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3" - }, - "molarweight": 113.12, - "model_record": { - "m": 2.13846, - "sigma": 4.5, - "epsilon_k": 313.64433, - "kappa_ab": 0.05258, - "epsilon_k_ab": 1235.41767, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "78-00-2", - "name": "tetraethylplumbane", - "iupac_name": "tetraethylplumbane", - "smiles": "[CH2]C.[CH2]C.[CH2]C.[CH2]C.[Pb]", - "inchi": "InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;" - }, - "molarweight": 324.133, - "model_record": { - "m": 3.48007, - "sigma": 4.30258, - "epsilon_k": 309.62636 - } - }, - { - "identifier": { - "cas": "1120-28-1", - "name": "eicosanoic acid methyl ester", - "iupac_name": "methyl icosanoate", - "smiles": "CCCCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3" - }, - "molarweight": 326.318, - "model_record": { - "m": 11.74916, - "sigma": 3.53438, - "epsilon_k": 225.69967, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "19780-66-6", - "name": "2-methyl-3-ethyl-1-pentene", - "iupac_name": "3-ethyl-2-methylpent-1-ene", - "smiles": "C=C(C)C(CC)CC", - "inchi": "InChI=1S/C8H16/c1-5-8(6-2)7(3)4/h8H,3,5-6H2,1-2,4H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.26285, - "sigma": 3.96422, - "epsilon_k": 253.39823 - } - }, - { - "identifier": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "molarweight": 76.052, - "model_record": { - "m": 3.10436, - "sigma": 3.29131, - "epsilon_k": 223.54729, - "mu": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "591-95-7", - "name": "1,2-pentadiene", - "iupac_name": "penta-1,2-diene", - "smiles": "C=C=CCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3" - }, - "molarweight": 68.063, - "model_record": { - "m": 2.69215, - "sigma": 3.58319, - "epsilon_k": 242.20223 - } - }, - { - "identifier": { - "cas": "115-21-9", - "name": "trichloroethylsilane", - "iupac_name": "trichloro(ethyl)silane", - "smiles": "CC[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3" - }, - "molarweight": 161.923, - "model_record": { - "m": 3.07711, - "sigma": 3.86316, - "epsilon_k": 257.40105 - } - }, - { - "identifier": { - "cas": "120-12-7", - "name": "anthracene", - "iupac_name": "anthracene", - "smiles": "c1ccc2cc3ccccc3cc2c1", - "inchi": "InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H" - }, - "molarweight": 178.078, - "model_record": { - "m": 3.21395, - "sigma": 4.21848, - "epsilon_k": 423.5456 - } - }, - { - "identifier": { - "cas": "1632-70-8", - "name": "5-methylundecane", - "iupac_name": "5-methylundecane", - "smiles": "CCCCCCC(C)CCCC", - "inchi": "InChI=1S/C12H26/c1-4-6-8-9-11-12(3)10-7-5-2/h12H,4-11H2,1-3H3" - }, - "molarweight": 170.203, - "model_record": { - "m": 5.23401, - "sigma": 3.89, - "epsilon_k": 246.68655 - } - }, - { - "identifier": { - "cas": "2244-16-8", - "name": "(s)-(+)-carvone", - "iupac_name": "(5s)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one", - "smiles": "C=C(C)[C@@H]1CC=C(C)C(=O)C1", - "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1" - }, - "molarweight": 150.104, - "model_record": { - "m": 4.106, - "sigma": 3.77076, - "epsilon_k": 302.43737, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1522-22-1", - "name": "1,1,1,5,5,5-hexafluoro-2,4-pentanedione", - "iupac_name": "1,1,1,5,5,5-hexafluoropentane-2,4-dione", - "smiles": "O=C(CC(=O)C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2" - }, - "molarweight": 207.996, - "model_record": { - "m": 4.61646, - "sigma": 3.1243, - "epsilon_k": 195.3255, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "821-55-6", - "name": "2-nonanone", - "iupac_name": "nonan-2-one", - "smiles": "CCCCCCCC(C)=O", - "inchi": "InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3" - }, - "molarweight": 142.136, - "model_record": { - "m": 4.71246, - "sigma": 3.69989, - "epsilon_k": 256.06192, - "mu": 2.55, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "105-45-3", - "name": "methyl acetoacetate", - "iupac_name": "methyl 3-oxobutanoate", - "smiles": "COC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3" - }, - "molarweight": 116.047, - "model_record": { - "m": 4.01296, - "sigma": 3.33213, - "epsilon_k": 269.61534, - "mu": 3.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "2532-58-3", - "name": "cis-1,3-dimethylcyclopentane", - "iupac_name": "(1s,3r)-1,3-dimethylcyclopentane", - "smiles": "C[C@@H]1CC[C@H](C)C1", - "inchi": "InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7+" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.84978, - "sigma": 3.92513, - "epsilon_k": 263.71583 - } - }, - { - "identifier": { - "cas": "20348-51-0", - "name": "cis-2-decene", - "iupac_name": "(z)-dec-2-ene", - "smiles": "C/C=C\\CCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3-" - }, - "molarweight": 140.157, - "model_record": { - "m": 4.37143, - "sigma": 3.86282, - "epsilon_k": 253.04598 - } - }, - { - "identifier": { - "cas": "105-68-0", - "name": "isoamyl propionate", - "iupac_name": "3-methylbutyl propanoate", - "smiles": "CCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3" - }, - "molarweight": 144.115, - "model_record": { - "m": 4.28178, - "sigma": 3.75157, - "epsilon_k": 249.91597, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "542-59-6", - "name": "glycol monoacetate", - "iupac_name": "2-hydroxyethyl acetate", - "smiles": "CC(=O)OCCO", - "inchi": "InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3" - }, - "molarweight": 104.047, - "model_record": { - "m": 5.84843, - "sigma": 2.79386, - "epsilon_k": 240.78674, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1761.6974, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "1459-93-4", - "name": "1,3-benzenedicarboxylic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,3-dicarboxylate", - "smiles": "COC(=O)c1cccc(C(=O)OC)c1", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3" - }, - "molarweight": 194.058, - "model_record": { - "m": 5.29754, - "sigma": 3.51856, - "epsilon_k": 295.20138, - "mu": 2.23, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "molarweight": 184.219, - "model_record": { - "m": 5.6357, - "sigma": 3.82246, - "epsilon_k": 252.01401 - } - }, - { - "identifier": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "molarweight": 134.094, - "model_record": { - "m": 5.03781, - "sigma": 3.3504, - "epsilon_k": 234.66738, - "mu": 1.97, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "100-48-1", - "name": "4-cyanopyridine", - "iupac_name": "pyridine-4-carbonitrile", - "smiles": "N#Cc1ccncc1", - "inchi": "InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H" - }, - "molarweight": 104.037, - "model_record": { - "m": 3.78185, - "sigma": 3.27969, - "epsilon_k": 303.76325, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "molarweight": 86.073, - "model_record": { - "m": 1.92092, - "sigma": 4.10628, - "epsilon_k": 346.84328, - "kappa_ab": 0.00178, - "epsilon_k_ab": 2887.06558, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2243-98-3", - "name": "1-undecyne", - "iupac_name": "undec-1-yne", - "smiles": "C#CCCCCCCCCC", - "inchi": "InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3" - }, - "molarweight": 152.157, - "model_record": { - "m": 5.22298, - "sigma": 3.70663, - "epsilon_k": 242.80053 - } - }, - { - "identifier": { - "cas": "1113-31-1", - "name": "1,1-dichloro-n,n-dimethylboranamine", - "iupac_name": "n-dichloroboranyl-n-methylmethanamine", - "smiles": "CN(C)B(Cl)Cl", - "inchi": "InChI=1S/C2H6BCl2N/c1-6(2)3(4)5/h1-2H3" - }, - "molarweight": 124.997, - "model_record": { - "m": 2.53162, - "sigma": 3.88987, - "epsilon_k": 306.44194, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "molarweight": 18.011, - "model_record": { - "m": 2.36948, - "sigma": 2.15072, - "epsilon_k": 230.71557, - "kappa_ab": 0.35319, - "epsilon_k_ab": 2195.10176, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "372-18-9", - "name": "1,3-difluorobenzene", - "iupac_name": "1,3-difluorobenzene", - "smiles": "Fc1cccc(F)c1", - "inchi": "InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "molarweight": 114.028, - "model_record": { - "m": 3.08309, - "sigma": 3.47672, - "epsilon_k": 251.55524, - "mu": 1.58 - } - }, - { - "identifier": { - "cas": "620-14-4", - "name": "1-ethyl-3-methylbenzene", - "iupac_name": "1-ethyl-3-methylbenzene", - "smiles": "CCc1cccc(C)c1", - "inchi": "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3" - }, - "molarweight": 120.094, - "model_record": { - "m": 3.34355, - "sigma": 3.85007, - "epsilon_k": 290.05898 - } - }, - { - "identifier": { - "cas": "98-94-2", - "name": "n,n-dimethylcyclohexylamine", - "iupac_name": "n,n-dimethylcyclohexanamine", - "smiles": "CN(C)C1CCCCC1", - "inchi": "InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3" - }, - "molarweight": 127.136, - "model_record": { - "m": 3.28814, - "sigma": 3.96542, - "epsilon_k": 290.78798, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "141-93-5", - "name": "1,3-diethylbenzene", - "iupac_name": "1,3-diethylbenzene", - "smiles": "CCc1cccc(CC)c1", - "inchi": "InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.79773, - "sigma": 3.8322, - "epsilon_k": 281.05235 - } - }, - { - "identifier": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 4.21629, - "sigma": 3.76732, - "epsilon_k": 239.48731, - "mu": 1.2, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "19353-21-0", - "name": "3,4-dimethylpentanal", - "iupac_name": "3,4-dimethylpentanal", - "smiles": "CC(C)C(C)CC=O", - "inchi": "InChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h5-7H,4H2,1-3H3" - }, - "molarweight": 114.104, - "model_record": { - "m": 3.51585, - "sigma": 3.75619, - "epsilon_k": 270.25784, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1560-97-0", - "name": "2-methyldodecane", - "iupac_name": "2-methyldodecane", - "smiles": "CCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3" - }, - "molarweight": 184.219, - "model_record": { - "m": 5.383, - "sigma": 3.96526, - "epsilon_k": 253.72926 - } - }, - { - "identifier": { - "cas": "542-69-8", - "name": "1-iodobutane", - "iupac_name": "1-iodobutane", - "smiles": "CCCCI", - "inchi": "InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3" - }, - "molarweight": 183.975, - "model_record": { - "m": 2.9755, - "sigma": 3.74363, - "epsilon_k": 287.47016, - "mu": 2.12 - } - }, - { - "identifier": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "molarweight": 120.094, - "model_record": { - "m": 3.25816, - "sigma": 3.88643, - "epsilon_k": 287.70609 - } - }, - { - "identifier": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "molarweight": 95.953, - "model_record": { - "m": 2.0387, - "sigma": 3.67649, - "epsilon_k": 275.86193, - "mu": 1.34 - } - }, - { - "identifier": { - "cas": "97-95-0", - "name": "2-ethyl-1-butanol", - "iupac_name": "2-ethylbutan-1-ol", - "smiles": "CCC(CC)CO", - "inchi": "InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 1.97846, - "sigma": 4.5, - "epsilon_k": 359.77403, - "kappa_ab": 0.00014, - "epsilon_k_ab": 3442.68364, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "molarweight": 102.009, - "model_record": { - "m": 3.01931, - "sigma": 3.05779, - "epsilon_k": 178.66968, - "mu": 1.7 - } - }, - { - "identifier": { - "cas": "111-92-2", - "name": "dibutylamine", - "iupac_name": "n-butylbutan-1-amine", - "smiles": "CCCCNCCCC", - "inchi": "InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3" - }, - "molarweight": 129.152, - "model_record": { - "m": 2.87347, - "sigma": 4.3743, - "epsilon_k": 304.20185, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2686.96987, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "57-11-4", - "name": "stearic acid", - "iupac_name": "octadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" - }, - "molarweight": 284.272, - "model_record": { - "m": 6.37168, - "sigma": 4.2222, - "epsilon_k": 291.22148, - "kappa_ab": 0.00238, - "epsilon_k_ab": 4030.38606, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "100-80-1", - "name": "3-methylstyrene <3-vinyltoluene>", - "iupac_name": "1-ethenyl-3-methylbenzene", - "smiles": "C=Cc1cccc(C)c1", - "inchi": "InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3" - }, - "molarweight": 118.078, - "model_record": { - "m": 3.54515, - "sigma": 3.69698, - "epsilon_k": 288.84016 - } - }, - { - "identifier": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "molarweight": 171.852, - "model_record": { - "m": 2.37875, - "sigma": 3.40645, - "epsilon_k": 313.97633, - "mu": 1.43 - } - }, - { - "identifier": { - "cas": "616-23-9", - "name": "2,3-dichloro-1-propanol", - "iupac_name": "2,3-dichloropropan-1-ol", - "smiles": "OCC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2" - }, - "molarweight": 127.98, - "model_record": { - "m": 1.57007, - "sigma": 4.5, - "epsilon_k": 446.70373, - "kappa_ab": 0.00207, - "epsilon_k_ab": 2724.29424, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2070-70-4", - "name": "perfluoro-2-methyl-3-pentene", - "iupac_name": "(e)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene", - "smiles": "F/C(=C(/F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18/b2-1+" - }, - "molarweight": 299.981, - "model_record": { - "m": 4.85514, - "sigma": 3.53899, - "epsilon_k": 169.2563 - } - }, - { - "identifier": { - "cas": "4565-32-6", - "name": "2,3-dihydrobenzothiophene <1-thiaindan>", - "iupac_name": "2,3-dihydro-1-benzothiophene", - "smiles": "c1ccc2c(c1)CCS2", - "inchi": "InChI=1S/C8H8S/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2" - }, - "molarweight": 136.035, - "model_record": { - "m": 3.1083, - "sigma": 3.81988, - "epsilon_k": 361.88651, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-65-0", - "name": "dimethyl succinate", - "iupac_name": "dimethyl butanedioate", - "smiles": "COC(=O)CCC(=O)OC", - "inchi": "InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3" - }, - "molarweight": 146.058, - "model_record": { - "m": 5.26317, - "sigma": 3.23551, - "epsilon_k": 250.69308, - "mu": 2.16, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "60435-70-3", - "name": "2-methyl-1-heptanol", - "iupac_name": "2-methylheptan-1-ol", - "smiles": "CCCCCC(C)CO", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-8(2)7-9/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 2.62364, - "sigma": 4.46435, - "epsilon_k": 330.61678, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3402.33868, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "695-06-7", - "name": "gamma-caprolactone", - "iupac_name": "5-ethyloxolan-2-one", - "smiles": "CCC1CCC(=O)O1", - "inchi": "InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3" - }, - "molarweight": 114.068, - "model_record": { - "m": 3.06715, - "sigma": 3.74185, - "epsilon_k": 358.45463, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "78-99-9", - "name": "1,1-dichloropropane", - "iupac_name": "1,1-dichloropropane", - "smiles": "CCC(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3" - }, - "molarweight": 111.985, - "model_record": { - "m": 2.72542, - "sigma": 3.63709, - "epsilon_k": 271.36938, - "mu": 2.08 - } - }, - { - "identifier": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "molarweight": 49.992, - "model_record": { - "m": 1.874, - "sigma": 3.24642, - "epsilon_k": 225.93053, - "mu": 1.87 - } - }, - { - "identifier": { - "cas": "5637-96-7", - "name": "9-(2-phenylethyl)heptadecane", - "iupac_name": "3-octylundecylbenzene", - "smiles": "CCCCCCCCC(CCCCCCCC)CCc1ccccc1", - "inchi": "InChI=1S/C25H44/c1-3-5-7-9-11-14-18-24(19-15-12-10-8-6-4-2)22-23-25-20-16-13-17-21-25/h13,16-17,20-21,24H,3-12,14-15,18-19,22-23H2,1-2H3" - }, - "molarweight": 344.344, - "model_record": { - "m": 8.85479, - "sigma": 4.02601, - "epsilon_k": 267.74729 - } - }, - { - "identifier": { - "cas": "97-93-8", - "name": "triethylaluminum", - "iupac_name": "triethylalumane", - "smiles": "[Al].[CH2]C.[CH2]C.[CH2]C", - "inchi": "InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3;" - }, - "molarweight": 114.099, - "model_record": { - "m": 11.86856, - "sigma": 2.43218, - "epsilon_k": 175.96161 - } - }, - { - "identifier": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "molarweight": 106.078, - "model_record": { - "m": 3.12139, - "sigma": 3.78548, - "epsilon_k": 286.60798 - } - }, - { - "identifier": { - "cas": "2550-06-3", - "name": "(3-chloropropyl)trichlorosilane", - "iupac_name": "trichloro(3-chloropropyl)silane", - "smiles": "ClCCC[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl4Si/c4-2-1-3-8(5,6)7/h1-3H2" - }, - "molarweight": 209.899, - "model_record": { - "m": 4.1018, - "sigma": 3.72301, - "epsilon_k": 270.88173 - } - }, - { - "identifier": { - "cas": "107-25-5", - "name": "methyl vinyl ether", - "iupac_name": "methoxyethene", - "smiles": "C=COC", - "inchi": "InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3" - }, - "molarweight": 58.042, - "model_record": { - "m": 2.34442, - "sigma": 3.4151, - "epsilon_k": 231.77055, - "mu": 1.11, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "molarweight": 68.063, - "model_record": { - "m": 2.13665, - "sigma": 3.88326, - "epsilon_k": 272.07785, - "mu": 0.81 - } - }, - { - "identifier": { - "cas": "17348-59-3", - "name": "isopropyl tert-butyl ether", - "iupac_name": "2-methyl-2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)(C)C", - "inchi": "InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3" - }, - "molarweight": 116.12, - "model_record": { - "m": 3.52018, - "sigma": 3.84456, - "epsilon_k": 228.32192, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "molarweight": 144.151, - "model_record": { - "m": 4.05376, - "sigma": 3.93978, - "epsilon_k": 277.88672, - "kappa_ab": 0.00254, - "epsilon_k_ab": 2917.47097, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "541-73-1", - "name": "m-dichlorobenzene", - "iupac_name": "1,3-dichlorobenzene", - "smiles": "Clc1cccc(Cl)c1", - "inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "molarweight": 145.969, - "model_record": { - "m": 2.88742, - "sigma": 3.81761, - "epsilon_k": 328.28758, - "mu": 1.72 - } - }, - { - "identifier": { - "cas": "625-65-0", - "name": "2,4-dimethyl-2-pentene", - "iupac_name": "2,4-dimethylpent-2-ene", - "smiles": "CC(C)=CC(C)C", - "inchi": "InChI=1S/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H3" - }, - "molarweight": 98.11, - "model_record": { - "m": 3.1563, - "sigma": 3.86085, - "epsilon_k": 241.4735 - } - }, - { - "identifier": { - "cas": "24800-25-7", - "name": "tetrapropylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)COC(C)CO", - "inchi": "InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3" - }, - "molarweight": 250.178, - "model_record": { - "m": 4.11093, - "sigma": 4.5, - "epsilon_k": 332.04242, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3431.41122, - "na": 2.0, - "nb": 5.0 - } - }, - { - "identifier": { - "cas": "1759-58-6", - "name": "trans-1,3-dimethylcyclopentane", - "iupac_name": "(1r,3r)-1,3-dimethylcyclopentane", - "smiles": "C[C@H]1CC[C@H](C)C1", - "inchi": "InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/s2" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.78995, - "sigma": 3.95348, - "epsilon_k": 266.22832 - } - }, - { - "identifier": { - "cas": "78-81-9", - "name": "2-methylpropylamine", - "iupac_name": "2-methylpropan-1-amine", - "smiles": "CC(C)CN", - "inchi": "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3" - }, - "molarweight": 73.089, - "model_record": { - "m": 3.28521, - "sigma": 3.37756, - "epsilon_k": 232.76833, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1914.5902, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "159939-87-4", - "name": "o-isobutyll-s-2-(n,n-diethylamino)-ethylmethylphosphonothioate", - "iupac_name": "n,n-diethyl-2-[methyl(2-methylpropoxy)phosphoryl]sulfanylethanamine", - "smiles": "CCN(CC)CCSP(C)(=O)OCC(C)C", - "inchi": "InChI=1S/C11H26NO2PS/c1-6-12(7-2)8-9-16-15(5,13)14-10-11(3)4/h11H,6-10H2,1-5H3" - }, - "molarweight": 267.142, - "model_record": { - "m": 6.07952, - "sigma": 3.94947, - "epsilon_k": 278.13965, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "molarweight": 270.256, - "model_record": { - "m": 8.09875, - "sigma": 3.78262, - "epsilon_k": 250.23475, - "mu": 1.59, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1560-84-5", - "name": "2-methyleicosane", - "iupac_name": "2-methylicosane", - "smiles": "CCCCCCCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C21H44/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h21H,4-20H2,1-3H3" - }, - "molarweight": 296.344, - "model_record": { - "m": 8.35167, - "sigma": 3.981, - "epsilon_k": 254.67181 - } - }, - { - "identifier": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "molarweight": 152.006, - "model_record": { - "m": 3.63863, - "sigma": 3.23096, - "epsilon_k": 169.44952, - "mu": 1.98 - } - }, - { - "identifier": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "molarweight": 100.125, - "model_record": { - "m": 3.01421, - "sigma": 3.95476, - "epsilon_k": 252.04445 - } - }, - { - "identifier": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "molarweight": 82.042, - "model_record": { - "m": 2.82417, - "sigma": 3.4514, - "epsilon_k": 253.04412, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1678-92-8", - "name": "n-propyl cyclohexane", - "iupac_name": "propylcyclohexane", - "smiles": "CCCC1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "molarweight": 126.141, - "model_record": { - "m": 3.32724, - "sigma": 4.0282, - "epsilon_k": 283.39012 - } - }, - { - "identifier": { - "cas": "7357-93-9", - "name": "2-ethyl-3-methyl-1-butene", - "iupac_name": "2-methyl-3-methylidenepentane", - "smiles": "C=C(CC)C(C)C", - "inchi": "InChI=1S/C7H14/c1-5-7(4)6(2)3/h6H,4-5H2,1-3H3" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.99671, - "sigma": 3.90987, - "epsilon_k": 251.86707 - } - }, - { - "identifier": { - "cas": "111-31-9", - "name": "hexylmercaptan", - "iupac_name": "hexane-1-thiol", - "smiles": "CCCCCCS", - "inchi": "InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "molarweight": 118.082, - "model_record": { - "m": 3.17419, - "sigma": 3.94841, - "epsilon_k": 273.50631, - "kappa_ab": 0.32757, - "epsilon_k_ab": 694.52847, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "88-18-6", - "name": "2-tert-butylphenol", - "iupac_name": "2-tert-butylphenol", - "smiles": "CC(C)(C)c1ccccc1O", - "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3" - }, - "molarweight": 150.104, - "model_record": { - "m": 4.35704, - "sigma": 3.67828, - "epsilon_k": 287.54796, - "kappa_ab": 0.00452, - "epsilon_k_ab": 1424.40389, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "684-16-2", - "name": "perfluoro-2-propanone", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-one", - "smiles": "O=C(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9" - }, - "molarweight": 165.985, - "model_record": { - "m": 3.75359, - "sigma": 3.21514, - "epsilon_k": 151.93805, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-37-6", - "name": "p-dibromobenzene", - "iupac_name": "1,4-dibromobenzene", - "smiles": "Brc1ccc(Br)cc1", - "inchi": "InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "molarweight": 233.868, - "model_record": { - "m": 3.13662, - "sigma": 3.80234, - "epsilon_k": 347.91066 - } - }, - { - "identifier": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "molarweight": 54.047, - "model_record": { - "m": 2.73542, - "sigma": 3.3065, - "epsilon_k": 214.25785, - "mu": 0.8 - } - }, - { - "identifier": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "molarweight": 185.99, - "model_record": { - "m": 3.78235, - "sigma": 3.39118, - "epsilon_k": 221.62509 - } - }, - { - "identifier": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "molarweight": 78.024, - "model_record": { - "m": 2.45129, - "sigma": 3.58053, - "epsilon_k": 253.32939, - "mu": 2.05 - } - }, - { - "identifier": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "molarweight": 73.089, - "model_record": { - "m": 2.30326, - "sigma": 3.91087, - "epsilon_k": 241.99467, - "kappa_ab": 0.05886, - "epsilon_k_ab": 962.21594, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "502-56-7", - "name": "5-nonanone", - "iupac_name": "nonan-5-one", - "smiles": "CCCCC(=O)CCCC", - "inchi": "InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 142.136, - "model_record": { - "m": 4.71781, - "sigma": 3.68017, - "epsilon_k": 252.35146, - "mu": 2.74, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "105-56-6", - "name": "cyanoacetic acid ethyl ester", - "iupac_name": "ethyl 2-cyanoacetate", - "smiles": "CCOC(=O)CC#N", - "inchi": "InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3" - }, - "molarweight": 113.048, - "model_record": { - "m": 4.45764, - "sigma": 3.22649, - "epsilon_k": 283.2992, - "mu": 2.17, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "3698-94-0", - "name": "ethyl octyl sulfide", - "iupac_name": "1-ethylsulfanyloctane", - "smiles": "CCCCCCCCSCC", - "inchi": "InChI=1S/C10H22S/c1-3-5-6-7-8-9-10-11-4-2/h3-10H2,1-2H3" - }, - "molarweight": 174.144, - "model_record": { - "m": 4.834, - "sigma": 3.9091, - "epsilon_k": 271.75181, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "molarweight": 174.043, - "model_record": { - "m": 4.67476, - "sigma": 3.51365, - "epsilon_k": 296.56618, - "mu": 2.52, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "molarweight": 104.084, - "model_record": { - "m": 2.76734, - "sigma": 3.87369, - "epsilon_k": 249.87644, - "kappa_ab": 0.03898, - "epsilon_k_ab": 2045.07106, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2356-61-8", - "name": "1,1,2,2-tetrafluoroethyl-trifluoromethylether", - "iupac_name": "1,1,2,2-tetrafluoro-1-(trifluoromethoxy)ethane", - "smiles": "FC(F)C(F)(F)OC(F)(F)F", - "inchi": "InChI=1S/C3HF7O/c4-1(5)2(6,7)11-3(8,9)10/h1H" - }, - "molarweight": 185.992, - "model_record": { - "m": 4.24789, - "sigma": 3.19334, - "epsilon_k": 157.60742, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "692-23-9", - "name": "n-butyldichloro arsine", - "iupac_name": "butyl(dichloro)arsane", - "smiles": "CCCC[As](Cl)Cl", - "inchi": "InChI=1S/C4H9AsCl2/c1-2-3-4-5(6)7/h2-4H2,1H3" - }, - "molarweight": 201.93, - "model_record": { - "m": 6.35748, - "sigma": 3.89488, - "epsilon_k": 214.49689 - } - }, - { - "identifier": { - "cas": "124-19-6", - "name": "nonanal", - "iupac_name": "nonanal", - "smiles": "CCCCCCCCC=O", - "inchi": "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3" - }, - "molarweight": 142.136, - "model_record": { - "m": 5.19012, - "sigma": 3.55228, - "epsilon_k": 245.15575, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "FC(F)C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "molarweight": 152.006, - "model_record": { - "m": 3.64005, - "sigma": 3.21838, - "epsilon_k": 177.56548, - "mu": 1.17 - } - }, - { - "identifier": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "molarweight": 98.037, - "model_record": { - "m": 4.69111, - "sigma": 2.91043, - "epsilon_k": 199.02602, - "kappa_ab": 0.19141, - "epsilon_k_ab": 2042.36559, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "151-10-0", - "name": "1,3-dimethoxybenzene ", - "iupac_name": "1,3-dimethoxybenzene", - "smiles": "COc1cccc(OC)c1", - "inchi": "InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3" - }, - "molarweight": 138.068, - "model_record": { - "m": 4.53623, - "sigma": 3.41172, - "epsilon_k": 280.83971, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "112-61-8", - "name": "octadecanoic acid methyl ester", - "iupac_name": "methyl octadecanoate", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3" - }, - "molarweight": 298.287, - "model_record": { - "m": 9.24031, - "sigma": 3.73727, - "epsilon_k": 246.10629, - "mu": 1.56, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "molarweight": 158.167, - "model_record": { - "m": 4.16225, - "sigma": 4.03914, - "epsilon_k": 283.50451, - "kappa_ab": 0.00194, - "epsilon_k_ab": 3081.68397, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2162-99-4", - "name": "1,8-dichlorooctane", - "iupac_name": "1,8-dichlorooctane", - "smiles": "ClCCCCCCCCCl", - "inchi": "InChI=1S/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2" - }, - "molarweight": 182.063, - "model_record": { - "m": 5.17941, - "sigma": 3.6282, - "epsilon_k": 273.35267 - } - }, - { - "identifier": { - "cas": "765-03-7", - "name": "1-dodecyne", - "iupac_name": "dodec-1-yne", - "smiles": "C#CCCCCCCCCCC", - "inchi": "InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3" - }, - "molarweight": 166.172, - "model_record": { - "m": 9.93192, - "sigma": 3.03014, - "epsilon_k": 191.85905 - } - }, - { - "identifier": { - "cas": "1455-21-6", - "name": "nonylmercaptan", - "iupac_name": "nonane-1-thiol", - "smiles": "CCCCCCCCCS", - "inchi": "InChI=1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "molarweight": 160.129, - "model_record": { - "m": 2.98269, - "sigma": 4.5, - "epsilon_k": 289.28833, - "kappa_ab": 0.11315, - "epsilon_k_ab": 2004.38786, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "822-23-1", - "name": "octadecyl acetate", - "iupac_name": "octadecyl acetate", - "smiles": "CCCCCCCCCCCCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3" - }, - "molarweight": 312.303, - "model_record": { - "m": 8.19061, - "sigma": 3.97505, - "epsilon_k": 263.03159, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "105-39-5", - "name": "chloroacetic acid ethyl ester", - "iupac_name": "ethyl 2-chloroacetate", - "smiles": "CCOC(=O)CCl", - "inchi": "InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3" - }, - "molarweight": 122.013, - "model_record": { - "m": 3.81691, - "sigma": 3.3492, - "epsilon_k": 260.93517, - "mu": 2.64, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "7045-71-8", - "name": "2-methylundecane", - "iupac_name": "2-methylundecane", - "smiles": "CCCCCCCCCC(C)C", - "inchi": "InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3" - }, - "molarweight": 170.203, - "model_record": { - "m": 4.81946, - "sigma": 4.01748, - "epsilon_k": 257.96331 - } - }, - { - "identifier": { - "cas": "542-85-8", - "name": "ethyl isothiocyanate", - "iupac_name": "isothiocyanatoethane", - "smiles": "CCN=C=S", - "inchi": "InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3" - }, - "molarweight": 87.014, - "model_record": { - "m": 2.419, - "sigma": 3.69059, - "epsilon_k": 337.94773, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "molarweight": 106.078, - "model_record": { - "m": 3.15438, - "sigma": 3.76074, - "epsilon_k": 285.82869 - } - }, - { - "identifier": { - "cas": "939-27-5", - "name": "2-ethyl naphthalene", - "iupac_name": "2-ethylnaphthalene", - "smiles": "CCc1ccc2ccccc2c1", - "inchi": "InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3" - }, - "molarweight": 156.094, - "model_record": { - "m": 3.69338, - "sigma": 3.94125, - "epsilon_k": 336.7933 - } - }, - { - "identifier": { - "cas": "590-67-0", - "name": "1-methylcyclohexanol", - "iupac_name": "1-methylcyclohexan-1-ol", - "smiles": "CC1(O)CCCCC1", - "inchi": "InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3" - }, - "molarweight": 114.104, - "model_record": { - "m": 3.18643, - "sigma": 3.78142, - "epsilon_k": 316.35192, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "4110-50-3", - "name": "ethyl propyl sulfide", - "iupac_name": "1-ethylsulfanylpropane", - "smiles": "CCCSCC", - "inchi": "InChI=1S/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3" - }, - "molarweight": 104.066, - "model_record": { - "m": 3.24088, - "sigma": 3.70779, - "epsilon_k": 266.63413, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "95-65-8", - "name": "3,4-dimethylphenol", - "iupac_name": "3,4-dimethylphenol", - "smiles": "Cc1ccc(O)cc1C", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" - }, - "molarweight": 122.073, - "model_record": { - "m": 1.93625, - "sigma": 4.5, - "epsilon_k": 346.22103, - "kappa_ab": 0.01661, - "epsilon_k_ab": 3308.57958, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7642-15-1", - "name": "cis-4-octene", - "iupac_name": "(z)-oct-4-ene", - "smiles": "CCC/C=C\\CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.17631, - "sigma": 4.02573, - "epsilon_k": 266.85123 - } - }, - { - "identifier": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "molarweight": 120.071, - "model_record": { - "m": 3.55153, - "sigma": 3.72398, - "epsilon_k": 262.58452 - } - }, - { - "identifier": { - "cas": "621-71-6", - "name": "decanoic acid 1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(decanoyloxy)propyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC", - "inchi": "InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3" - }, - "molarweight": 554.455, - "model_record": { - "m": 11.27186, - "sigma": 4.2548, - "epsilon_k": 278.04733, - "nb": 6.0 - } - }, - { - "identifier": { - "cas": "7784-42-1", - "name": "arsine", - "iupac_name": "arsane", - "smiles": "[AsH3]", - "inchi": "InChI=1S/AsH3/h1H3" - }, - "molarweight": 77.945, - "model_record": { - "m": 1.04468, - "sigma": 3.96443, - "epsilon_k": 290.02617 - } - }, - { - "identifier": { - "cas": "108-16-7", - "name": "1-dimethylamino-2-propanol", - "iupac_name": "1-(dimethylamino)propan-2-ol", - "smiles": "CC(O)CN(C)C", - "inchi": "InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3" - }, - "molarweight": 103.1, - "model_record": { - "m": 3.44703, - "sigma": 3.62024, - "epsilon_k": 262.8723, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2013.97126, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "molarweight": 104.064, - "model_record": { - "m": 4.54615, - "sigma": 3.15341, - "epsilon_k": 194.5729, - "mu": 0.81, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "112-92-5", - "name": "1-octadecanol", - "iupac_name": "octadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3" - }, - "molarweight": 270.292, - "model_record": { - "m": 7.13973, - "sigma": 4.03896, - "epsilon_k": 273.24096, - "kappa_ab": 0.00165, - "epsilon_k_ab": 3153.70404, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2551-62-4", - "name": "sulfur hexafluoride", - "iupac_name": "hexafluoro-lambda6-sulfane", - "smiles": "FS(F)(F)(F)(F)F", - "inchi": "InChI=1S/F6S/c1-7(2,3,4,5)6" - }, - "molarweight": 145.962, - "model_record": { - "m": 2.50486, - "sigma": 3.31977, - "epsilon_k": 160.81886 - } - }, - { - "identifier": { - "cas": "100-60-7", - "name": "n-methylcyclohexylamine", - "iupac_name": "n-methylcyclohexanamine", - "smiles": "CNC1CCCCC1", - "inchi": "InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3" - }, - "molarweight": 113.12, - "model_record": { - "m": 2.07071, - "sigma": 4.5, - "epsilon_k": 337.85621, - "kappa_ab": 0.03507, - "epsilon_k_ab": 1477.42568, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "540-67-0", - "name": "methyl ethyl ether", - "iupac_name": "methoxyethane", - "smiles": "CCOC", - "inchi": "InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3" - }, - "molarweight": 60.058, - "model_record": { - "m": 2.70452, - "sigma": 3.35445, - "epsilon_k": 213.00357, - "mu": 1.23, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1074-43-7", - "name": "m-propyltoluene", - "iupac_name": "1-methyl-3-propylbenzene", - "smiles": "CCCc1cccc(C)c1", - "inchi": "InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.73005, - "sigma": 3.8616, - "epsilon_k": 284.13799 - } - }, - { - "identifier": { - "cas": "1604-34-8", - "name": "6,10-dimethyl-2-undecanone", - "iupac_name": "6,10-dimethylundecan-2-one", - "smiles": "CC(=O)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3" - }, - "molarweight": 198.198, - "model_record": { - "m": 6.04072, - "sigma": 3.79145, - "epsilon_k": 252.86412, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "135-01-3", - "name": "1,2-diethylbenzene", - "iupac_name": "1,2-diethylbenzene", - "smiles": "CCc1ccccc1CC", - "inchi": "InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.76372, - "sigma": 3.82328, - "epsilon_k": 284.31432 - } - }, - { - "identifier": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3" - }, - "molarweight": 172.183, - "model_record": { - "m": 5.33243, - "sigma": 3.79741, - "epsilon_k": 263.14708, - "kappa_ab": 0.00233, - "epsilon_k_ab": 2834.87537, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "96-34-4", - "name": "methyl chloroacetate", - "iupac_name": "methyl 2-chloroacetate", - "smiles": "COC(=O)CCl", - "inchi": "InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3" - }, - "molarweight": 107.998, - "model_record": { - "m": 4.02247, - "sigma": 3.0774, - "epsilon_k": 252.89659, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "molarweight": 88.052, - "model_record": { - "m": 3.26636, - "sigma": 3.39012, - "epsilon_k": 241.43453, - "mu": 1.9, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "102-82-9", - "name": "tributylamine", - "iupac_name": "n,n-dibutylbutan-1-amine", - "smiles": "CCCCN(CCCC)CCCC", - "inchi": "InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3" - }, - "molarweight": 185.214, - "model_record": { - "m": 5.20053, - "sigma": 3.9714, - "epsilon_k": 247.64819, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "541-02-6", - "name": "decamethylcyclopentasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3" - }, - "molarweight": 370.094, - "model_record": { - "m": 6.96787, - "sigma": 4.17068, - "epsilon_k": 207.83461, - "mu": 1.35, - "nb": 5.0 - } - }, - { - "identifier": { - "cas": "1462-03-9", - "name": "1-methylcyclopentanol", - "iupac_name": "1-methylcyclopentan-1-ol", - "smiles": "CC1(O)CCCC1", - "inchi": "InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3" - }, - "molarweight": 100.089, - "model_record": { - "m": 4.47637, - "sigma": 3.20867, - "epsilon_k": 234.80544, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3251.41079, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "124-68-5", - "name": "2-amino-2-methyl-1-propanol (amp)", - "iupac_name": "2-amino-2-methylpropan-1-ol", - "smiles": "CC(C)(N)CO", - "inchi": "InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3" - }, - "molarweight": 89.084, - "model_record": { - "m": 3.15443, - "sigma": 3.52393, - "epsilon_k": 255.14007, - "kappa_ab": 0.02336, - "epsilon_k_ab": 1782.26459, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "62108-41-2", - "name": "2-methoxy-2,4,4-trimethylpentane", - "iupac_name": "2-methoxy-2,4,4-trimethylpentane", - "smiles": "COC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C9H20O/c1-8(2,3)7-9(4,5)10-6/h7H2,1-6H3" - }, - "molarweight": 144.151, - "model_record": { - "m": 4.44174, - "sigma": 3.76602, - "epsilon_k": 233.62925, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "593-74-8", - "name": "dimethylmercury", - "iupac_name": "dimethylmercury", - "smiles": "[CH3].[CH3].[Hg]", - "inchi": "InChI=1S/2CH3.Hg/h2*1H3;" - }, - "molarweight": 232.018, - "model_record": { - "m": 1.90774, - "sigma": 3.78655, - "epsilon_k": 353.19312, - "mu": 0.65 - } - }, - { - "identifier": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "molarweight": 90.068, - "model_record": { - "m": 4.36714, - "sigma": 3.08777, - "epsilon_k": 234.20027, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "102-36-3", - "name": "3,4-dichlorophenylisocyanate", - "iupac_name": "1,2-dichloro-4-isocyanatobenzene", - "smiles": "O=C=Nc1ccc(Cl)c(Cl)c1", - "inchi": "InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H" - }, - "molarweight": 186.959, - "model_record": { - "m": 2.12599, - "sigma": 4.5, - "epsilon_k": 453.87334, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "molarweight": 84.094, - "model_record": { - "m": 2.50027, - "sigma": 3.85128, - "epsilon_k": 280.36899 - } - }, - { - "identifier": { - "cas": "90-00-6", - "name": "2-ethylphenol", - "iupac_name": "2-ethylphenol", - "smiles": "CCc1ccccc1O", - "inchi": "InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3" - }, - "molarweight": 122.073, - "model_record": { - "m": 4.19724, - "sigma": 3.44623, - "epsilon_k": 286.62724, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3377.96343, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "556-69-4", - "name": "octadecamethyloctasiloxane", - "iupac_name": "[dimethyl(trimethylsilyloxy)silyl]oxy-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C18H54O7Si8/c1-26(2,3)19-28(7,8)21-30(11,12)23-32(15,16)25-33(17,18)24-31(13,14)22-29(9,10)20-27(4,5)6/h1-18H3" - }, - "molarweight": 606.202, - "model_record": { - "m": 12.24174, - "sigma": 4.16199, - "epsilon_k": 196.32126, - "nb": 7.0 - } - }, - { - "identifier": { - "cas": "93-55-0", - "name": "ethyl phenyl ketone", - "iupac_name": "1-phenylpropan-1-one", - "smiles": "CCC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "molarweight": 134.073, - "model_record": { - "m": 4.95574, - "sigma": 3.33848, - "epsilon_k": 269.19831, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "597-49-9", - "name": "3-ethyl-3-pentanol", - "iupac_name": "3-ethylpentan-3-ol", - "smiles": "CCC(O)(CC)CC", - "inchi": "InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3" - }, - "molarweight": 116.12, - "model_record": { - "m": 5.01289, - "sigma": 3.33716, - "epsilon_k": 223.02925, - "kappa_ab": 0.0004, - "epsilon_k_ab": 2448.88819, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "3321-50-4", - "name": "1,2-dicyclohexylethane", - "iupac_name": "2-cyclohexylethylcyclohexane", - "smiles": "C1CCC(CCC2CCCCC2)CC1", - "inchi": "InChI=1S/C14H26/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h13-14H,1-12H2" - }, - "molarweight": 194.203, - "model_record": { - "m": 4.77855, - "sigma": 4.03219, - "epsilon_k": 294.0877 - } - }, - { - "identifier": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "molarweight": 144.115, - "model_record": { - "m": 4.9882, - "sigma": 3.54206, - "epsilon_k": 237.57314, - "mu": 1.86, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "4516-69-2", - "name": "1,1,3-trimethylcyclopentane", - "iupac_name": "1,1,3-trimethylcyclopentane", - "smiles": "CC1CCC(C)(C)C1", - "inchi": "InChI=1S/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.13282, - "sigma": 3.97581, - "epsilon_k": 256.31603 - } - }, - { - "identifier": { - "cas": "76-12-0", - "name": "1,1,2,2-tetrachloro-1,2-difluoroethane [r112]", - "iupac_name": "1,1,2,2-tetrachloro-1,2-difluoroethane", - "smiles": "FC(Cl)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8" - }, - "molarweight": 201.872, - "model_record": { - "m": 3.21681, - "sigma": 3.66966, - "epsilon_k": 248.97891 - } - }, - { - "identifier": { - "cas": "114000-79-2", - "name": "2,4,6-trimethyloctadecane", - "smiles": "CCCCCCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C21H44/c1-6-7-8-9-10-11-12-13-14-15-16-20(4)18-21(5)17-19(2)3/h19-21H,6-18H2,1-5H3" - }, - "molarweight": 296.344, - "model_record": { - "m": 10.75817, - "sigma": 3.61766, - "epsilon_k": 220.53992 - } - }, - { - "identifier": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 114.104, - "model_record": { - "m": 3.94757, - "sigma": 3.62582, - "epsilon_k": 251.77395, - "mu": 2.5, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "535-77-3", - "name": "3-isopropyltoluene", - "iupac_name": "1-methyl-3-propan-2-ylbenzene", - "smiles": "Cc1cccc(C(C)C)c1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.57105, - "sigma": 3.91576, - "epsilon_k": 286.2197 - } - }, - { - "identifier": { - "cas": "589-53-7", - "name": "4-methylheptane", - "iupac_name": "4-methylheptane", - "smiles": "CCCC(C)CCC", - "inchi": "InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.62643, - "sigma": 3.88212, - "epsilon_k": 244.25758 - } - }, - { - "identifier": { - "cas": "552-30-7", - "name": "1,2,4-benzenetricarboxylic anhydride", - "iupac_name": "1,3-dioxo-2-benzofuran-5-carboxylic acid", - "smiles": "O=C(O)c1ccc2c(c1)C(=O)OC2=O", - "inchi": "InChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)" - }, - "molarweight": 192.006, - "model_record": { - "m": 2.16266, - "sigma": 4.5, - "epsilon_k": 379.38625, - "kappa_ab": 0.00328, - "epsilon_k_ab": 5000.0, - "na": 1.0, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "7784-34-1", - "name": "arsenic trichloride", - "iupac_name": "trichloroarsane", - "smiles": "Cl[As](Cl)Cl", - "inchi": "InChI=1S/AsCl3/c2-1(3)4" - }, - "molarweight": 179.828, - "model_record": { - "m": 2.91417, - "sigma": 3.40134, - "epsilon_k": 301.02485, - "mu": 1.6 - } - }, - { - "identifier": { - "cas": "25117-37-7", - "name": "5-methylheneicosane", - "iupac_name": "5-methylhenicosane", - "smiles": "CCCCCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C22H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-22(3)20-7-5-2/h22H,4-21H2,1-3H3" - }, - "molarweight": 310.36, - "model_record": { - "m": 8.82608, - "sigma": 3.9618, - "epsilon_k": 253.10523 - } - }, - { - "identifier": { - "cas": "562-49-2", - "name": "3,3-dimethylpentane", - "iupac_name": "3,3-dimethylpentane", - "smiles": "CCC(C)(C)CC", - "inchi": "InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3" - }, - "molarweight": 100.125, - "model_record": { - "m": 2.83955, - "sigma": 4.04878, - "epsilon_k": 257.23007 - } - }, - { - "identifier": { - "cas": "25117-32-2", - "name": "5-methyltetradecane", - "iupac_name": "5-methyltetradecane", - "smiles": "CCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C15H32/c1-4-6-8-9-10-11-12-14-15(3)13-7-5-2/h15H,4-14H2,1-3H3" - }, - "molarweight": 212.25, - "model_record": { - "m": 5.84363, - "sigma": 4.02882, - "epsilon_k": 258.55325 - } - }, - { - "identifier": { - "cas": "539-82-2", - "name": "ethyl valerate", - "iupac_name": "ethyl pentanoate", - "smiles": "CCCCC(=O)OCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.45471, - "sigma": 3.54323, - "epsilon_k": 238.21995, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "355-17-9", - "name": "1,1,1,2,2,3,3-heptafluoropentan-4-one", - "iupac_name": "3,3,4,4,5,5,5-heptafluoropentan-2-one", - "smiles": "CC(=O)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5H3F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h1H3" - }, - "molarweight": 212.007, - "model_record": { - "m": 4.49078, - "sigma": 3.41006, - "epsilon_k": 189.55245, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1759-53-1", - "name": "cyclopropanecarboxylic acid", - "iupac_name": "cyclopropanecarboxylic acid", - "smiles": "O=C(O)C1CC1", - "inchi": "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" - }, - "molarweight": 86.037, - "model_record": { - "m": 5.2811, - "sigma": 2.74919, - "epsilon_k": 251.09198, - "kappa_ab": 0.00172, - "epsilon_k_ab": 2132.13444, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "molarweight": 141.928, - "model_record": { - "m": 1.8307, - "sigma": 3.55359, - "epsilon_k": 307.85266, - "mu": 1.62 - } - }, - { - "identifier": { - "cas": "14850-22-7", - "name": "cis-3-octene", - "iupac_name": "(z)-oct-3-ene", - "smiles": "CC/C=C\\CCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5-" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.25207, - "sigma": 3.99479, - "epsilon_k": 263.47258 - } - }, - { - "identifier": { - "cas": "488-23-3", - "name": "1,2,3,4-tetramethylbenzene", - "iupac_name": "1,2,3,4-tetramethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1C", - "inchi": "InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.67876, - "sigma": 3.83744, - "epsilon_k": 302.84898 - } - }, - { - "identifier": { - "cas": "3875-51-2", - "name": "isopropylcyclopentane", - "iupac_name": "propan-2-ylcyclopentane", - "smiles": "CC(C)C1CCCC1", - "inchi": "InChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.92875, - "sigma": 4.04986, - "epsilon_k": 283.74552 - } - }, - { - "identifier": { - "cas": "18720-66-6", - "name": "6-methyl-3-heptanol", - "iupac_name": "6-methylheptan-3-ol", - "smiles": "CCC(O)CCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-4-8(9)6-5-7(2)3/h7-9H,4-6H2,1-3H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 2.51349, - "sigma": 4.5, - "epsilon_k": 334.2126, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2713.91691, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.44898, - "sigma": 3.70437, - "epsilon_k": 223.19069, - "mu": 1.22, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "92-51-3", - "name": "bicyclohexyl", - "iupac_name": "cyclohexylcyclohexane", - "smiles": "C1CCC(C2CCCCC2)CC1", - "inchi": "InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2" - }, - "molarweight": 166.172, - "model_record": { - "m": 3.77434, - "sigma": 4.13231, - "epsilon_k": 313.68814 - } - }, - { - "identifier": { - "cas": "61868-08-4", - "name": "2,4-dimethylhexadecane", - "smiles": "CCCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C18H38/c1-5-6-7-8-9-10-11-12-13-14-15-18(4)16-17(2)3/h17-18H,5-16H2,1-4H3" - }, - "molarweight": 254.297, - "model_record": { - "m": 9.85593, - "sigma": 3.5461, - "epsilon_k": 217.7381 - } - }, - { - "identifier": { - "cas": "112-15-2", - "name": "diethylene glycol monoethyl ether acetate", - "iupac_name": "2-(2-ethoxyethoxy)ethyl acetate", - "smiles": "CCOCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3" - }, - "molarweight": 176.105, - "model_record": { - "m": 5.07778, - "sigma": 3.61687, - "epsilon_k": 259.75485, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "55000-53-8", - "name": "1,4-dimethyl-5-octylnaphthalene", - "iupac_name": "1,4-dimethyl-5-octylnaphthalene", - "smiles": "CCCCCCCCc1cccc2c(C)ccc(C)c12", - "inchi": "InChI=1S/C20H28/c1-4-5-6-7-8-9-11-18-12-10-13-19-16(2)14-15-17(3)20(18)19/h10,12-15H,4-9,11H2,1-3H3" - }, - "molarweight": 268.219, - "model_record": { - "m": 6.74693, - "sigma": 3.93047, - "epsilon_k": 300.50964 - } - }, - { - "identifier": { - "cas": "638-02-8", - "name": "2,5-dimethyl thiophene", - "iupac_name": "2,5-dimethylthiophene", - "smiles": "Cc1ccc(C)s1", - "inchi": "InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "molarweight": 112.035, - "model_record": { - "m": 3.0963, - "sigma": 3.68992, - "epsilon_k": 289.08392, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "678-18-2", - "name": "1,1,1,2,2,3,3,4,4-nonafluorohexan-5-one", - "iupac_name": "3,3,4,4,5,5,6,6,6-nonafluorohexan-2-one", - "smiles": "CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6H3F9O/c1-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3" - }, - "molarweight": 262.004, - "model_record": { - "m": 4.65057, - "sigma": 3.57439, - "epsilon_k": 196.04455, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "molarweight": 102.068, - "model_record": { - "m": 1.83264, - "sigma": 4.30863, - "epsilon_k": 425.29843, - "kappa_ab": 0.00034, - "epsilon_k_ab": 2622.56993, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1708-29-8", - "name": "2,5-dihydrofuran", - "iupac_name": "2,5-dihydrofuran", - "smiles": "C1=CCOC1", - "inchi": "InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2" - }, - "molarweight": 70.042, - "model_record": { - "m": 2.86634, - "sigma": 3.23145, - "epsilon_k": 254.1119, - "mu": 1.54, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6004-38-2", - "name": "tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "tricyclo[5.2.1.02,6]decane", - "smiles": "C1CC2C3CCC(C3)C2C1", - "inchi": "InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.72024, - "sigma": 3.78104, - "epsilon_k": 287.94753 - } - }, - { - "identifier": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "molarweight": 85.053, - "model_record": { - "m": 3.84421, - "sigma": 3.07804, - "epsilon_k": 310.44804, - "kappa_ab": 0.9, - "epsilon_k_ab": 1037.8027, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "molarweight": 116.12, - "model_record": { - "m": 3.45444, - "sigma": 3.85157, - "epsilon_k": 240.98121, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "605-02-7", - "name": "1-phenylnaphthalene", - "iupac_name": "1-phenylnaphthalene", - "smiles": "c1ccc(-c2cccc3ccccc23)cc1", - "inchi": "InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H" - }, - "molarweight": 204.094, - "model_record": { - "m": 4.67811, - "sigma": 3.87973, - "epsilon_k": 341.50457 - } - }, - { - "identifier": { - "cas": "53716-82-8", - "name": "(1s,5r)-6,8-dioxabicyclo(3.2.1)octan-4-one", - "iupac_name": "(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one", - "smiles": "O=C1CC[C@H]2CO[C@@H]1O2", - "inchi": "InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1" - }, - "molarweight": 128.047, - "model_record": { - "m": 3.66204, - "sigma": 3.42079, - "epsilon_k": 329.22522, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "1560-96-9", - "name": "2-methyltridecane", - "iupac_name": "2-methyltridecane", - "smiles": "CCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C14H30/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h14H,4-13H2,1-3H3" - }, - "molarweight": 198.235, - "model_record": { - "m": 5.74411, - "sigma": 3.97091, - "epsilon_k": 254.45835 - } - }, - { - "identifier": { - "cas": "25117-35-5", - "name": "5-methyloctadecane", - "iupac_name": "5-methyloctadecane", - "smiles": "CCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C19H40/c1-4-6-8-9-10-11-12-13-14-15-16-18-19(3)17-7-5-2/h19H,4-18H2,1-3H3" - }, - "molarweight": 268.313, - "model_record": { - "m": 6.36898, - "sigma": 4.23289, - "epsilon_k": 274.12516 - } - }, - { - "identifier": { - "cas": "100-49-2", - "name": "cyclohexylmethanol", - "iupac_name": "cyclohexylmethanol", - "smiles": "OCC1CCCCC1", - "inchi": "InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2" - }, - "molarweight": 114.104, - "model_record": { - "m": 1.99225, - "sigma": 4.5, - "epsilon_k": 360.64164, - "kappa_ab": 0.0019, - "epsilon_k_ab": 3230.87905, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "molarweight": 199.852, - "model_record": { - "m": 2.70087, - "sigma": 3.94651, - "epsilon_k": 329.71162, - "mu": 0.92 - } - }, - { - "identifier": { - "cas": "929-06-6", - "name": "diglycolamine (dga)", - "iupac_name": "2-(2-aminoethoxy)ethanol", - "smiles": "NCCOCCO", - "inchi": "InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2" - }, - "molarweight": 105.079, - "model_record": { - "m": 4.85542, - "sigma": 3.0962, - "epsilon_k": 270.97591, - "kappa_ab": 0.03137, - "epsilon_k_ab": 1052.47173, - "na": 2.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "698-87-3", - "name": "1-phenyl-2-propanol", - "iupac_name": "1-phenylpropan-2-ol", - "smiles": "CC(O)Cc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3" - }, - "molarweight": 136.089, - "model_record": { - "m": 4.22894, - "sigma": 3.59632, - "epsilon_k": 290.903, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2957.40741, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "molarweight": 69.058, - "model_record": { - "m": 2.88184, - "sigma": 3.46741, - "epsilon_k": 252.19399, - "mu": 4.07, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "100-46-9", - "name": "alpha-aminotoluene", - "iupac_name": "phenylmethanamine", - "smiles": "NCc1ccccc1", - "inchi": "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2" - }, - "molarweight": 107.073, - "model_record": { - "m": 1.79989, - "sigma": 4.5, - "epsilon_k": 418.10833, - "kappa_ab": 0.00625, - "epsilon_k_ab": 2088.27465, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1116-76-3", - "name": "trioctylamine", - "iupac_name": "n,n-dioctyloctan-1-amine", - "smiles": "CCCCCCCCN(CCCCCCCC)CCCCCCCC", - "inchi": "InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3" - }, - "molarweight": 353.402, - "model_record": { - "m": 9.70525, - "sigma": 3.98243, - "epsilon_k": 247.57669, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2016-42-4", - "name": "tetradecylamine", - "iupac_name": "tetradecan-1-amine", - "smiles": "CCCCCCCCCCCCCCN", - "inchi": "InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3" - }, - "molarweight": 213.246, - "model_record": { - "m": 6.21996, - "sigma": 3.91016, - "epsilon_k": 266.61283, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3188.34288, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-44-5", - "name": "phosgene", - "iupac_name": "carbonyl dichloride", - "smiles": "O=C(Cl)Cl", - "inchi": "InChI=1S/CCl2O/c2-1(3)4" - }, - "molarweight": 97.933, - "model_record": { - "m": 2.34255, - "sigma": 3.33572, - "epsilon_k": 235.74718, - "mu": 1.17, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "616-12-6", - "name": "trans-3-methyl-2-pentene", - "iupac_name": "(e)-3-methylpent-2-ene", - "smiles": "C/C=C(\\C)CC", - "inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+" - }, - "molarweight": 84.094, - "model_record": { - "m": 3.14153, - "sigma": 3.65787, - "epsilon_k": 235.53289 - } - }, - { - "identifier": { - "cas": "628-92-2", - "name": "cycloheptene", - "iupac_name": "cycloheptene", - "smiles": "C1=CCCCCC1", - "inchi": "InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2" - }, - "molarweight": 96.094, - "model_record": { - "m": 2.67566, - "sigma": 3.88601, - "epsilon_k": 295.17757 - } - }, - { - "identifier": { - "cas": "2207-01-4", - "name": "cis-1,2-dimethylcyclohexane", - "iupac_name": "(1s,2r)-1,2-dimethylcyclohexane", - "smiles": "C[C@@H]1CCCC[C@@H]1C", - "inchi": "InChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.70932, - "sigma": 4.12773, - "epsilon_k": 299.99157 - } - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "molarweight": 86.11, - "model_record": { - "m": 2.65457, - "sigma": 3.9786, - "epsilon_k": 240.54294 - } - }, - { - "identifier": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "molarweight": 76.052, - "model_record": { - "m": 3.96671, - "sigma": 2.98708, - "epsilon_k": 241.41087, - "kappa_ab": 0.103, - "epsilon_k_ab": 1467.04116, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1076-43-3", - "name": "perdeuterobenzene", - "iupac_name": "1,2,3,4,5,6-hexadeuteriobenzene", - "smiles": "[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D" - }, - "molarweight": 78.047, - "model_record": { - "m": 2.44213, - "sigma": 3.55753, - "epsilon_k": 290.5826 - } - }, - { - "identifier": { - "cas": "7364-19-4", - "name": "p-tert-butyl ethylbenzene", - "iupac_name": "1-tert-butyl-4-ethylbenzene", - "smiles": "CCc1ccc(C(C)(C)C)cc1", - "inchi": "InChI=1S/C12H18/c1-5-10-6-8-11(9-7-10)12(2,3)4/h6-9H,5H2,1-4H3" - }, - "molarweight": 162.141, - "model_record": { - "m": 4.04781, - "sigma": 4.01048, - "epsilon_k": 286.77295 - } - }, - { - "identifier": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "molarweight": 118.055, - "model_record": { - "m": 2.74132, - "sigma": 3.91077, - "epsilon_k": 309.79483, - "mu": 2.24 - } - }, - { - "identifier": { - "cas": "106-73-0", - "name": "methyl heptanoate", - "iupac_name": "methyl heptanoate", - "smiles": "CCCCCCC(=O)OC", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3" - }, - "molarweight": 144.115, - "model_record": { - "m": 4.91979, - "sigma": 3.54784, - "epsilon_k": 239.95355, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "628-96-6", - "name": "1,2-ethanediol dinitrate", - "iupac_name": "2-nitrooxyethyl nitrate", - "smiles": "O=[N+]([O-])OCCO[N+](=O)[O-]", - "inchi": "InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2" - }, - "molarweight": 152.007, - "model_record": { - "m": 5.48695, - "sigma": 2.95302, - "epsilon_k": 250.09099, - "mu": 3.57, - "nb": 6.0 - } - }, - { - "identifier": { - "cas": "629-19-6", - "name": "di-n-propyl disulfide", - "iupac_name": "1-(propyldisulfanyl)propane", - "smiles": "CCCSSCCC", - "inchi": "InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 150.054, - "model_record": { - "m": 3.54984, - "sigma": 3.94756, - "epsilon_k": 300.73476, - "mu": 1.98, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 136.052, - "model_record": { - "m": 3.91645, - "sigma": 3.54898, - "epsilon_k": 292.90915, - "mu": 1.9, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "6117-97-1", - "name": "4-methyldodecane", - "iupac_name": "4-methyldodecane", - "smiles": "CCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3" - }, - "molarweight": 184.219, - "model_record": { - "m": 5.37898, - "sigma": 3.95711, - "epsilon_k": 253.2865 - } - }, - { - "identifier": { - "cas": "353-59-3", - "name": "bromochlorodifluoromethane [r12b1]", - "iupac_name": "bromo-chloro-difluoromethane", - "smiles": "FC(F)(Cl)Br", - "inchi": "InChI=1S/CBrClF2/c2-1(3,4)5" - }, - "molarweight": 163.884, - "model_record": { - "m": 2.20487, - "sigma": 3.63702, - "epsilon_k": 229.87484 - } - }, - { - "identifier": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "molarweight": 74.073, - "model_record": { - "m": 3.42397, - "sigma": 3.31208, - "epsilon_k": 230.31248, - "kappa_ab": 0.00622, - "epsilon_k_ab": 2290.34273, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "112-32-3", - "name": "formic acid octyl ester", - "iupac_name": "octyl formate", - "smiles": "CCCCCCCCOC=O", - "inchi": "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3" - }, - "molarweight": 158.131, - "model_record": { - "m": 5.05811, - "sigma": 3.64662, - "epsilon_k": 249.70825, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1192-18-3", - "name": "cis-1,2-dimethylcyclopentane", - "iupac_name": "(1s,2r)-1,2-dimethylcyclopentane", - "smiles": "C[C@@H]1CCC[C@@H]1C", - "inchi": "InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.835, - "sigma": 3.89896, - "epsilon_k": 271.39519 - } - }, - { - "identifier": { - "cas": "128-37-0", - "name": "2,6-di-tert.butyl-4-methylphenol", - "iupac_name": "2,6-ditert-butyl-4-methylphenol", - "smiles": "Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", - "inchi": "InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3" - }, - "molarweight": 220.183, - "model_record": { - "m": 3.76611, - "sigma": 4.5, - "epsilon_k": 316.13126, - "kappa_ab": 0.00864, - "epsilon_k_ab": 2360.55561, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "112-31-2", - "name": "n-decanal", - "iupac_name": "decanal", - "smiles": "CCCCCCCCCC=O", - "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3" - }, - "molarweight": 156.151, - "model_record": { - "m": 5.17808, - "sigma": 3.6812, - "epsilon_k": 255.52727, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1789-58-8", - "name": "ethyl-dichloro-silane", - "iupac_name": "dichloro-ethylsilane", - "smiles": "CC[SiH](Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-2-5(3)4/h5H,2H2,1H3" - }, - "molarweight": 127.962, - "model_record": { - "m": 2.58638, - "sigma": 3.89478, - "epsilon_k": 268.41885 - } - }, - { - "identifier": { - "cas": "141-63-9", - "name": "dodecamethylpentasiloxane", - "iupac_name": "bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3" - }, - "molarweight": 384.146, - "model_record": { - "m": 6.73076, - "sigma": 4.4374, - "epsilon_k": 218.08777, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "molarweight": 103.964, - "model_record": { - "m": 2.17546, - "sigma": 3.3847, - "epsilon_k": 163.02242 - } - }, - { - "identifier": { - "cas": "1120-48-5", - "name": "dioctylamine", - "iupac_name": "n-octyloctan-1-amine", - "smiles": "CCCCCCCCNCCCCCCCC", - "inchi": "InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3" - }, - "molarweight": 241.277, - "model_record": { - "m": 5.59389, - "sigma": 4.25288, - "epsilon_k": 254.23474, - "kappa_ab": 0.2617, - "epsilon_k_ab": 2062.82318, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2459-09-8", - "name": "4-pyridinecarboxylic acid, methyl ester", - "iupac_name": "methyl pyridine-4-carboxylate", - "smiles": "COC(=O)c1ccncc1", - "inchi": "InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3" - }, - "molarweight": 137.048, - "model_record": { - "m": 4.16233, - "sigma": 3.41234, - "epsilon_k": 293.20627, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "505-22-6", - "name": "1,3-dioxane", - "iupac_name": "1,3-dioxane", - "smiles": "C1COCOC1", - "inchi": "InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2" - }, - "molarweight": 88.052, - "model_record": { - "m": 2.54632, - "sigma": 3.57448, - "epsilon_k": 299.98979, - "mu": 2.06, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "594-70-7", - "name": "2-methyl-2-nitropropane", - "iupac_name": "2-methyl-2-nitropropane", - "smiles": "CC(C)(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3" - }, - "molarweight": 103.063, - "model_record": { - "m": 2.77987, - "sigma": 3.75583, - "epsilon_k": 278.53109, - "mu": 3.71, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "623-37-0", - "name": "3-hexanol", - "iupac_name": "hexan-3-ol", - "smiles": "CCCC(O)CC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.15455, - "sigma": 3.81224, - "epsilon_k": 262.53841, - "kappa_ab": 0.00241, - "epsilon_k_ab": 2651.25773, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "628-73-9", - "name": "hexanenitrile", - "iupac_name": "hexanenitrile", - "smiles": "CCCCCC#N", - "inchi": "InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3" - }, - "molarweight": 97.089, - "model_record": { - "m": 3.19805, - "sigma": 3.74427, - "epsilon_k": 291.06524, - "mu": 3.5, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "91-10-1", - "name": "2,6-dimethoxyphenol", - "iupac_name": "2,6-dimethoxyphenol", - "smiles": "COc1cccc(OC)c1O", - "inchi": "InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3" - }, - "molarweight": 154.063, - "model_record": { - "m": 2.2492, - "sigma": 4.44988, - "epsilon_k": 399.51861, - "kappa_ab": 0.00055, - "epsilon_k_ab": 3481.43628, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "110-27-0", - "name": "tetradecanoic acid isopropyl ester", - "iupac_name": "propan-2-yl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC(C)C", - "inchi": "InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3" - }, - "molarweight": 270.256, - "model_record": { - "m": 6.38087, - "sigma": 4.13185, - "epsilon_k": 275.85202, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "767-58-8", - "name": "1-methylindan", - "iupac_name": "1-methyl-2,3-dihydro-1h-indene", - "smiles": "CC1CCc2ccccc21", - "inchi": "InChI=1S/C10H12/c1-8-6-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3" - }, - "molarweight": 132.094, - "model_record": { - "m": 3.02652, - "sigma": 4.02584, - "epsilon_k": 327.72511 - } - }, - { - "identifier": { - "cas": "7133-46-2", - "name": "dicyclohexyl sulfide", - "iupac_name": "cyclohexylsulfanylcyclohexane", - "smiles": "C1CCC(SC2CCCCC2)CC1", - "inchi": "InChI=1S/C12H22S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2" - }, - "molarweight": 198.144, - "model_record": { - "m": 4.22194, - "sigma": 4.11056, - "epsilon_k": 323.15938, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6294-31-1", - "name": "dihexyl sulfide", - "iupac_name": "1-hexylsulfanylhexane", - "smiles": "CCCCCCSCCCCCC", - "inchi": "InChI=1S/C12H26S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 202.176, - "model_record": { - "m": 5.81289, - "sigma": 3.86146, - "epsilon_k": 263.71683, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "25117-30-0", - "name": "4-methyldocosane", - "iupac_name": "4-methyldocosane", - "smiles": "CCCCCCCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C23H48/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-5-2/h23H,4-22H2,1-3H3" - }, - "molarweight": 324.376, - "model_record": { - "m": 9.24895, - "sigma": 3.95643, - "epsilon_k": 252.43422 - } - }, - { - "identifier": { - "cas": "625-60-5", - "name": "ethyl thioacetate", - "iupac_name": "s-ethyl ethanethioate", - "smiles": "CCSC(C)=O", - "inchi": "InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "molarweight": 104.03, - "model_record": { - "m": 2.93082, - "sigma": 3.65805, - "epsilon_k": 283.07672, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "352-32-9", - "name": "4-fluorotoluene", - "iupac_name": "1-fluoro-4-methylbenzene", - "smiles": "Cc1ccc(F)cc1", - "inchi": "InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "molarweight": 110.053, - "model_record": { - "m": 2.9496, - "sigma": 3.6922, - "epsilon_k": 279.87774, - "mu": 2.0 - } - }, - { - "identifier": { - "cas": "90-13-1", - "name": "1-chloronaphthalene", - "iupac_name": "1-chloronaphthalene", - "smiles": "Clc1cccc2ccccc12", - "inchi": "InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "molarweight": 162.024, - "model_record": { - "m": 3.45738, - "sigma": 3.85248, - "epsilon_k": 353.49793, - "mu": 1.33 - } - }, - { - "identifier": { - "cas": "60-34-4", - "name": "methylhydrazine", - "iupac_name": "methylhydrazine", - "smiles": "CNN", - "inchi": "InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3" - }, - "molarweight": 46.053, - "model_record": { - "m": 3.78991, - "sigma": 2.62933, - "epsilon_k": 241.97325, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "7154-79-2", - "name": "2,2,3,3-tetramethylpentane", - "iupac_name": "2,2,3,3-tetramethylpentane", - "smiles": "CCC(C)(C)C(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 3.17527, - "sigma": 4.15862, - "epsilon_k": 276.93581 - } - }, - { - "identifier": { - "cas": "1120-36-1", - "name": "1-tetradecene", - "iupac_name": "tetradec-1-ene", - "smiles": "C=CCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3" - }, - "molarweight": 196.219, - "model_record": { - "m": 5.93901, - "sigma": 3.89298, - "epsilon_k": 252.10922 - } - }, - { - "identifier": { - "cas": "123-29-5", - "name": "nonanoic acid ethyl ester", - "iupac_name": "ethyl nonanoate", - "smiles": "CCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3" - }, - "molarweight": 186.162, - "model_record": { - "m": 5.75006, - "sigma": 3.71489, - "epsilon_k": 246.84461, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "593-60-2", - "name": "vinyl bromide", - "iupac_name": "bromoethene", - "smiles": "C=CBr", - "inchi": "InChI=1S/C2H3Br/c1-2-3/h2H,1H2" - }, - "molarweight": 105.942, - "model_record": { - "m": 1.55373, - "sigma": 3.86848, - "epsilon_k": 307.67039, - "mu": 1.42 - } - }, - { - "identifier": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "molarweight": 155.944, - "model_record": { - "m": 1.94206, - "sigma": 3.82267, - "epsilon_k": 319.63872, - "mu": 1.91 - } - }, - { - "identifier": { - "cas": "62781-99-1", - "name": "cyclopentyl formate", - "iupac_name": "cyclopentyl formate", - "smiles": "O=COC1CCCC1", - "inchi": "InChI=1S/C6H10O2/c7-5-8-6-3-1-2-4-6/h5-6H,1-4H2" - }, - "molarweight": 114.068, - "model_record": { - "m": 3.50078, - "sigma": 3.52972, - "epsilon_k": 272.40023, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "molarweight": 75.032, - "model_record": { - "m": 2.80936, - "sigma": 3.27449, - "epsilon_k": 259.86924, - "mu": 3.65, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1530-05-8", - "name": "1,1-diphenylheptane", - "iupac_name": "1-phenylheptylbenzene", - "smiles": "CCCCCCC(c1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C19H24/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15,19H,2-4,11,16H2,1H3" - }, - "molarweight": 252.188, - "model_record": { - "m": 7.41801, - "sigma": 3.69684, - "epsilon_k": 263.6466 - } - }, - { - "identifier": { - "cas": "6303-88-4", - "name": "2,3,4,9-tetrahydro-9-methyl-1h-carbazole", - "iupac_name": "9-methyl-1,2,3,4-tetrahydrocarbazole", - "smiles": "Cn1c2c(c3ccccc31)CCCC2", - "inchi": "InChI=1S/C13H15N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,6,8H,3,5,7,9H2,1H3" - }, - "molarweight": 185.12, - "model_record": { - "m": 4.46014, - "sigma": 3.8373, - "epsilon_k": 350.86129, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1590-87-0", - "name": "disilane", - "smiles": "[SiH3][SiH3]", - "inchi": "InChI=1S/H6Si2/c1-2/h1-2H3" - }, - "molarweight": 62.001, - "model_record": { - "m": 1.56359, - "sigma": 3.97081, - "epsilon_k": 273.14834 - } - }, - { - "identifier": { - "cas": "2909-38-8", - "name": "3-chlorophenylisocyanate", - "iupac_name": "1-chloro-3-isocyanatobenzene", - "smiles": "O=C=Nc1cccc(Cl)c1", - "inchi": "InChI=1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H" - }, - "molarweight": 152.998, - "model_record": { - "m": 3.43927, - "sigma": 3.67337, - "epsilon_k": 320.61662, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "104-87-0", - "name": "4-methylbenzaldehyde", - "iupac_name": "4-methylbenzaldehyde", - "smiles": "Cc1ccc(C=O)cc1", - "inchi": "InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3" - }, - "molarweight": 120.058, - "model_record": { - "m": 3.44565, - "sigma": 3.66099, - "epsilon_k": 312.90201, - "mu": 3.39, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "molarweight": 128.063, - "model_record": { - "m": 2.99317, - "sigma": 3.91168, - "epsilon_k": 354.54358 - } - }, - { - "identifier": { - "cas": "75-97-8", - "name": "3,3-dimethyl-2-butanone", - "iupac_name": "3,3-dimethylbutan-2-one", - "smiles": "CC(=O)C(C)(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3" - }, - "molarweight": 100.089, - "model_record": { - "m": 2.77804, - "sigma": 3.85444, - "epsilon_k": 275.08923, - "mu": 2.75, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "13465-77-5", - "name": "hexachlorodisilane", - "iupac_name": "trichloro(trichlorosilyl)silane", - "smiles": "Cl[Si](Cl)(Cl)[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl6Si2/c1-7(2,3)8(4,5)6" - }, - "molarweight": 265.767, - "model_record": { - "m": 3.54771, - "sigma": 4.02088, - "epsilon_k": 266.48721 - } - }, - { - "identifier": { - "cas": "26730-12-1", - "name": "4-methyltridecane", - "iupac_name": "4-methyltridecane", - "smiles": "CCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3" - }, - "molarweight": 198.235, - "model_record": { - "m": 5.53, - "sigma": 4.01651, - "epsilon_k": 258.37183 - } - }, - { - "identifier": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "molarweight": 96.021, - "model_record": { - "m": 3.53014, - "sigma": 3.19693, - "epsilon_k": 278.39147, - "mu": 3.36, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "818-38-2", - "name": "diethyl glutarate", - "iupac_name": "diethyl pentanedioate", - "smiles": "CCOC(=O)CCCC(=O)OCC", - "inchi": "InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3" - }, - "molarweight": 188.105, - "model_record": { - "m": 5.94805, - "sigma": 3.49247, - "epsilon_k": 251.72235, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "354-34-7", - "name": "trifluoroacetyl fluoride", - "iupac_name": "2,2,2-trifluoroacetyl fluoride", - "smiles": "O=C(F)C(F)(F)F", - "inchi": "InChI=1S/C2F4O/c3-1(7)2(4,5)6" - }, - "molarweight": 115.989, - "model_record": { - "m": 3.76345, - "sigma": 2.87039, - "epsilon_k": 134.60067, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "3938-95-2", - "name": "2,2-dimethylpropanoic acid ethyl ester", - "iupac_name": "ethyl 2,2-dimethylpropanoate", - "smiles": "CCOC(=O)C(C)(C)C", - "inchi": "InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.02709, - "sigma": 3.66423, - "epsilon_k": 233.1494, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1066-35-9", - "name": "dimethylchloro silane", - "iupac_name": "chloro-dimethylsilane", - "smiles": "C[SiH](C)Cl", - "inchi": "InChI=1S/C2H7ClSi/c1-4(2)3/h4H,1-2H3" - }, - "molarweight": 94.001, - "model_record": { - "m": 2.2686, - "sigma": 3.91545, - "epsilon_k": 254.88857, - "mu": 1.28 - } - }, - { - "identifier": { - "cas": "156-43-4", - "name": "p-phenetidine", - "iupac_name": "4-ethoxyaniline", - "smiles": "CCOc1ccc(N)cc1", - "inchi": "InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3" - }, - "molarweight": 137.084, - "model_record": { - "m": 2.1675, - "sigma": 4.5, - "epsilon_k": 423.60162, - "kappa_ab": 0.00285, - "epsilon_k_ab": 2506.43577, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "molarweight": 99.105, - "model_record": { - "m": 3.52036, - "sigma": 3.43894, - "epsilon_k": 176.40836, - "kappa_ab": 0.9, - "epsilon_k_ab": 1997.12363, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "smiles": "FC(F)=C(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "molarweight": 99.994, - "model_record": { - "m": 2.72021, - "sigma": 3.08073, - "epsilon_k": 148.86756 - } - }, - { - "identifier": { - "cas": "622-40-2", - "name": "4-(2-hxdroxyethyl)morpholine", - "iupac_name": "2-morpholin-4-ylethanol", - "smiles": "OCCN1CCOCC1", - "inchi": "InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2" - }, - "molarweight": 131.095, - "model_record": { - "m": 2.27045, - "sigma": 4.34494, - "epsilon_k": 415.12607, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3059.49288, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "molarweight": 90.032, - "model_record": { - "m": 3.26747, - "sigma": 3.23875, - "epsilon_k": 253.77584, - "mu": 0.9, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "molarweight": 73.089, - "model_record": { - "m": 2.98824, - "sigma": 3.5416, - "epsilon_k": 232.35374, - "kappa_ab": 0.01197, - "epsilon_k_ab": 875.08525, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "molarweight": 85.053, - "model_record": { - "m": 3.19236, - "sigma": 3.41239, - "epsilon_k": 313.12197, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "105-08-8", - "name": "1,4-cyclohexanedimethanol, cis/trans mixture", - "iupac_name": "[4-(hydroxymethyl)cyclohexyl]methanol", - "smiles": "OCC1CCC(CO)CC1", - "inchi": "InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2" - }, - "molarweight": 144.115, - "model_record": { - "m": 3.33179, - "sigma": 3.98245, - "epsilon_k": 330.70168, - "kappa_ab": 0.01898, - "epsilon_k_ab": 2133.57131, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 112.008, - "model_record": { - "m": 2.65893, - "sigma": 3.74859, - "epsilon_k": 312.77973, - "mu": 1.69 - } - }, - { - "identifier": { - "cas": "2652-13-3", - "name": "icosamethylnonasiloxane", - "iupac_name": "bis[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy]-dimethylsilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C20H60O8Si9/c1-29(2,3)21-31(7,8)23-33(11,12)25-35(15,16)27-37(19,20)28-36(17,18)26-34(13,14)24-32(9,10)22-30(4,5)6/h1-20H3" - }, - "molarweight": 680.221, - "model_record": { - "m": 15.94476, - "sigma": 3.9243, - "epsilon_k": 182.30841, - "nb": 8.0 - } - }, - { - "identifier": { - "cas": "352-70-5", - "name": "3-fluorotoluene", - "iupac_name": "1-fluoro-3-methylbenzene", - "smiles": "Cc1cccc(F)c1", - "inchi": "InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3" - }, - "molarweight": 110.053, - "model_record": { - "m": 2.93306, - "sigma": 3.69794, - "epsilon_k": 280.66481, - "mu": 1.86 - } - }, - { - "identifier": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "molarweight": 108.058, - "model_record": { - "m": 1.7318, - "sigma": 4.5, - "epsilon_k": 433.09088, - "kappa_ab": 0.00222, - "epsilon_k_ab": 3018.90586, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "335-44-4", - "name": "2,2,3-trichloroheptafluorobutane", - "iupac_name": "2,2,3-trichloro-1,1,1,3,4,4,4-heptafluorobutane", - "smiles": "FC(F)(F)C(F)(Cl)C(Cl)(Cl)C(F)(F)F", - "inchi": "InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "molarweight": 285.895, - "model_record": { - "m": 3.76296, - "sigma": 3.81802, - "epsilon_k": 226.01016 - } - }, - { - "identifier": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "molarweight": 90.068, - "model_record": { - "m": 1.79257, - "sigma": 4.35475, - "epsilon_k": 397.68764, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2190.20514, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "589-35-5", - "name": "3-methyl-1-pentanol", - "iupac_name": "3-methylpentan-1-ol", - "smiles": "CCC(C)CCO", - "inchi": "InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 2.53817, - "sigma": 4.13056, - "epsilon_k": 309.18717, - "kappa_ab": 0.00113, - "epsilon_k_ab": 2982.945, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "molarweight": 88.052, - "model_record": { - "m": 3.60057, - "sigma": 3.27103, - "epsilon_k": 227.01764, - "mu": 1.78, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1560-86-7", - "name": "2-methylnonadecane", - "iupac_name": "2-methylnonadecane", - "smiles": "CCCCCCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C20H42/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3/h20H,4-19H2,1-3H3" - }, - "molarweight": 282.329, - "model_record": { - "m": 9.10968, - "sigma": 3.79612, - "epsilon_k": 241.15787 - } - }, - { - "identifier": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "molarweight": 83.953, - "model_record": { - "m": 2.47659, - "sigma": 3.20164, - "epsilon_k": 255.82129, - "mu": 1.6 - } - }, - { - "identifier": { - "cas": "10544-72-6", - "name": "dinitrogen tetroxide", - "smiles": "O=[N+]([O-])[N+](=O)[O-]", - "inchi": "InChI=1S/N2O4/c3-1(4)2(5)6" - }, - "molarweight": 91.986, - "model_record": { - "m": 7.5424, - "sigma": 2.08934, - "epsilon_k": 138.43415, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "1638-26-2", - "name": "1,1-dimethylcyclopentane", - "iupac_name": "1,1-dimethylcyclopentane", - "smiles": "CC1(C)CCCC1", - "inchi": "InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.86006, - "sigma": 3.90156, - "epsilon_k": 260.39951 - } - }, - { - "identifier": { - "cas": "592-50-7", - "name": "1-fluoropentane", - "iupac_name": "1-fluoropentane", - "smiles": "CCCCCF", - "inchi": "InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "molarweight": 90.084, - "model_record": { - "m": 3.23094, - "sigma": 3.54826, - "epsilon_k": 229.49754 - } - }, - { - "identifier": { - "cas": "91-62-3", - "name": "6-methylquinoline", - "iupac_name": "6-methylquinoline", - "smiles": "Cc1ccc2ncccc2c1", - "inchi": "InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3" - }, - "molarweight": 143.073, - "model_record": { - "m": 3.87924, - "sigma": 3.68119, - "epsilon_k": 332.92203, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "molarweight": 70.078, - "model_record": { - "m": 2.62219, - "sigma": 3.69452, - "epsilon_k": 238.72745 - } - }, - { - "identifier": { - "cas": "112-70-9", - "name": "n-tridecanol", - "iupac_name": "tridecan-1-ol", - "smiles": "CCCCCCCCCCCCCO", - "inchi": "InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3" - }, - "molarweight": 200.214, - "model_record": { - "m": 5.72325, - "sigma": 3.95845, - "epsilon_k": 268.69115, - "kappa_ab": 0.00192, - "epsilon_k_ab": 2999.62581, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "78-96-6", - "name": "isopropanolamine", - "iupac_name": "1-aminopropan-2-ol", - "smiles": "CC(O)CN", - "inchi": "InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3" - }, - "molarweight": 75.068, - "model_record": { - "m": 1.35246, - "sigma": 4.5, - "epsilon_k": 389.00281, - "kappa_ab": 0.00551, - "epsilon_k_ab": 2032.33118, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-94-5", - "name": "trichlorovinylsilane", - "iupac_name": "trichloro(ethenyl)silane", - "smiles": "C=C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3Si/c1-2-6(3,4)5/h2H,1H2" - }, - "molarweight": 159.907, - "model_record": { - "m": 2.67195, - "sigma": 3.97091, - "epsilon_k": 271.64431, - "mu": 2.04 - } - }, - { - "identifier": { - "cas": "7719-09-7", - "name": "thionyl chloride", - "iupac_name": "thionyl dichloride", - "smiles": "O=S(Cl)Cl", - "inchi": "InChI=1S/Cl2OS/c1-4(2)3" - }, - "molarweight": 117.905, - "model_record": { - "m": 1.94465, - "sigma": 3.68776, - "epsilon_k": 330.24619, - "mu": 1.45, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "61868-10-8", - "name": "2,4-dimethyloctadecane", - "smiles": "CCCCCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C20H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(4)18-19(2)3/h19-20H,5-18H2,1-4H3" - }, - "molarweight": 282.329, - "model_record": { - "m": 11.88222, - "sigma": 3.43628, - "epsilon_k": 210.48195 - } - }, - { - "identifier": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "molarweight": 150.068, - "model_record": { - "m": 4.24995, - "sigma": 3.61026, - "epsilon_k": 286.36288, - "mu": 1.9, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "108-98-5", - "name": "benzenethiol", - "iupac_name": "benzenethiol", - "smiles": "Sc1ccccc1", - "inchi": "InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "molarweight": 110.019, - "model_record": { - "m": 2.48712, - "sigma": 3.90272, - "epsilon_k": 347.6038, - "kappa_ab": 0.02456, - "epsilon_k_ab": 1214.9047, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "molarweight": 114.009, - "model_record": { - "m": 3.20055, - "sigma": 3.20351, - "epsilon_k": 174.59547 - } - }, - { - "identifier": { - "cas": "103-69-5", - "name": "n-ethylaniline", - "iupac_name": "n-ethylaniline", - "smiles": "CCNc1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3" - }, - "molarweight": 121.089, - "model_record": { - "m": 4.02668, - "sigma": 3.53371, - "epsilon_k": 292.38472, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2703.6272, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "502-41-0", - "name": "cycloheptanol", - "iupac_name": "cycloheptanol", - "smiles": "OC1CCCCCC1", - "inchi": "InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2" - }, - "molarweight": 114.104, - "model_record": { - "m": 6.45328, - "sigma": 2.91623, - "epsilon_k": 224.25293, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2450.38688, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "molarweight": 89.048, - "model_record": { - "m": 2.8167, - "sigma": 3.52614, - "epsilon_k": 268.14211, - "mu": 3.73, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "4292-92-6", - "name": "n-pentylcyclohexane", - "iupac_name": "pentylcyclohexane", - "smiles": "CCCCCC1CCCCC1", - "inchi": "InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3" - }, - "molarweight": 154.172, - "model_record": { - "m": 4.06101, - "sigma": 4.02502, - "epsilon_k": 280.19763 - } - }, - { - "identifier": { - "cas": "1453-24-3", - "name": "1-ethylcyclohexene", - "iupac_name": "1-ethylcyclohexene", - "smiles": "CCC1=CCCCC1", - "inchi": "InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3" - }, - "molarweight": 110.11, - "model_record": { - "m": 3.47909, - "sigma": 3.72671, - "epsilon_k": 267.1758 - } - }, - { - "identifier": { - "cas": "624-29-3", - "name": "cis-1,4-dimethyl cyclohexane", - "iupac_name": "1,4-dimethylcyclohexane", - "smiles": "C[C@H]1CC[C@@H](C)CC1", - "inchi": "InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8+" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.75019, - "sigma": 4.15108, - "epsilon_k": 292.22771 - } - }, - { - "identifier": { - "cas": "599-64-4", - "name": "p-cumylphenol", - "iupac_name": "4-(2-phenylpropan-2-yl)phenol", - "smiles": "CC(C)(c1ccccc1)c1ccc(O)cc1", - "inchi": "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3" - }, - "molarweight": 212.12, - "model_record": { - "m": 3.29875, - "sigma": 4.5, - "epsilon_k": 361.97711, - "kappa_ab": 0.02678, - "epsilon_k_ab": 3004.10076, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "molarweight": 115.96, - "model_record": { - "m": 2.45672, - "sigma": 3.62357, - "epsilon_k": 239.60133, - "mu": 2.014 - } - }, - { - "identifier": { - "cas": "7783-07-5", - "name": "selenium hydride", - "iupac_name": "selane", - "smiles": "[SeH2]", - "inchi": "InChI=1S/H2Se/h1H2" - }, - "molarweight": 81.932, - "model_record": { - "m": 1.56213, - "sigma": 3.24268, - "epsilon_k": 258.38669 - } - }, - { - "identifier": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "molarweight": 70.003, - "model_record": { - "m": 2.56037, - "sigma": 2.85953, - "epsilon_k": 141.05474, - "mu": 1.65 - } - }, - { - "identifier": { - "cas": "123-62-6", - "name": "propionic anhydride", - "iupac_name": "propanoyl propanoate", - "smiles": "CCC(=O)OC(=O)CC", - "inchi": "InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3" - }, - "molarweight": 130.063, - "model_record": { - "m": 4.45131, - "sigma": 3.39969, - "epsilon_k": 250.35148, - "mu": 3.3, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "108-64-5", - "name": "ethyl isovalerate", - "iupac_name": "ethyl 3-methylbutanoate", - "smiles": "CCOC(=O)CC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.38421, - "sigma": 3.56216, - "epsilon_k": 232.56613, - "mu": 1.97, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "98-06-6", - "name": "tert-butylbenzene", - "iupac_name": "tert-butylbenzene", - "smiles": "CC(C)(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.54993, - "sigma": 3.91102, - "epsilon_k": 282.96496 - } - }, - { - "identifier": { - "cas": "624-48-6", - "name": "dimethylmaleate", - "iupac_name": "dimethyl (z)-but-2-enedioate", - "smiles": "COC(=O)/C=C\\C(=O)OC", - "inchi": "InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-" - }, - "molarweight": 144.042, - "model_record": { - "m": 5.26744, - "sigma": 3.19369, - "epsilon_k": 254.5675, - "mu": 2.48, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "78-82-0", - "name": "isobutyronitrile", - "iupac_name": "2-methylpropanenitrile", - "smiles": "CC(C)C#N", - "inchi": "InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3" - }, - "molarweight": 69.058, - "model_record": { - "m": 2.86622, - "sigma": 3.4857, - "epsilon_k": 233.12537, - "mu": 4.29, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "930-28-9", - "name": "chloro cyclopentane", - "iupac_name": "chlorocyclopentane", - "smiles": "ClC1CCCC1", - "inchi": "InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2" - }, - "molarweight": 104.039, - "model_record": { - "m": 2.88777, - "sigma": 3.63855, - "epsilon_k": 284.97726 - } - }, - { - "identifier": { - "cas": "506-30-9", - "name": "arachidic acid", - "iupac_name": "icosanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)" - }, - "molarweight": 312.303, - "model_record": { - "m": 8.73436, - "sigma": 3.89804, - "epsilon_k": 266.93786, - "kappa_ab": 0.00463, - "epsilon_k_ab": 3405.5317, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 142.172, - "model_record": { - "m": 4.6267, - "sigma": 3.84109, - "epsilon_k": 244.92287 - } - }, - { - "identifier": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "molarweight": 68.063, - "model_record": { - "m": 2.29725, - "sigma": 3.66273, - "epsilon_k": 267.52314 - } - }, - { - "identifier": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "molarweight": 76.052, - "model_record": { - "m": 1.27353, - "sigma": 4.5, - "epsilon_k": 425.83652, - "kappa_ab": 0.0043, - "epsilon_k_ab": 2591.96455, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "95-57-8", - "name": "o-chlorophenol", - "iupac_name": "2-chlorophenol", - "smiles": "Oc1ccccc1Cl", - "inchi": "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H" - }, - "molarweight": 128.003, - "model_record": { - "m": 3.3498, - "sigma": 3.4928, - "epsilon_k": 306.49192, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1924.66697, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "molarweight": 27.995, - "model_record": { - "m": 1.32286, - "sigma": 3.24532, - "epsilon_k": 91.17087 - } - }, - { - "identifier": { - "cas": "758-96-3", - "name": "n,n-dimethyl propanoic acid amide", - "iupac_name": "n,n-dimethylpropanamide", - "smiles": "CCC(=O)N(C)C", - "inchi": "InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3" - }, - "molarweight": 101.084, - "model_record": { - "m": 4.15632, - "sigma": 3.30827, - "epsilon_k": 273.01954, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "molarweight": 86.073, - "model_record": { - "m": 3.19277, - "sigma": 3.54508, - "epsilon_k": 254.58394, - "mu": 2.6, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "107771-01-7", - "name": "2,4,6-trimethylundecane", - "smiles": "CCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C14H30/c1-6-7-8-9-13(4)11-14(5)10-12(2)3/h12-14H,6-11H2,1-5H3" - }, - "molarweight": 198.235, - "model_record": { - "m": 6.27627, - "sigma": 3.81733, - "epsilon_k": 229.94787 - } - }, - { - "identifier": { - "cas": "1569-69-3", - "name": "cyclohexanethiol", - "iupac_name": "cyclohexanethiol", - "smiles": "SC1CCCCC1", - "inchi": "InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "molarweight": 116.066, - "model_record": { - "m": 2.62873, - "sigma": 4.02278, - "epsilon_k": 331.99316, - "kappa_ab": 0.00225, - "epsilon_k_ab": 1108.49129, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.43052, - "sigma": 3.97298, - "epsilon_k": 290.97705 - } - }, - { - "identifier": { - "cas": "112-63-0", - "name": "(z,z)-9,12-octadecadienoic acid methyl ester", - "iupac_name": "methyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-" - }, - "molarweight": 294.256, - "model_record": { - "m": 7.963, - "sigma": 3.9006, - "epsilon_k": 262.34149, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "110-49-6", - "name": "ethylene glycol acetate monomethyl ether", - "iupac_name": "2-methoxyethyl acetate", - "smiles": "COCCOC(C)=O", - "inchi": "InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3" - }, - "molarweight": 118.063, - "model_record": { - "m": 5.00381, - "sigma": 3.14689, - "epsilon_k": 228.89345, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "molarweight": 100.125, - "model_record": { - "m": 3.11223, - "sigma": 3.93843, - "epsilon_k": 240.15511 - } - }, - { - "identifier": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "molarweight": 99.989, - "model_record": { - "m": 2.4678, - "sigma": 3.4692, - "epsilon_k": 201.39327, - "mu": 2.14 - } - }, - { - "identifier": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "molarweight": 95.953, - "model_record": { - "m": 2.30034, - "sigma": 3.50157, - "epsilon_k": 274.52945 - } - }, - { - "identifier": { - "cas": "628-29-5", - "name": "methyl butyl sulfide", - "iupac_name": "1-methylsulfanylbutane", - "smiles": "CCCCSC", - "inchi": "InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "molarweight": 104.066, - "model_record": { - "m": 3.2739, - "sigma": 3.69774, - "epsilon_k": 268.67725, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "molarweight": 106.055, - "model_record": { - "m": 3.10434, - "sigma": 3.72056, - "epsilon_k": 262.99476, - "mu": 2.16 - } - }, - { - "identifier": { - "cas": "99914-84-8", - "name": "2-(1,2-dimethylpropyl)-5,6-dimethyl-2-heptenal", - "smiles": "CC(C)C(C)CC=C(C=O)C(C)C(C)C", - "inchi": "InChI=1S/C14H26O/c1-10(2)12(5)7-8-14(9-15)13(6)11(3)4/h8-13H,7H2,1-6H3" - }, - "molarweight": 210.198, - "model_record": { - "m": 5.40446, - "sigma": 3.97504, - "epsilon_k": 270.07525, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "122-52-1", - "name": "triethoxyphosphine", - "iupac_name": "triethyl phosphite", - "smiles": "CCOP(OCC)OCC", - "inchi": "InChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3" - }, - "molarweight": 166.076, - "model_record": { - "m": 4.73721, - "sigma": 3.64024, - "epsilon_k": 234.14407, - "mu": 1.8, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "6065-59-4", - "name": "diethyl ester pentylpropanedioic acid", - "iupac_name": "diethyl 2-pentylpropanedioate", - "smiles": "CCCCCC(C(=O)OCC)C(=O)OCC", - "inchi": "InChI=1S/C12H22O4/c1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3/h10H,4-9H2,1-3H3" - }, - "molarweight": 230.152, - "model_record": { - "m": 8.45375, - "sigma": 3.35349, - "epsilon_k": 214.62221, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "308-48-5", - "name": "perfluoro-di-n-butylether", - "iupac_name": "1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18O/c9-1(10,5(17,18)19)3(13,14)7(23,24)27-8(25,26)4(15,16)2(11,12)6(20,21)22" - }, - "molarweight": 453.966, - "model_record": { - "m": 5.78975, - "sigma": 3.81566, - "epsilon_k": 177.9356, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3" - }, - "molarweight": 268.313, - "model_record": { - "m": 8.17602, - "sigma": 3.87621, - "epsilon_k": 249.28432 - } - }, - { - "identifier": { - "cas": "679-86-7", - "name": "1,1,2,2,3-pentafluoropropane [r245ca]", - "iupac_name": "1,1,2,2,3-pentafluoropropane", - "smiles": "FCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H3F5/c4-1-3(7,8)2(5)6/h2H,1H2" - }, - "molarweight": 134.015, - "model_record": { - "m": 3.58945, - "sigma": 3.17112, - "epsilon_k": 191.93072, - "mu": 1.74 - } - }, - { - "identifier": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "molarweight": 102.032, - "model_record": { - "m": 4.12031, - "sigma": 3.13815, - "epsilon_k": 247.8918, - "mu": 2.79706, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "2530-83-8", - "name": "trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane", - "iupac_name": "trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane", - "smiles": "CO[Si](CCCOCC1CO1)(OC)OC", - "inchi": "InChI=1S/C9H20O5Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3" - }, - "molarweight": 236.108, - "model_record": { - "m": 6.69225, - "sigma": 3.57089, - "epsilon_k": 248.84645, - "nb": 5.0 - } - }, - { - "identifier": { - "cas": "61868-06-2", - "name": "2,4-dimethyltetradecane", - "iupac_name": "2,4-dimethyltetradecane", - "smiles": "CCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C16H34/c1-5-6-7-8-9-10-11-12-13-16(4)14-15(2)3/h15-16H,5-14H2,1-4H3" - }, - "molarweight": 226.266, - "model_record": { - "m": 6.90581, - "sigma": 3.87092, - "epsilon_k": 239.81844 - } - }, - { - "identifier": { - "cas": "14924-53-9", - "name": "ethyl ester cyclobutanecarboxylic acid", - "iupac_name": "ethyl cyclobutanecarboxylate", - "smiles": "CCOC(=O)C1CCC1", - "inchi": "InChI=1S/C7H12O2/c1-2-9-7(8)6-4-3-5-6/h6H,2-5H2,1H3" - }, - "molarweight": 128.084, - "model_record": { - "m": 4.03969, - "sigma": 3.54565, - "epsilon_k": 257.34034, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2050-60-4", - "name": "dibutyl oxalate", - "iupac_name": "dibutyl oxalate", - "smiles": "CCCCOC(=O)C(=O)OCCCC", - "inchi": "InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 202.121, - "model_record": { - "m": 6.02673, - "sigma": 3.60949, - "epsilon_k": 255.21388, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.60041, - "sigma": 3.50236, - "epsilon_k": 236.22568, - "mu": 1.75, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "4914-89-0", - "name": "cis-3-methyl-3-hexene", - "iupac_name": "(z)-3-methylhex-3-ene", - "smiles": "CC/C=C(/C)CC", - "inchi": "InChI=1S/C7H14/c1-4-6-7(3)5-2/h6H,4-5H2,1-3H3/b7-6-" - }, - "molarweight": 98.11, - "model_record": { - "m": 3.40918, - "sigma": 3.74143, - "epsilon_k": 240.73157 - } - }, - { - "identifier": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "molarweight": 93.058, - "model_record": { - "m": 2.87335, - "sigma": 3.61236, - "epsilon_k": 305.86255, - "mu": 2.6, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "375-83-7", - "name": "1-hydroperfluoroheptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane", - "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7HF15/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H" - }, - "molarweight": 369.984, - "model_record": { - "m": 5.38359, - "sigma": 3.65413, - "epsilon_k": 184.32924 - } - }, - { - "identifier": { - "cas": "4427-96-7", - "name": "vinylethylene carbonate", - "iupac_name": "4-ethenyl-1,3-dioxolan-2-one", - "smiles": "C=CC1COC(=O)O1", - "inchi": "InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2" - }, - "molarweight": 114.032, - "model_record": { - "m": 4.8871, - "sigma": 3.03148, - "epsilon_k": 292.57068, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "molarweight": 90.05, - "model_record": { - "m": 3.03562, - "sigma": 3.59981, - "epsilon_k": 258.53433, - "mu": 1.54, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2530-87-2", - "name": "3-chloropropyltrimethyoxysilane", - "iupac_name": "3-chloropropyl(trimethoxy)silane", - "smiles": "CO[Si](CCCCl)(OC)OC", - "inchi": "InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3" - }, - "molarweight": 198.048, - "model_record": { - "m": 5.06562, - "sigma": 3.66481, - "epsilon_k": 249.80363, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "592-57-4", - "name": "1,3-cyclohexadiene", - "iupac_name": "cyclohexa-1,3-diene", - "smiles": "C1=CCCC=C1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2" - }, - "molarweight": 80.063, - "model_record": { - "m": 2.42601, - "sigma": 3.74483, - "epsilon_k": 288.24559 - } - }, - { - "identifier": { - "cas": "636-72-6", - "name": "2-(hydroxymethyl)-thiophene", - "iupac_name": "thiophen-2-ylmethanol", - "smiles": "OCc1cccs1", - "inchi": "InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "molarweight": 114.014, - "model_record": { - "m": 4.16804, - "sigma": 3.19577, - "epsilon_k": 296.26814, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2842.48293, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "112-44-7", - "name": "undecanaldehyde", - "iupac_name": "undecanal", - "smiles": "CCCCCCCCCCC=O", - "inchi": "InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3" - }, - "molarweight": 170.167, - "model_record": { - "m": 6.37762, - "sigma": 3.50815, - "epsilon_k": 239.01984, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "592-13-2", - "name": "2,5-dimethylhexane", - "iupac_name": "2,5-dimethylhexane", - "smiles": "CC(C)CCC(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.55926, - "sigma": 3.92102, - "epsilon_k": 240.5764 - } - }, - { - "identifier": { - "cas": "628-41-1", - "name": "1,4-cyclohexadiene", - "iupac_name": "cyclohexa-1,4-diene", - "smiles": "C1=CCC=CC1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2" - }, - "molarweight": 80.063, - "model_record": { - "m": 2.591, - "sigma": 3.63991, - "epsilon_k": 285.76392 - } - }, - { - "identifier": { - "cas": "111-71-7", - "name": "heptanal", - "iupac_name": "heptanal", - "smiles": "CCCCCCC=O", - "inchi": "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3" - }, - "molarweight": 114.104, - "model_record": { - "m": 3.34262, - "sigma": 3.83567, - "epsilon_k": 281.1678, - "mu": 2.58, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "629-45-8", - "name": "5,6-dithiadecane", - "iupac_name": "1-(butyldisulfanyl)butane", - "smiles": "CCCCSSCCCC", - "inchi": "InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 178.085, - "model_record": { - "m": 4.37993, - "sigma": 3.9329, - "epsilon_k": 288.10826, - "mu": 2.09, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "molarweight": 100.089, - "model_record": { - "m": 3.5625, - "sigma": 3.57429, - "epsilon_k": 260.8682, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "558-37-2", - "name": "3,3-dimethyl-1-butene", - "iupac_name": "3,3-dimethylbut-1-ene", - "smiles": "C=CC(C)(C)C", - "inchi": "InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3" - }, - "molarweight": 84.094, - "model_record": { - "m": 2.60925, - "sigma": 3.94179, - "epsilon_k": 237.06988 - } - }, - { - "identifier": { - "cas": "118-93-4", - "name": "2'-hydroxyacetophenone", - "iupac_name": "1-(2-hydroxyphenyl)ethanone", - "smiles": "CC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3" - }, - "molarweight": 136.052, - "model_record": { - "m": 3.11993, - "sigma": 3.84571, - "epsilon_k": 335.67947, - "kappa_ab": 0.0322, - "epsilon_k_ab": 1154.32373, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "542-28-9", - "name": "tetrahydropyran-2-one", - "iupac_name": "oxan-2-one", - "smiles": "O=C1CCCCO1", - "inchi": "InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2" - }, - "molarweight": 100.052, - "model_record": { - "m": 2.93944, - "sigma": 3.56991, - "epsilon_k": 377.7964, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "692-49-9", - "name": "(z)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(z)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C\\C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1-" - }, - "molarweight": 164.006, - "model_record": { - "m": 4.70545, - "sigma": 3.08281, - "epsilon_k": 172.02424 - } - }, - { - "identifier": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "molarweight": 88.052, - "model_record": { - "m": 3.50937, - "sigma": 3.28854, - "epsilon_k": 232.26809, - "mu": 1.7, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 4.10988, - "sigma": 3.48087, - "epsilon_k": 235.72041, - "mu": 1.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - }, - "molarweight": 84.094, - "model_record": { - "m": 2.95813, - "sigma": 3.75296, - "epsilon_k": 241.79835 - } - }, - { - "identifier": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "molarweight": 90.068, - "model_record": { - "m": 2.37052, - "sigma": 3.86457, - "epsilon_k": 336.36802, - "kappa_ab": 0.00963, - "epsilon_k_ab": 2414.81877, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "335-65-9", - "name": "1h-perfluorooctane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane", - "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8HF17/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H" - }, - "molarweight": 419.981, - "model_record": { - "m": 5.59176, - "sigma": 3.76477, - "epsilon_k": 190.9998 - } - }, - { - "identifier": { - "cas": "931-88-4", - "name": "cyclooctene ", - "iupac_name": "cyclooctene", - "smiles": "C1=CCCCCCC1", - "inchi": "InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2" - }, - "molarweight": 110.11, - "model_record": { - "m": 2.66008, - "sigma": 4.06819, - "epsilon_k": 318.39691 - } - }, - { - "identifier": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "molarweight": 120.058, - "model_record": { - "m": 3.51297, - "sigma": 3.60957, - "epsilon_k": 310.07321, - "mu": 3.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "61827-87-0", - "name": "3-ethylpseudocumene", - "iupac_name": "2-ethyl-1,3,4-trimethylbenzene", - "smiles": "CCc1c(C)ccc(C)c1C", - "inchi": "InChI=1S/C11H16/c1-5-11-9(3)7-6-8(2)10(11)4/h6-7H,5H2,1-4H3" - }, - "molarweight": 148.125, - "model_record": { - "m": 4.91672, - "sigma": 3.58961, - "epsilon_k": 261.25797 - } - }, - { - "identifier": { - "cas": "310-71-4", - "name": "2-chloro-1,1,2-trifluoroethylethyl ether", - "iupac_name": "2-chloro-1-ethoxy-1,1,2-trifluoroethane", - "smiles": "CCOC(F)(F)C(F)Cl", - "inchi": "InChI=1S/C4H6ClF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3" - }, - "molarweight": 162.006, - "model_record": { - "m": 4.13159, - "sigma": 3.3972, - "epsilon_k": 215.27423, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "635-11-0", - "name": "1,2,4,5-tetrakis(1-methylethyl)benzene", - "iupac_name": "1,2,4,5-tetra(propan-2-yl)benzene", - "smiles": "CC(C)c1cc(C(C)C)c(C(C)C)cc1C(C)C", - "inchi": "InChI=1S/C18H30/c1-11(2)15-9-17(13(5)6)18(14(7)8)10-16(15)12(3)4/h9-14H,1-8H3" - }, - "molarweight": 246.235, - "model_record": { - "m": 6.20828, - "sigma": 3.98815, - "epsilon_k": 249.77819 - } - }, - { - "identifier": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "molarweight": 78.024, - "model_record": { - "m": 2.32462, - "sigma": 3.65984, - "epsilon_k": 248.20394, - "mu": 2.17 - } - }, - { - "identifier": { - "cas": "111-41-1", - "name": "n-(2-aminoethyl)ethanolamine", - "iupac_name": "2-(2-aminoethylamino)ethanol", - "smiles": "NCCNCCO", - "inchi": "InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2" - }, - "molarweight": 104.095, - "model_record": { - "m": 1.81544, - "sigma": 4.5, - "epsilon_k": 388.94976, - "kappa_ab": 0.00583, - "epsilon_k_ab": 1962.86684, - "na": 3.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "630-18-2", - "name": "2,2-dimethylpropionitrile", - "iupac_name": "2,2-dimethylpropanenitrile", - "smiles": "CC(C)(C)C#N", - "inchi": "InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3" - }, - "molarweight": 83.073, - "model_record": { - "m": 2.98099, - "sigma": 3.65941, - "epsilon_k": 245.50033, - "mu": 3.95, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "molarweight": 169.931, - "model_record": { - "m": 2.7784, - "sigma": 3.64165, - "epsilon_k": 202.49941 - } - }, - { - "identifier": { - "cas": "1691-17-4", - "name": "oxybis(difluoromethane)", - "iupac_name": "difluoromethoxy(difluoro)methane", - "smiles": "FC(F)OC(F)F", - "inchi": "InChI=1S/C2H2F4O/c3-1(4)7-2(5)6/h1-2H" - }, - "molarweight": 118.004, - "model_record": { - "m": 3.40285, - "sigma": 3.06523, - "epsilon_k": 184.81506, - "mu": 1.74, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "90-04-0", - "name": "o-anisidine", - "iupac_name": "2-methoxyaniline", - "smiles": "COc1ccccc1N", - "inchi": "InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3" - }, - "molarweight": 123.068, - "model_record": { - "m": 4.04557, - "sigma": 3.42518, - "epsilon_k": 305.82867, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2988.56172, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "molarweight": 121.089, - "model_record": { - "m": 3.7614, - "sigma": 3.60691, - "epsilon_k": 295.95329, - "mu": 1.6, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "338-83-0", - "name": "perfluoro-n,n-bis-propyl-1-propanamine", - "iupac_name": "1,1,2,2,3,3,3-heptafluoro-n,n-bis(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24" - }, - "molarweight": 520.97, - "model_record": { - "m": 6.20798, - "sigma": 3.82976, - "epsilon_k": 185.60985, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 3.43095, - "sigma": 4.04911, - "epsilon_k": 287.13533, - "kappa_ab": 0.00239, - "epsilon_k_ab": 2998.54369, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "123-05-7", - "name": "2-ethylhexanaldehyde", - "iupac_name": "2-ethylhexanal", - "smiles": "CCCCC(C=O)CC", - "inchi": "InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 128.12, - "model_record": { - "m": 3.62992, - "sigma": 3.88462, - "epsilon_k": 274.89537, - "mu": 2.64, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "molarweight": 86.037, - "model_record": { - "m": 3.08311, - "sigma": 3.36762, - "epsilon_k": 250.74352, - "mu": 1.77, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "96-24-2", - "name": "3-chloro-1,2-propanediol", - "iupac_name": "3-chloropropane-1,2-diol", - "smiles": "OCC(O)CCl", - "inchi": "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2" - }, - "molarweight": 110.013, - "model_record": { - "m": 3.15401, - "sigma": 3.29795, - "epsilon_k": 153.38396, - "kappa_ab": 0.0807, - "epsilon_k_ab": 2819.56437, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "544-40-1", - "name": "dibutylsulfide", - "iupac_name": "1-butylsulfanylbutane", - "smiles": "CCCCSCCCC", - "inchi": "InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 146.113, - "model_record": { - "m": 3.53849, - "sigma": 4.08612, - "epsilon_k": 293.65259, - "mu": 1.6, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "molarweight": 132.094, - "model_record": { - "m": 3.2666, - "sigma": 3.89672, - "epsilon_k": 327.28548 - } - }, - { - "identifier": { - "cas": "13151-35-4", - "name": "5-methyldecane", - "iupac_name": "5-methyldecane", - "smiles": "CCCCCC(C)CCCC", - "inchi": "InChI=1S/C11H24/c1-4-6-8-10-11(3)9-7-5-2/h11H,4-10H2,1-3H3" - }, - "molarweight": 156.188, - "model_record": { - "m": 4.30195, - "sigma": 4.05521, - "epsilon_k": 260.66453 - } - }, - { - "identifier": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "molarweight": 72.058, - "model_record": { - "m": 3.15915, - "sigma": 3.34711, - "epsilon_k": 234.75179, - "mu": 2.72, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "682-01-9", - "name": "propyl silicate", - "iupac_name": "tetrapropyl silicate", - "smiles": "CCCO[Si](OCCC)(OCCC)OCCC", - "inchi": "InChI=1S/C12H28O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-12H2,1-4H3" - }, - "molarweight": 264.176, - "model_record": { - "m": 7.16233, - "sigma": 3.80407, - "epsilon_k": 218.61918, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "528-29-0", - "name": "o-dinitrobenzene", - "iupac_name": "1,2-dinitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1[N+](=O)[O-]", - "inchi": "InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H" - }, - "molarweight": 168.017, - "model_record": { - "m": 3.31871, - "sigma": 3.78661, - "epsilon_k": 355.00665, - "mu": 6.3, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "5500-21-0", - "name": "cyclopropyl cyanide", - "iupac_name": "cyclopropanecarbonitrile", - "smiles": "N#CC1CC1", - "inchi": "InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2" - }, - "molarweight": 67.042, - "model_record": { - "m": 2.54287, - "sigma": 3.45745, - "epsilon_k": 291.46878, - "mu": 3.75, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "307-45-9", - "name": "perfluorodecane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C10F22/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32" - }, - "molarweight": 537.965, - "model_record": { - "m": 6.3228, - "sigma": 3.85218, - "epsilon_k": 190.43719 - } - }, - { - "identifier": { - "cas": "104-55-2", - "name": "cinnamaldehyde ", - "iupac_name": "(e)-3-phenylprop-2-enal", - "smiles": "O=CC=Cc1ccccc1", - "inchi": "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H" - }, - "molarweight": 132.058, - "model_record": { - "m": 4.56164, - "sigma": 3.33575, - "epsilon_k": 304.2789, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "830-13-7", - "name": "cyclododecanone", - "iupac_name": "cyclododecanone", - "smiles": "O=C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2" - }, - "molarweight": 182.167, - "model_record": { - "m": 3.9384, - "sigma": 4.12604, - "epsilon_k": 331.43702, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1012-72-2", - "name": "1,4-bis(1,1-dimethylethyl)benzene", - "iupac_name": "1,4-ditert-butylbenzene", - "smiles": "CC(C)(C)c1ccc(C(C)(C)C)cc1", - "inchi": "InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3" - }, - "molarweight": 190.172, - "model_record": { - "m": 4.90129, - "sigma": 3.95794, - "epsilon_k": 271.45198 - } - }, - { - "identifier": { - "cas": "7803-51-2", - "name": "phosphorous trihydride ", - "iupac_name": "phosphane", - "smiles": "P", - "inchi": "InChI=1S/H3P/h1H3" - }, - "molarweight": 33.997, - "model_record": { - "m": 1.15022, - "sigma": 3.73668, - "epsilon_k": 238.93667, - "mu": 0.58 - } - }, - { - "identifier": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "molarweight": 96.019, - "model_record": { - "m": 2.56573, - "sigma": 3.44587, - "epsilon_k": 177.11097, - "mu": 2.45 - } - }, - { - "identifier": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 88.089, - "model_record": { - "m": 3.18136, - "sigma": 3.62362, - "epsilon_k": 258.53327, - "kappa_ab": 0.00381, - "epsilon_k_ab": 2593.30289, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.6872, - "sigma": 3.88563, - "epsilon_k": 286.52262 - } - }, - { - "identifier": { - "cas": "17453-93-9", - "name": "5-methyldodecane", - "iupac_name": "5-methyldodecane", - "smiles": "CCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C13H28/c1-4-6-8-9-10-12-13(3)11-7-5-2/h13H,4-12H2,1-3H3" - }, - "molarweight": 184.219, - "model_record": { - "m": 4.89267, - "sigma": 4.09248, - "epsilon_k": 263.74322 - } - }, - { - "identifier": { - "cas": "539-88-8", - "name": "4-oxo-pentanoic acid ethyl ester", - "iupac_name": "ethyl 4-oxopentanoate", - "smiles": "CCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3" - }, - "molarweight": 144.079, - "model_record": { - "m": 4.58228, - "sigma": 3.50871, - "epsilon_k": 273.93752, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "527-53-7", - "name": "1,2,3,5-tetramethyl benzene", - "iupac_name": "1,2,3,5-tetramethylbenzene", - "smiles": "Cc1cc(C)c(C)c(C)c1", - "inchi": "InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.78838, - "sigma": 3.81133, - "epsilon_k": 292.98213 - } - }, - { - "identifier": { - "cas": "57-06-7", - "name": "allyl isothiocyanate", - "iupac_name": "3-isothiocyanatoprop-1-ene", - "smiles": "C=CCN=C=S", - "inchi": "InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2" - }, - "molarweight": 99.014, - "model_record": { - "m": 2.62321, - "sigma": 3.73506, - "epsilon_k": 335.16731, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "644-49-5", - "name": "propyl isobutyrate", - "iupac_name": "propyl 2-methylpropanoate", - "smiles": "CCCOC(=O)C(C)C", - "inchi": "InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.26309, - "sigma": 3.59836, - "epsilon_k": 235.84188, - "mu": 1.89, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "98-55-5", - "name": "p-menth-1-en-8-ol", - "iupac_name": "2-(4-methylcyclohex-3-en-1-yl)propan-2-ol", - "smiles": "CC1=CCC(C(C)(C)O)CC1", - "inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3" - }, - "molarweight": 154.136, - "model_record": { - "m": 3.71465, - "sigma": 4.00628, - "epsilon_k": 305.0386, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3469.2903, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "molarweight": 122.073, - "model_record": { - "m": 4.6755, - "sigma": 3.31694, - "epsilon_k": 271.41395, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3081.76465, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1067-42-1", - "name": "tetrabutylgermane", - "iupac_name": "tetrabutylgermane", - "smiles": "CCCC[Ge](CCCC)(CCCC)CCCC", - "inchi": "InChI=1S/C16H36Ge/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3" - }, - "molarweight": 302.203, - "model_record": { - "m": 7.47881, - "sigma": 3.90292, - "epsilon_k": 237.25775 - } - }, - { - "identifier": { - "cas": "4606-07-9", - "name": "ethyl cyclopropanecarboxylate", - "iupac_name": "ethyl cyclopropanecarboxylate", - "smiles": "CCOC(=O)C1CC1", - "inchi": "InChI=1S/C6H10O2/c1-2-8-6(7)5-3-4-5/h5H,2-4H2,1H3" - }, - "molarweight": 114.068, - "model_record": { - "m": 3.69511, - "sigma": 3.5026, - "epsilon_k": 259.75975, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "molarweight": 144.115, - "model_record": { - "m": 4.30318, - "sigma": 3.74007, - "epsilon_k": 251.37323, - "mu": 2.05, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "463-40-1", - "name": "linolenic acid", - "iupac_name": "(9z,12z,15z)-octadeca-9,12,15-trienoic acid", - "smiles": "CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-" - }, - "molarweight": 278.225, - "model_record": { - "m": 6.52426, - "sigma": 4.11208, - "epsilon_k": 304.22167, - "kappa_ab": 0.00206, - "epsilon_k_ab": 3789.84501, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "306-94-5", - "name": "perfluorodecalin ", - "iupac_name": "1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene", - "smiles": "FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F", - "inchi": "InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16" - }, - "molarweight": 461.971, - "model_record": { - "m": 4.72481, - "sigma": 4.00419, - "epsilon_k": 220.63716 - } - }, - { - "identifier": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "molarweight": 101.12, - "model_record": { - "m": 3.9759, - "sigma": 3.48282, - "epsilon_k": 157.89563, - "kappa_ab": 0.9, - "epsilon_k_ab": 1770.79743, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "molarweight": 88.089, - "model_record": { - "m": 2.53801, - "sigma": 3.91423, - "epsilon_k": 269.677, - "kappa_ab": 0.00144, - "epsilon_k_ab": 2636.1177, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "591-96-8", - "name": "2,3-pentadiene", - "iupac_name": "penta-2,3-diene", - "smiles": "CC=C=CC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2H3" - }, - "molarweight": 68.063, - "model_record": { - "m": 2.83396, - "sigma": 3.51896, - "epsilon_k": 238.07795 - } - }, - { - "identifier": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "molarweight": 208.113, - "model_record": { - "m": 5.87157, - "sigma": 3.68177, - "epsilon_k": 212.81468, - "mu": 1.7, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "molarweight": 100.052, - "model_record": { - "m": 3.6548, - "sigma": 3.38559, - "epsilon_k": 239.20215, - "mu": 1.6, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "514-03-4", - "name": "perfluoro-n-butyl-n-methyl-1-butanamine", - "iupac_name": "1,1,2,2,3,3,4,4,4-nonafluoro-n-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-n-(trifluoromethyl)butan-1-amine", - "smiles": "FC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C9F21N/c10-1(11,5(18,19)20)3(14,15)7(24,25)31(9(28,29)30)8(26,27)4(16,17)2(12,13)6(21,22)23" - }, - "molarweight": 520.97, - "model_record": { - "m": 6.24075, - "sigma": 3.82358, - "epsilon_k": 187.62309, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "359-70-6", - "name": "perfluorotriethylamine", - "iupac_name": "1,1,2,2,2-pentafluoro-n,n-bis(1,1,2,2,2-pentafluoroethyl)ethanamine", - "smiles": "FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15" - }, - "molarweight": 370.979, - "model_record": { - "m": 4.9909, - "sigma": 3.69676, - "epsilon_k": 177.52418, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "99-83-2", - "name": "alpha-phellandrene", - "iupac_name": "2-methyl-5-propan-2-ylcyclohexa-1,3-diene", - "smiles": "CC1=CCC(C(C)C)C=C1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.65094, - "sigma": 3.9279, - "epsilon_k": 281.46315 - } - }, - { - "identifier": { - "cas": "16747-38-9", - "name": "2,3,3,4-tetramethylpentane", - "iupac_name": "2,3,3,4-tetramethylpentane", - "smiles": "CC(C)C(C)(C)C(C)C", - "inchi": "InChI=1S/C9H20/c1-7(2)9(5,6)8(3)4/h7-8H,1-6H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 3.23656, - "sigma": 4.13476, - "epsilon_k": 274.92506 - } - }, - { - "identifier": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "molarweight": 100.089, - "model_record": { - "m": 2.52808, - "sigma": 3.92808, - "epsilon_k": 324.7137, - "kappa_ab": 0.00171, - "epsilon_k_ab": 2781.12609, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "10294-34-5", - "name": "boron trichloride", - "iupac_name": "trichloroborane", - "smiles": "ClB(Cl)Cl", - "inchi": "InChI=1S/BCl3/c2-1(3)4" - }, - "molarweight": 115.916, - "model_record": { - "m": 2.05618, - "sigma": 3.73205, - "epsilon_k": 255.7477 - } - }, - { - "identifier": { - "cas": "112-17-4", - "name": "decyl acetate", - "iupac_name": "decyl acetate", - "smiles": "CCCCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3" - }, - "molarweight": 200.178, - "model_record": { - "m": 6.49423, - "sigma": 3.65401, - "epsilon_k": 242.86719, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "86-53-3", - "name": "1-cyanonaphthalene", - "iupac_name": "naphthalene-1-carbonitrile", - "smiles": "N#Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H" - }, - "molarweight": 153.058, - "model_record": { - "m": 3.65703, - "sigma": 3.80847, - "epsilon_k": 371.06705, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-44-1", - "name": "m-methylaniline", - "iupac_name": "3-methylaniline", - "smiles": "Cc1cccc(N)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.44585, - "sigma": 3.56396, - "epsilon_k": 320.12169, - "kappa_ab": 0.00015, - "epsilon_k_ab": 2883.45347, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "527-84-4", - "name": "2-isopropyltoluene", - "iupac_name": "1-methyl-2-propan-2-ylbenzene", - "smiles": "Cc1ccccc1C(C)C", - "inchi": "InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.67482, - "sigma": 3.85623, - "epsilon_k": 284.24698 - } - }, - { - "identifier": { - "cas": "821-76-1", - "name": "1,7-dichloroheptane", - "iupac_name": "1,7-dichloroheptane", - "smiles": "ClCCCCCCCCl", - "inchi": "InChI=1S/C7H14Cl2/c8-6-4-2-1-3-5-7-9/h1-7H2" - }, - "molarweight": 168.047, - "model_record": { - "m": 4.96676, - "sigma": 3.55318, - "epsilon_k": 269.95191 - } - }, - { - "identifier": { - "cas": "120-80-9", - "name": "1,2-dihydroxybenzene ", - "iupac_name": "benzene-1,2-diol", - "smiles": "Oc1ccccc1O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "molarweight": 110.037, - "model_record": { - "m": 3.97919, - "sigma": 3.18931, - "epsilon_k": 330.12787, - "kappa_ab": 0.002, - "epsilon_k_ab": 1472.68371, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "molarweight": 127.903, - "model_record": { - "m": 2.22599, - "sigma": 3.41073, - "epsilon_k": 297.84331, - "mu": 1.66 - } - }, - { - "identifier": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "molarweight": 104.047, - "model_record": { - "m": 2.17754, - "sigma": 3.99934, - "epsilon_k": 351.27028, - "kappa_ab": 0.00191, - "epsilon_k_ab": 1741.34134, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "55-63-0", - "name": "1,2,3-propanetriol trinitrate ", - "iupac_name": "1,3-dinitrooxypropan-2-yl nitrate", - "smiles": "O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]", - "inchi": "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2" - }, - "molarweight": 227.003, - "model_record": { - "m": 10.66681, - "sigma": 2.61776, - "epsilon_k": 206.64887, - "mu": 3.15, - "nb": 9.0 - } - }, - { - "identifier": { - "cas": "589-81-1", - "name": "3-methylheptane", - "iupac_name": "3-methylheptane", - "smiles": "CCCCC(C)CC", - "inchi": "InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.61455, - "sigma": 3.88542, - "epsilon_k": 245.59768 - } - }, - { - "identifier": { - "cas": "66804-94-2", - "name": "5-trifluoromethylperfluoro-3,6-dioxanonane", - "iupac_name": "1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,1,2,2,2-pentafluoroethoxy)propane", - "smiles": "FC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C8F18O2/c9-1(10,3(12,13)14)6(21,22)27-2(11,4(15,16)17)7(23,24)28-8(25,26)5(18,19)20" - }, - "molarweight": 469.961, - "model_record": { - "m": 5.54404, - "sigma": 3.92896, - "epsilon_k": 177.33178, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "110-66-7", - "name": "1-pentanethiol", - "iupac_name": "pentane-1-thiol", - "smiles": "CCCCCS", - "inchi": "InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "molarweight": 104.066, - "model_record": { - "m": 2.92309, - "sigma": 3.87121, - "epsilon_k": 284.25802, - "kappa_ab": 0.02376, - "epsilon_k_ab": 845.14226, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "molarweight": 70.042, - "model_record": { - "m": 3.1553, - "sigma": 3.27402, - "epsilon_k": 237.57432, - "mu": 3.67, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "623-19-8", - "name": "furfuryl propanoate", - "iupac_name": "furan-2-ylmethyl propanoate", - "smiles": "CCC(=O)OCc1ccco1", - "inchi": "InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3" - }, - "molarweight": 154.063, - "model_record": { - "m": 5.61657, - "sigma": 3.24379, - "epsilon_k": 239.60235, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "99-09-2", - "name": "m-nitroaniline", - "iupac_name": "3-nitroaniline", - "smiles": "Nc1cccc([N+](=O)[O-])c1", - "inchi": "InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2" - }, - "molarweight": 138.043, - "model_record": { - "m": 3.16452, - "sigma": 3.65361, - "epsilon_k": 289.8472, - "kappa_ab": 0.03854, - "epsilon_k_ab": 3313.70612, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.28595, - "sigma": 3.73161, - "epsilon_k": 239.9998, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1067-20-5", - "name": "3,3-diethylpentane", - "iupac_name": "3,3-diethylpentane", - "smiles": "CCC(CC)(CC)CC", - "inchi": "InChI=1S/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 3.24028, - "sigma": 4.14875, - "epsilon_k": 277.80264 - } - }, - { - "identifier": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "molarweight": 108.058, - "model_record": { - "m": 4.16868, - "sigma": 3.28945, - "epsilon_k": 289.41029, - "kappa_ab": 0.00052, - "epsilon_k_ab": 2624.74648, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "993-00-0", - "name": "chloro(methyl)silane", - "iupac_name": "chloro(methyl)silane", - "smiles": "C[SiH2]Cl", - "inchi": "InChI=1S/CH5ClSi/c1-3-2/h3H2,1H3" - }, - "molarweight": 79.985, - "model_record": { - "m": 2.33529, - "sigma": 3.59111, - "epsilon_k": 225.73987, - "mu": 1.93 - } - }, - { - "identifier": { - "cas": "2039-93-2", - "name": "2-phenylbutene-1", - "iupac_name": "but-1-en-2-ylbenzene", - "smiles": "C=C(CC)c1ccccc1", - "inchi": "InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3" - }, - "molarweight": 132.094, - "model_record": { - "m": 4.42067, - "sigma": 3.56046, - "epsilon_k": 260.31433 - } - }, - { - "identifier": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "molarweight": 168.09, - "model_record": { - "m": 5.61563, - "sigma": 3.47802, - "epsilon_k": 270.18282, - "mu": 3.24, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "110-12-3", - "name": "5-methyl-2-hexanone", - "iupac_name": "5-methylhexan-2-one", - "smiles": "CC(=O)CCC(C)C", - "inchi": "InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3" - }, - "molarweight": 114.104, - "model_record": { - "m": 3.95598, - "sigma": 3.60384, - "epsilon_k": 253.74655, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "molarweight": 93.991, - "model_record": { - "m": 2.51276, - "sigma": 3.63388, - "epsilon_k": 305.80846, - "mu": 1.98, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-33-2", - "name": "2-propanethiol", - "iupac_name": "propane-2-thiol", - "smiles": "CC(C)S", - "inchi": "InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3" - }, - "molarweight": 76.035, - "model_record": { - "m": 2.32159, - "sigma": 3.74129, - "epsilon_k": 268.34785, - "kappa_ab": 0.02156, - "epsilon_k_ab": 586.54149, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-81-6", - "name": "diethyl disulfide", - "iupac_name": "(ethyldisulfanyl)ethane", - "smiles": "CCSSCC", - "inchi": "InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "molarweight": 122.022, - "model_record": { - "m": 3.20244, - "sigma": 3.75113, - "epsilon_k": 292.98055, - "mu": 1.96, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "molarweight": 86.073, - "model_record": { - "m": 3.28852, - "sigma": 3.50152, - "epsilon_k": 251.26088, - "mu": 2.5, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1066-40-6", - "name": "trimethylsilanol", - "iupac_name": "hydroxy(trimethyl)silane", - "smiles": "C[Si](C)(C)O", - "inchi": "InChI=1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3" - }, - "molarweight": 90.05, - "model_record": { - "m": 1.73103, - "sigma": 4.5, - "epsilon_k": 318.3541, - "kappa_ab": 0.00126, - "epsilon_k_ab": 2713.12926, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "molarweight": 134.094, - "model_record": { - "m": 2.13015, - "sigma": 4.5, - "epsilon_k": 283.49161, - "kappa_ab": 0.005, - "epsilon_k_ab": 3215.09581, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "626-89-1", - "name": "4-methyl-1-pentanol", - "iupac_name": "4-methylpentan-1-ol", - "smiles": "CC(C)CCCO", - "inchi": "InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.49708, - "sigma": 3.69236, - "epsilon_k": 269.77131, - "kappa_ab": 0.00036, - "epsilon_k_ab": 3198.82263, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "287-27-4", - "name": "thiacyclobutane", - "iupac_name": "thietane", - "smiles": "C1CSC1", - "inchi": "InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2" - }, - "molarweight": 74.019, - "model_record": { - "m": 2.15097, - "sigma": 3.58444, - "epsilon_k": 326.05227, - "mu": 1.85, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1074-17-5", - "name": "o-propyltoluene", - "iupac_name": "1-methyl-2-propylbenzene", - "smiles": "CCCc1ccccc1C", - "inchi": "InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.73733, - "sigma": 3.84255, - "epsilon_k": 286.07653 - } - }, - { - "identifier": { - "cas": "661-97-2", - "name": "1,2-dichlorohexafluoropropane", - "iupac_name": "1,2-dichloro-1,1,2,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)C(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C3Cl2F6/c4-1(6,2(5,7)8)3(9,10)11" - }, - "molarweight": 219.928, - "model_record": { - "m": 2.92332, - "sigma": 3.85802, - "epsilon_k": 215.52046 - } - }, - { - "identifier": { - "cas": "627-13-4", - "name": "n-propylnitrate", - "iupac_name": "propyl nitrate", - "smiles": "CCCO[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3" - }, - "molarweight": 105.043, - "model_record": { - "m": 3.41489, - "sigma": 3.38511, - "epsilon_k": 258.72139, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "141-05-9", - "name": "diethyl maleate", - "iupac_name": "diethyl (z)-but-2-enedioate", - "smiles": "CCOC(=O)/C=C\\C(=O)OCC", - "inchi": "InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-" - }, - "molarweight": 172.074, - "model_record": { - "m": 6.06371, - "sigma": 3.36365, - "epsilon_k": 242.80051, - "mu": 2.56, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "13550-49-7", - "name": "ammonia-d3", - "smiles": "[2H]N([2H])[2H]", - "inchi": "InChI=1S/H3N/h1H3/i/hD3" - }, - "molarweight": 17.027, - "model_record": { - "m": 2.77559, - "sigma": 2.0918, - "epsilon_k": 129.26607, - "kappa_ab": 0.9, - "epsilon_k_ab": 1233.55723, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "558-30-5", - "name": "2,2-dimethyloxirane", - "iupac_name": "2,2-dimethyloxirane", - "smiles": "CC1(C)CO1", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3" - }, - "molarweight": 72.058, - "model_record": { - "m": 2.93339, - "sigma": 3.36355, - "epsilon_k": 238.26391, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "molarweight": 86.037, - "model_record": { - "m": 3.4349, - "sigma": 3.25832, - "epsilon_k": 231.07879, - "mu": 1.7, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "302-01-2", - "name": "hydrazine", - "iupac_name": "hydrazine", - "smiles": "NN", - "inchi": "InChI=1S/H4N2/c1-2/h1-2H2" - }, - "molarweight": 32.037, - "model_record": { - "m": 3.4085, - "sigma": 2.31839, - "epsilon_k": 155.08363, - "kappa_ab": 0.46362, - "epsilon_k_ab": 1429.71353, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "7803-52-3", - "name": "stibine", - "iupac_name": "stibane", - "smiles": "[H].[H].[H].[Sb]", - "inchi": "InChI=1S/Sb.3H" - }, - "molarweight": 123.927, - "model_record": { - "m": 1.30503, - "sigma": 3.84135, - "epsilon_k": 309.98249 - } - }, - { - "identifier": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "molarweight": 58.042, - "model_record": { - "m": 2.56038, - "sigma": 3.31135, - "epsilon_k": 242.9782, - "mu": 2.52, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "molarweight": 199.987, - "model_record": { - "m": 3.62556, - "sigma": 3.40444, - "epsilon_k": 167.17625 - } - }, - { - "identifier": { - "cas": "509-14-8", - "name": "tetranitromethane", - "iupac_name": "tetranitromethane", - "smiles": "O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]", - "inchi": "InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13" - }, - "molarweight": 195.972, - "model_record": { - "m": 4.00632, - "sigma": 3.40775, - "epsilon_k": 243.79856, - "nb": 8.0 - } - }, - { - "identifier": { - "cas": "112-88-9", - "name": "1-octadecene", - "iupac_name": "octadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3" - }, - "molarweight": 252.282, - "model_record": { - "m": 8.74357, - "sigma": 3.69538, - "epsilon_k": 235.99113 - } - }, - { - "identifier": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "molarweight": 117.914, - "model_record": { - "m": 2.50983, - "sigma": 3.43821, - "epsilon_k": 270.98618, - "mu": 1.01 - } - }, - { - "identifier": { - "cas": "6418-41-3", - "name": "3-methyltridecane", - "iupac_name": "3-methyltridecane", - "smiles": "CCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C14H30/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h14H,4-13H2,1-3H3" - }, - "molarweight": 198.235, - "model_record": { - "m": 5.51058, - "sigma": 4.02287, - "epsilon_k": 260.30624 - } - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "molarweight": 100.125, - "model_record": { - "m": 3.49412, - "sigma": 3.79257, - "epsilon_k": 238.11279 - } - }, - { - "identifier": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 4.08102, - "sigma": 3.49462, - "epsilon_k": 235.4516, - "mu": 1.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "116-09-6", - "name": "1-hydroxy-2-propanone", - "iupac_name": "1-hydroxypropan-2-one", - "smiles": "CC(=O)CO", - "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3" - }, - "molarweight": 74.037, - "model_record": { - "m": 1.0, - "sigma": 4.33019, - "epsilon_k": 138.52389, - "kappa_ab": 0.00653, - "epsilon_k_ab": 4215.04913, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "molarweight": 135.97, - "model_record": { - "m": 3.01737, - "sigma": 3.32343, - "epsilon_k": 184.87384 - } - }, - { - "identifier": { - "cas": "821-95-4", - "name": "1-undecene", - "iupac_name": "undec-1-ene", - "smiles": "C=CCCCCCCCCC", - "inchi": "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3" - }, - "molarweight": 154.172, - "model_record": { - "m": 4.83607, - "sigma": 3.85934, - "epsilon_k": 249.31958 - } - }, - { - "identifier": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "molarweight": 64.008, - "model_record": { - "m": 2.1914, - "sigma": 3.4313, - "epsilon_k": 239.009, - "mu": 2.05 - } - }, - { - "identifier": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "molarweight": 67.042, - "model_record": { - "m": 2.76368, - "sigma": 3.41921, - "epsilon_k": 276.23149, - "mu": 3.4, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "4439-20-7", - "name": "n,n'-bis(2-hydroxyethyl)ethylenediamine", - "iupac_name": "2-[2-(2-hydroxyethylamino)ethylamino]ethanol", - "smiles": "OCCNCCNCCO", - "inchi": "InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2" - }, - "molarweight": 148.121, - "model_record": { - "m": 4.38495, - "sigma": 3.65422, - "epsilon_k": 316.92695, - "kappa_ab": 0.01974, - "epsilon_k_ab": 1422.0951, - "na": 4.0, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "molarweight": 42.047, - "model_record": { - "m": 1.95306, - "sigma": 3.53847, - "epsilon_k": 207.73187 - } - }, - { - "identifier": { - "cas": "93-54-9", - "name": "1-phenyl-1-propanol", - "iupac_name": "1-phenylpropan-1-ol", - "smiles": "CCC(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3" - }, - "molarweight": 136.089, - "model_record": { - "m": 3.21885, - "sigma": 3.95653, - "epsilon_k": 311.2734, - "kappa_ab": 0.01842, - "epsilon_k_ab": 2229.55281, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "662-35-1", - "name": "1,1,1,2,2,3,3,4-octafluorobutane [r338ccb]", - "iupac_name": "1,1,1,2,2,3,3,4-octafluorobutane", - "smiles": "FCC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H2F8/c5-1-2(6,7)3(8,9)4(10,11)12/h1H2" - }, - "molarweight": 202.003, - "model_record": { - "m": 4.08907, - "sigma": 3.35655, - "epsilon_k": 177.45231 - } - }, - { - "identifier": { - "cas": "109-05-7", - "name": "2-methylpiperidine", - "iupac_name": "2-methylpiperidine", - "smiles": "CC1CCCCN1", - "inchi": "InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3" - }, - "molarweight": 99.105, - "model_record": { - "m": 2.43311, - "sigma": 4.07332, - "epsilon_k": 300.19529, - "kappa_ab": 0.05202, - "epsilon_k_ab": 956.24133, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "375-82-6", - "name": "1,1-dihydroperfluoroheptanol", - "iupac_name": "2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-ol", - "smiles": "OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7H3F13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h21H,1H2" - }, - "molarweight": 349.998, - "model_record": { - "m": 5.68148, - "sigma": 3.60554, - "epsilon_k": 197.10418, - "kappa_ab": 0.00415, - "epsilon_k_ab": 2605.40567, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "molarweight": 141.918, - "model_record": { - "m": 2.56319, - "sigma": 3.51395, - "epsilon_k": 305.94412 - } - }, - { - "identifier": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "molarweight": 120.094, - "model_record": { - "m": 3.3635, - "sigma": 3.84131, - "epsilon_k": 287.00112 - } - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "molarweight": 84.094, - "model_record": { - "m": 3.00344, - "sigma": 3.74536, - "epsilon_k": 236.43528 - } - }, - { - "identifier": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "molarweight": 90.05, - "model_record": { - "m": 2.76933, - "sigma": 3.72642, - "epsilon_k": 277.33086, - "kappa_ab": 0.01109, - "epsilon_k_ab": 659.55224, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 88.089, - "model_record": { - "m": 2.81475, - "sigma": 3.77949, - "epsilon_k": 260.74414, - "kappa_ab": 0.00314, - "epsilon_k_ab": 2683.67172, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "623-93-8", - "name": "5-nonanol", - "iupac_name": "nonan-5-ol", - "smiles": "CCCCC(O)CCCC", - "inchi": "InChI=1S/C9H20O/c1-3-5-7-9(10)8-6-4-2/h9-10H,3-8H2,1-2H3" - }, - "molarweight": 144.151, - "model_record": { - "m": 6.75491, - "sigma": 3.27587, - "epsilon_k": 217.01646, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3031.99443, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 2.72168, - "sigma": 3.86206, - "epsilon_k": 302.8269, - "kappa_ab": 0.09951, - "epsilon_k_ab": 1972.15484, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "5343-92-0", - "name": "1,2-pentanediol", - "iupac_name": "pentane-1,2-diol", - "smiles": "CCCC(O)CO", - "inchi": "InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3" - }, - "molarweight": 104.084, - "model_record": { - "m": 1.84674, - "sigma": 4.5, - "epsilon_k": 400.20291, - "kappa_ab": 0.0032, - "epsilon_k_ab": 2318.50611, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "556-24-1", - "name": "methyl isovalerate", - "iupac_name": "methyl 3-methylbutanoate", - "smiles": "COC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 4.17748, - "sigma": 3.45285, - "epsilon_k": 230.94385, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "6863-58-7", - "name": "di-sec-butyl ether", - "iupac_name": "2-butan-2-yloxybutane", - "smiles": "CCC(C)OC(C)CC", - "inchi": "InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 3.88483, - "sigma": 3.85808, - "epsilon_k": 237.08157, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "molarweight": 73.053, - "model_record": { - "m": 2.92214, - "sigma": 3.33745, - "epsilon_k": 285.39167, - "mu": 3.86, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "103-71-9", - "name": "phenyl isocyanate", - "iupac_name": "isocyanatobenzene", - "smiles": "O=C=Nc1ccccc1", - "inchi": "InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H" - }, - "molarweight": 119.037, - "model_record": { - "m": 3.04118, - "sigma": 3.68196, - "epsilon_k": 311.53357, - "mu": 2.42, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "108-41-8", - "name": "m-chlorotoluene", - "iupac_name": "1-chloro-3-methylbenzene", - "smiles": "Cc1cccc(Cl)c1", - "inchi": "InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3" - }, - "molarweight": 126.024, - "model_record": { - "m": 3.01284, - "sigma": 3.78371, - "epsilon_k": 312.30087 - } - }, - { - "identifier": { - "cas": "497-26-7", - "name": "2-methyl-1,3-dioxolane", - "iupac_name": "2-methyl-1,3-dioxolane", - "smiles": "CC1OCCO1", - "inchi": "InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3" - }, - "molarweight": 88.052, - "model_record": { - "m": 3.69001, - "sigma": 3.15282, - "epsilon_k": 230.33569, - "mu": 1.21, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "78-97-7", - "name": "2-hydroxy propionitrile", - "iupac_name": "2-hydroxypropanenitrile", - "smiles": "CC(O)C#N", - "inchi": "InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3" - }, - "molarweight": 71.037, - "model_record": { - "m": 1.08926, - "sigma": 4.44925, - "epsilon_k": 211.0049, - "kappa_ab": 0.00126, - "epsilon_k_ab": 4999.99998, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "7351-61-3", - "name": "2-methyl-2-propenoic acid 3-(trichlorosilyl)propyl ester", - "iupac_name": "3-trichlorosilylpropyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCC[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C7H11Cl3O2Si/c1-6(2)7(11)12-4-3-5-13(8,9)10/h1,3-5H2,2H3" - }, - "molarweight": 259.959, - "model_record": { - "m": 19.52397, - "sigma": 2.36654, - "epsilon_k": 155.91124, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "molarweight": 56.026, - "model_record": { - "m": 2.52214, - "sigma": 3.255, - "epsilon_k": 232.73171, - "mu": 3.04, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "molarweight": 92.039, - "model_record": { - "m": 2.58818, - "sigma": 3.75701, - "epsilon_k": 260.48671, - "mu": 2.1 - } - }, - { - "identifier": { - "cas": "10545-99-0", - "name": "sulfur dichloride", - "iupac_name": "chloro thiohypochlorite", - "smiles": "ClSCl", - "inchi": "InChI=1S/Cl2S/c1-3-2" - }, - "molarweight": 101.91, - "model_record": { - "m": 2.11157, - "sigma": 3.40861, - "epsilon_k": 305.13997, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "molarweight": 31.042, - "model_record": { - "m": 2.48304, - "sigma": 2.85375, - "epsilon_k": 212.82483, - "kappa_ab": 0.10474, - "epsilon_k_ab": 610.87229, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1122-60-7", - "name": "nitrocyclohexane", - "iupac_name": "nitrocyclohexane", - "smiles": "O=[N+]([O-])C1CCCCC1", - "inchi": "InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2" - }, - "molarweight": 129.079, - "model_record": { - "m": 3.36571, - "sigma": 3.70945, - "epsilon_k": 324.88581, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "6742-54-7", - "name": "1-phenylundecane", - "iupac_name": "undecylbenzene", - "smiles": "CCCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3" - }, - "molarweight": 232.219, - "model_record": { - "m": 6.50714, - "sigma": 3.90016, - "epsilon_k": 270.77217 - } - }, - { - "identifier": { - "cas": "763-69-9", - "name": "propionic acid,beta ethoxy,ethyl ester", - "iupac_name": "ethyl 3-ethoxypropanoate", - "smiles": "CCOCCC(=O)OCC", - "inchi": "InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3" - }, - "molarweight": 146.094, - "model_record": { - "m": 4.80852, - "sigma": 3.50647, - "epsilon_k": 242.12739, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "molarweight": 242.225, - "model_record": { - "m": 7.41351, - "sigma": 3.74564, - "epsilon_k": 248.9239, - "mu": 1.61, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "molarweight": 60.058, - "model_record": { - "m": 3.64801, - "sigma": 3.01354, - "epsilon_k": 213.86818, - "kappa_ab": 0.03853, - "epsilon_k_ab": 1980.96875, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "4860-03-1", - "name": "1-chlorohexadecane", - "iupac_name": "1-chlorohexadecane", - "smiles": "CCCCCCCCCCCCCCCCCl", - "inchi": "InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3" - }, - "molarweight": 260.227, - "model_record": { - "m": 12.20003, - "sigma": 3.21902, - "epsilon_k": 210.28436 - } - }, - { - "identifier": { - "cas": "14290-92-7", - "name": "ethyl-tert-butyl sulfide", - "iupac_name": "2-ethylsulfanyl-2-methylpropane", - "smiles": "CCSC(C)(C)C", - "inchi": "InChI=1S/C6H14S/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "molarweight": 118.082, - "model_record": { - "m": 3.21331, - "sigma": 3.90645, - "epsilon_k": 264.67979, - "mu": 1.64, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "617-86-7", - "name": "triethylsilane", - "iupac_name": "triethylsilane", - "smiles": "CC[SiH](CC)CC", - "inchi": "InChI=1S/C6H16Si/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3" - }, - "molarweight": 116.102, - "model_record": { - "m": 3.56327, - "sigma": 3.87224, - "epsilon_k": 240.79669 - } - }, - { - "identifier": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "molarweight": 96.058, - "model_record": { - "m": 3.56512, - "sigma": 3.39067, - "epsilon_k": 239.39843, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "55000-55-0", - "name": "7-butyl-1-hexylnaphthalene", - "iupac_name": "7-butyl-1-hexylnaphthalene", - "smiles": "CCCCCCc1cccc2ccc(CCCC)cc12", - "inchi": "InChI=1S/C20H28/c1-3-5-7-8-11-18-12-9-13-19-15-14-17(10-6-4-2)16-20(18)19/h9,12-16H,3-8,10-11H2,1-2H3" - }, - "molarweight": 268.219, - "model_record": { - "m": 6.59189, - "sigma": 3.98367, - "epsilon_k": 293.53713 - } - }, - { - "identifier": { - "cas": "4549-31-9", - "name": "1,7-dibromoheptane", - "iupac_name": "1,7-dibromoheptane", - "smiles": "BrCCCCCCCBr", - "inchi": "InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2" - }, - "molarweight": 255.946, - "model_record": { - "m": 5.76383, - "sigma": 3.43526, - "epsilon_k": 267.6361 - } - }, - { - "identifier": { - "cas": "89-61-2", - "name": "2,5-dichloronitrobenzol", - "iupac_name": "1,4-dichloro-2-nitrobenzene", - "smiles": "O=[N+]([O-])c1cc(Cl)ccc1Cl", - "inchi": "InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H" - }, - "molarweight": 190.954, - "model_record": { - "m": 3.8137, - "sigma": 3.64374, - "epsilon_k": 340.876, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "78-88-6", - "name": "2,3-dichloropropene", - "iupac_name": "2,3-dichloroprop-1-ene", - "smiles": "C=C(Cl)CCl", - "inchi": "InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2" - }, - "molarweight": 109.969, - "model_record": { - "m": 3.05822, - "sigma": 3.38941, - "epsilon_k": 262.25539, - "mu": 1.74 - } - }, - { - "identifier": { - "cas": "103-76-4", - "name": "n-(2-hydroxyethyl)piperazine", - "iupac_name": "2-piperazin-1-ylethanol", - "smiles": "OCCN1CCNCC1", - "inchi": "InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2" - }, - "molarweight": 130.111, - "model_record": { - "m": 2.96706, - "sigma": 3.98397, - "epsilon_k": 353.41088, - "kappa_ab": 0.00881, - "epsilon_k_ab": 1532.90456, - "na": 2.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "10035-10-6", - "name": "hydrogen bromide", - "iupac_name": "bromane", - "smiles": "Br", - "inchi": "InChI=1S/BrH/h1H" - }, - "molarweight": 79.926, - "model_record": { - "m": 1.39367, - "sigma": 3.25377, - "epsilon_k": 242.22684, - "mu": 0.82 - } - }, - { - "identifier": { - "cas": "999-97-3", - "name": "hexamethyldisilazane", - "iupac_name": "[dimethyl-(trimethylsilylamino)silyl]methane", - "smiles": "C[Si](C)(C)N[Si](C)(C)C", - "inchi": "InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3" - }, - "molarweight": 161.106, - "model_record": { - "m": 3.68435, - "sigma": 4.20139, - "epsilon_k": 241.78904, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0052, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "64-04-0", - "name": "1-amino-2-phenyl-ethane", - "iupac_name": "2-phenylethanamine", - "smiles": "NCCc1ccccc1", - "inchi": "InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2" - }, - "molarweight": 121.089, - "model_record": { - "m": 4.16377, - "sigma": 3.49019, - "epsilon_k": 274.53673, - "kappa_ab": 0.9, - "epsilon_k_ab": 334.27483, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7642-04-8", - "name": "cis-2-octene", - "iupac_name": "(z)-oct-2-ene", - "smiles": "C/C=C\\CCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3-" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.31024, - "sigma": 3.96513, - "epsilon_k": 263.2299 - } - }, - { - "identifier": { - "cas": "75-26-3", - "name": "isopropyl bromide", - "iupac_name": "2-bromopropane", - "smiles": "CC(C)Br", - "inchi": "InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3" - }, - "molarweight": 121.973, - "model_record": { - "m": 2.16309, - "sigma": 3.84311, - "epsilon_k": 281.23985, - "mu": 2.21 - } - }, - { - "identifier": { - "cas": "585-79-5", - "name": "m-bromonitrobenzene", - "iupac_name": "1-bromo-3-nitrobenzene", - "smiles": "O=[N+]([O-])c1cccc(Br)c1", - "inchi": "InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" - }, - "molarweight": 200.943, - "model_record": { - "m": 3.691, - "sigma": 3.58871, - "epsilon_k": 344.22279, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "100-74-3", - "name": "4-ethylmorpholine", - "iupac_name": "4-ethylmorpholine", - "smiles": "CCN1CCOCC1", - "inchi": "InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3" - }, - "molarweight": 115.1, - "model_record": { - "m": 3.28524, - "sigma": 3.74346, - "epsilon_k": 278.33547, - "mu": 1.45, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "77-76-9", - "name": "2,2-dimethoxypropane", - "iupac_name": "2,2-dimethoxypropane", - "smiles": "COC(C)(C)OC", - "inchi": "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3" - }, - "molarweight": 104.084, - "model_record": { - "m": 3.54908, - "sigma": 3.53176, - "epsilon_k": 227.1587, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "3426-89-9", - "name": "phenyldichlorophosphite", - "iupac_name": "dichloro(phenoxy)phosphane", - "smiles": "ClP(Cl)Oc1ccccc1", - "inchi": "InChI=1S/C6H5Cl2OP/c7-10(8)9-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 193.946, - "model_record": { - "m": 4.78249, - "sigma": 3.47877, - "epsilon_k": 268.65708, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "56-18-8", - "name": "bis(3-aminopropyl)amine", - "iupac_name": "n'-(3-aminopropyl)propane-1,3-diamine", - "smiles": "NCCCNCCCN", - "inchi": "InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2" - }, - "molarweight": 131.142, - "model_record": { - "m": 2.27446, - "sigma": 4.5, - "epsilon_k": 50.0, - "kappa_ab": 0.05812, - "epsilon_k_ab": 2392.33892, - "na": 3.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "80-10-4", - "name": "dichlorodiphenylsilane", - "iupac_name": "dichloro(diphenyl)silane", - "smiles": "Cl[Si](Cl)(c1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C12H10Cl2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 251.993, - "model_record": { - "m": 4.89593, - "sigma": 3.93899, - "epsilon_k": 311.46875, - "mu": 2.58 - } - }, - { - "identifier": { - "cas": "57160-72-2", - "name": "5-methylnonadecane", - "iupac_name": "5-methylnonadecane", - "smiles": "CCCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C20H42/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-20(3)18-7-5-2/h20H,4-19H2,1-3H3" - }, - "molarweight": 282.329, - "model_record": { - "m": 7.77179, - "sigma": 4.0131, - "epsilon_k": 257.50315 - } - }, - { - "identifier": { - "cas": "60-01-5", - "name": "butanoic acid-1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(butanoyloxy)propyl butanoate", - "smiles": "CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC", - "inchi": "InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3" - }, - "molarweight": 302.173, - "model_record": { - "m": 9.53809, - "sigma": 3.47201, - "epsilon_k": 231.64577, - "nb": 6.0 - } - }, - { - "identifier": { - "cas": "33021-02-2", - "name": "2-methyl-1-tert-butoxypropane", - "iupac_name": "2-methyl-1-[(2-methylpropan-2-yl)oxy]propane", - "smiles": "CC(C)COC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 4.26695, - "sigma": 3.73476, - "epsilon_k": 220.20777, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "molarweight": 200.007, - "model_record": { - "m": 3.83547, - "sigma": 3.52157, - "epsilon_k": 186.33573, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2730-62-3", - "name": "2-chloro-3,3,3-trifluoropropene", - "iupac_name": "2-chloro-3,3,3-trifluoroprop-1-ene", - "smiles": "C=C(Cl)C(F)(F)F", - "inchi": "InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2" - }, - "molarweight": 129.98, - "model_record": { - "m": 2.6848, - "sigma": 3.59069, - "epsilon_k": 215.10285 - } - }, - { - "identifier": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "molarweight": 56.063, - "model_record": { - "m": 1.9712, - "sigma": 3.84602, - "epsilon_k": 240.79304 - } - }, - { - "identifier": { - "cas": "513-86-0", - "name": "3-hydroxy-2-butanone", - "iupac_name": "3-hydroxybutan-2-one", - "smiles": "CC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3" - }, - "molarweight": 88.052, - "model_record": { - "m": 1.86561, - "sigma": 4.12089, - "epsilon_k": 389.8993, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2989.63941, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1719-53-5", - "name": "dichlorodiethylsilane", - "iupac_name": "dichloro(diethyl)silane", - "smiles": "CC[Si](Cl)(Cl)CC", - "inchi": "InChI=1S/C4H10Cl2Si/c1-3-7(5,6)4-2/h3-4H2,1-2H3" - }, - "molarweight": 155.993, - "model_record": { - "m": 3.32894, - "sigma": 3.90791, - "epsilon_k": 264.23698, - "mu": 2.39 - } - }, - { - "identifier": { - "cas": "919-31-3", - "name": "2-cyanoethyltriethoxysilane", - "iupac_name": "3-triethoxysilylpropanenitrile", - "smiles": "CCO[Si](CCC#N)(OCC)OCC", - "inchi": "InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3" - }, - "molarweight": 217.113, - "model_record": { - "m": 5.87162, - "sigma": 3.73661, - "epsilon_k": 250.22479, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "628-17-1", - "name": "1-iodopentane", - "iupac_name": "1-iodopentane", - "smiles": "CCCCCI", - "inchi": "InChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "molarweight": 197.991, - "model_record": { - "m": 3.58322, - "sigma": 3.6715, - "epsilon_k": 275.06121 - } - }, - { - "identifier": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "molarweight": 72.058, - "model_record": { - "m": 2.98582, - "sigma": 3.39936, - "epsilon_k": 235.58738, - "mu": 3.3, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "564-02-3", - "name": "2,2,3-trimethylpentane", - "iupac_name": "2,2,3-trimethylpentane", - "smiles": "CCC(C)C(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.07212, - "sigma": 4.0839, - "epsilon_k": 261.52779 - } - }, - { - "identifier": { - "cas": "108-82-7", - "name": "2,6-dimethyl-4-heptanol", - "iupac_name": "2,6-dimethylheptan-4-ol", - "smiles": "CC(C)CC(O)CC(C)C", - "inchi": "InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3" - }, - "molarweight": 144.151, - "model_record": { - "m": 2.77168, - "sigma": 4.5, - "epsilon_k": 279.91148, - "kappa_ab": 0.00178, - "epsilon_k_ab": 3475.76808, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "77-47-4", - "name": "perchlorocyclopentadiene", - "iupac_name": "1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene", - "smiles": "ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl", - "inchi": "InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8" - }, - "molarweight": 269.813, - "model_record": { - "m": 4.23003, - "sigma": 3.75166, - "epsilon_k": 300.98394, - "mu": 1.05 - } - }, - { - "identifier": { - "cas": "107-41-5", - "name": "2-methyl-2,4-pentanediol", - "iupac_name": "2-methylpentane-2,4-diol", - "smiles": "CC(O)CC(C)(C)O", - "inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" - }, - "molarweight": 118.099, - "model_record": { - "m": 2.13221, - "sigma": 4.5, - "epsilon_k": 295.2972, - "kappa_ab": 0.01088, - "epsilon_k_ab": 2328.21468, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "620-17-7", - "name": "3-ethylphenol", - "iupac_name": "3-ethylphenol", - "smiles": "CCc1cccc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3" - }, - "molarweight": 122.073, - "model_record": { - "m": 3.98587, - "sigma": 3.51879, - "epsilon_k": 293.91226, - "kappa_ab": 0.03197, - "epsilon_k_ab": 1678.33653, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "molarweight": 296.075, - "model_record": { - "m": 6.09764, - "sigma": 4.02937, - "epsilon_k": 207.93704, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "307-99-3", - "name": "1h,8h-perfluorooctane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane", - "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F", - "inchi": "InChI=1S/C8H2F16/c9-1(10)3(13,14)5(17,18)7(21,22)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H" - }, - "molarweight": 401.99, - "model_record": { - "m": 5.44332, - "sigma": 3.76792, - "epsilon_k": 202.8528 - } - }, - { - "identifier": { - "cas": "1814-88-6", - "name": "1,1,1,2,2-pentafluoropropane", - "iupac_name": "1,1,1,2,2-pentafluoropropane", - "smiles": "CC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3" - }, - "molarweight": 134.015, - "model_record": { - "m": 3.1076, - "sigma": 3.39587, - "epsilon_k": 175.68124 - } - }, - { - "identifier": { - "cas": "95-73-8", - "name": "2,4-dichlorotoluene", - "iupac_name": "2,4-dichloro-1-methylbenzene", - "smiles": "Cc1ccc(Cl)cc1Cl", - "inchi": "InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3" - }, - "molarweight": 159.985, - "model_record": { - "m": 3.36682, - "sigma": 3.77313, - "epsilon_k": 317.46767, - "mu": 1.95 - } - }, - { - "identifier": { - "cas": "6418-47-9", - "name": "3-methylheneicosane", - "iupac_name": "3-methylhenicosane", - "smiles": "CCCCCCCCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h22H,4-21H2,1-3H3" - }, - "molarweight": 310.36, - "model_record": { - "m": 9.17236, - "sigma": 3.90739, - "epsilon_k": 249.07771 - } - }, - { - "identifier": { - "cas": "124-12-9", - "name": "octanenitrile", - "iupac_name": "octanenitrile", - "smiles": "CCCCCCCC#N", - "inchi": "InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3" - }, - "molarweight": 125.12, - "model_record": { - "m": 4.07552, - "sigma": 3.74611, - "epsilon_k": 286.94506, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2216-51-5", - "name": "(1r,2s,5r)-(-)-2-isopropyl-5-methyl-cyclohexanol", - "iupac_name": "(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexan-1-ol", - "smiles": "CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O", - "inchi": "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1" - }, - "molarweight": 156.151, - "model_record": { - "m": 3.80053, - "sigma": 4.03284, - "epsilon_k": 294.34588, - "kappa_ab": 0.00178, - "epsilon_k_ab": 2640.49485, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7783-66-6", - "name": "iodine fluoride ", - "iupac_name": "pentafluoro-lambda5-iodane", - "smiles": "FI(F)(F)(F)F", - "inchi": "InChI=1S/F5I/c1-6(2,3,4)5" - }, - "molarweight": 221.896, - "model_record": { - "m": 4.47908, - "sigma": 2.71264, - "epsilon_k": 224.82944 - } - }, - { - "identifier": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "molarweight": 46.005, - "model_record": { - "m": 1.83695, - "sigma": 2.97665, - "epsilon_k": 191.73238, - "kappa_ab": 0.60493, - "epsilon_k_ab": 2287.69614, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-27-4", - "name": "isoamyl butyrate", - "iupac_name": "3-methylbutyl butanoate", - "smiles": "CCCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3" - }, - "molarweight": 158.131, - "model_record": { - "m": 4.32649, - "sigma": 3.86864, - "epsilon_k": 257.58553, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1191-87-3", - "name": "penta ethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOCCOC", - "inchi": "InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3" - }, - "molarweight": 266.173, - "model_record": { - "m": 4.49672, - "sigma": 4.39623, - "epsilon_k": 342.24329, - "nb": 6.0 - } - }, - { - "identifier": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "molarweight": 56.026, - "model_record": { - "m": 1.41083, - "sigma": 3.946, - "epsilon_k": 453.72285, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2544.80628, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "625-50-3", - "name": "n-ethylacetamide", - "iupac_name": "n-ethylacetamide", - "smiles": "CCN=C(C)O", - "inchi": "InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)" - }, - "molarweight": 87.068, - "model_record": { - "m": 1.579, - "sigma": 4.5, - "epsilon_k": 475.98222, - "kappa_ab": 0.00116, - "epsilon_k_ab": 3078.16009, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "611-32-5", - "name": "8-methylquinoline", - "iupac_name": "8-methylquinoline", - "smiles": "Cc1cccc2cccnc12", - "inchi": "InChI=1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3" - }, - "molarweight": 143.073, - "model_record": { - "m": 3.4651, - "sigma": 3.81371, - "epsilon_k": 346.42185, - "mu": 1.86, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "5419-55-6", - "name": "boric acid, triisopropyl ester", - "iupac_name": "tripropan-2-yl borate", - "smiles": "CC(C)OB(OC(C)C)OC(C)C", - "inchi": "InChI=1S/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3" - }, - "molarweight": 188.158, - "model_record": { - "m": 5.27377, - "sigma": 3.83198, - "epsilon_k": 208.51683, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 146.034, - "model_record": { - "m": 3.52315, - "sigma": 3.62229, - "epsilon_k": 237.17303, - "mu": 2.86 - } - }, - { - "identifier": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "molarweight": 86.037, - "model_record": { - "m": 3.93398, - "sigma": 3.12103, - "epsilon_k": 274.19259, - "kappa_ab": 0.00047, - "epsilon_k_ab": 2643.83687, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "123-76-2", - "name": "levulinic acid", - "iupac_name": "4-oxopentanoic acid", - "smiles": "CC(=O)CCC(=O)O", - "inchi": "InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)" - }, - "molarweight": 116.047, - "model_record": { - "m": 1.6668, - "sigma": 4.5, - "epsilon_k": 365.82606, - "kappa_ab": 0.00044, - "epsilon_k_ab": 5000.0, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "molarweight": 98.019, - "model_record": { - "m": 2.74453, - "sigma": 3.6238, - "epsilon_k": 296.88179, - "mu": 0.82, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "molarweight": 92.047, - "model_record": { - "m": 1.77398, - "sigma": 4.12228, - "epsilon_k": 408.59876, - "kappa_ab": 0.01123, - "epsilon_k_ab": 2063.85002, - "na": 3.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "6418-45-7", - "name": "3-methylnonadecane", - "iupac_name": "3-methylnonadecane", - "smiles": "CCCCCCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h20H,4-19H2,1-3H3" - }, - "molarweight": 282.329, - "model_record": { - "m": 8.11607, - "sigma": 3.95237, - "epsilon_k": 253.11292 - } - }, - { - "identifier": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "molarweight": 61.016, - "model_record": { - "m": 2.60897, - "sigma": 3.05296, - "epsilon_k": 251.16461, - "mu": 3.46, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "21460-36-6", - "name": "1,2-propylene glycol 1-allyl ether", - "iupac_name": "1-prop-2-enoxypropan-2-ol", - "smiles": "C=CCOCC(C)O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-8-5-6(2)7/h3,6-7H,1,4-5H2,2H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 1.99316, - "sigma": 4.5, - "epsilon_k": 357.15401, - "kappa_ab": 0.00313, - "epsilon_k_ab": 2114.14462, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "molarweight": 228.209, - "model_record": { - "m": 4.85659, - "sigma": 4.2871, - "epsilon_k": 301.53096, - "kappa_ab": 0.00229, - "epsilon_k_ab": 4019.06681, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-43-4", - "name": "p-chlorotoluene", - "iupac_name": "1-chloro-4-methylbenzene", - "smiles": "Cc1ccc(Cl)cc1", - "inchi": "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "molarweight": 126.024, - "model_record": { - "m": 2.99979, - "sigma": 3.79367, - "epsilon_k": 310.00326, - "mu": 2.21 - } - }, - { - "identifier": { - "cas": "92-94-4", - "name": "p-terphenyl", - "iupac_name": "1,4-diphenylbenzene", - "smiles": "c1ccc(-c2ccc(-c3ccccc3)cc2)cc1", - "inchi": "InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H" - }, - "molarweight": 230.11, - "model_record": { - "m": 5.79208, - "sigma": 3.75448, - "epsilon_k": 329.83425 - } - }, - { - "identifier": { - "cas": "1636-39-1", - "name": "bicyclopentyl", - "iupac_name": "cyclopentylcyclopentane", - "smiles": "C1CCC(C2CCCC2)C1", - "inchi": "InChI=1S/C10H18/c1-2-6-9(5-1)10-7-3-4-8-10/h9-10H,1-8H2" - }, - "molarweight": 138.141, - "model_record": { - "m": 3.59902, - "sigma": 3.93725, - "epsilon_k": 294.52487 - } - }, - { - "identifier": { - "cas": "623-21-2", - "name": "furfuryl butyrate", - "iupac_name": "furan-2-ylmethyl butanoate", - "smiles": "CCCC(=O)OCc1ccco1", - "inchi": "InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3" - }, - "molarweight": 168.079, - "model_record": { - "m": 5.24124, - "sigma": 3.47618, - "epsilon_k": 256.19166, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "molarweight": 169.997, - "model_record": { - "m": 3.53879, - "sigma": 3.30922, - "epsilon_k": 162.80876, - "mu": 1.46 - } - }, - { - "identifier": { - "cas": "594-44-5", - "name": "ethanesulfonylchloride", - "iupac_name": "ethanesulfonyl chloride", - "smiles": "CCS(=O)(=O)Cl", - "inchi": "InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3" - }, - "molarweight": 127.97, - "model_record": { - "m": 3.1689, - "sigma": 3.47702, - "epsilon_k": 296.13297, - "mu": 3.9, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "102-76-1", - "name": "1,2,3-propanetriol-triacetate", - "iupac_name": "2,3-diacetyloxypropyl acetate", - "smiles": "CC(=O)OCC(COC(C)=O)OC(C)=O", - "inchi": "InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3" - }, - "molarweight": 218.079, - "model_record": { - "m": 7.8274, - "sigma": 3.20052, - "epsilon_k": 234.44781, - "mu": 2.61, - "nb": 6.0 - } - }, - { - "identifier": { - "cas": "16647-05-5", - "name": "6,10-dimethyl-4,5,9-undecatrien-2-one", - "iupac_name": "6,10-dimethylundeca-4,5,9-trien-2-one", - "smiles": "CC(=O)CC=C=C(C)CCC=C(C)C", - "inchi": "InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7H,5,8,10H2,1-4H3" - }, - "molarweight": 192.151, - "model_record": { - "m": 6.97965, - "sigma": 3.49178, - "epsilon_k": 236.66611, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2473-01-0", - "name": "1-nonylchloride", - "iupac_name": "1-chlorononane", - "smiles": "CCCCCCCCCCl", - "inchi": "InChI=1S/C9H19Cl/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3" - }, - "molarweight": 162.118, - "model_record": { - "m": 4.72337, - "sigma": 3.77936, - "epsilon_k": 261.49566 - } - }, - { - "identifier": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "molarweight": 100.052, - "model_record": { - "m": 3.69601, - "sigma": 3.37428, - "epsilon_k": 236.25236, - "mu": 1.73, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "molarweight": 113.946, - "model_record": { - "m": 2.67676, - "sigma": 3.63458, - "epsilon_k": 235.40474, - "mu": 1.91 - } - }, - { - "identifier": { - "cas": "140-31-8", - "name": "n-(2-aminoethyl)piperazine", - "iupac_name": "2-piperazin-1-ylethanamine", - "smiles": "NCCN1CCNCC1", - "inchi": "InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2" - }, - "molarweight": 129.127, - "model_record": { - "m": 2.215, - "sigma": 4.5, - "epsilon_k": 406.06335, - "kappa_ab": 0.00157, - "epsilon_k_ab": 1767.6496, - "na": 2.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "molarweight": 28.031, - "model_record": { - "m": 1.59196, - "sigma": 3.40769, - "epsilon_k": 177.32571 - } - }, - { - "identifier": { - "cas": "103-79-7", - "name": "phenylacetone", - "iupac_name": "1-phenylpropan-2-one", - "smiles": "CC(=O)Cc1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "molarweight": 134.073, - "model_record": { - "m": 5.50912, - "sigma": 3.21836, - "epsilon_k": 254.93848, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "25117-28-6", - "name": "4-methyleicosane", - "iupac_name": "4-methylicosane", - "smiles": "CCCCCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C21H44/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-5-2/h21H,4-20H2,1-3H3" - }, - "molarweight": 296.344, - "model_record": { - "m": 7.85485, - "sigma": 4.0648, - "epsilon_k": 260.8299 - } - }, - { - "identifier": { - "cas": "109-76-2", - "name": "1,3-diaminopropane", - "iupac_name": "propane-1,3-diamine", - "smiles": "NCCCN", - "inchi": "InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2" - }, - "molarweight": 74.084, - "model_record": { - "m": 1.92787, - "sigma": 4.0231, - "epsilon_k": 342.73325, - "kappa_ab": 0.01469, - "epsilon_k_ab": 1317.29182, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "79-05-0", - "name": "propionamide", - "iupac_name": "propanamide", - "smiles": "CCC(=N)O", - "inchi": "InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)" - }, - "molarweight": 73.053, - "model_record": { - "m": 1.66325, - "sigma": 4.09579, - "epsilon_k": 488.99767, - "kappa_ab": 0.00095, - "epsilon_k_ab": 2913.43965, - "na": 2.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "molarweight": 148.031, - "model_record": { - "m": 4.03959, - "sigma": 3.25784, - "epsilon_k": 189.37775 - } - }, - { - "identifier": { - "cas": "10025-78-2", - "name": "trichlorosilane", - "iupac_name": "trichlorosilane", - "smiles": "Cl[SiH](Cl)Cl", - "inchi": "InChI=1S/Cl3HSi/c1-4(2)3/h4H" - }, - "molarweight": 133.891, - "model_record": { - "m": 2.30746, - "sigma": 3.78481, - "epsilon_k": 252.51531, - "mu": 0.86 - } - }, - { - "identifier": { - "cas": "6674-22-2", - "name": "1,5-diazabicyclo[5.4.0]undec-5-ene", - "iupac_name": "2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine", - "smiles": "C1CCC2=NCCCN2CC1", - "inchi": "InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2" - }, - "molarweight": 152.131, - "model_record": { - "m": 4.69375, - "sigma": 3.55769, - "epsilon_k": 297.33743, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "590-66-9", - "name": "1,1-dimethylcyclohexane", - "iupac_name": "1,1-dimethylcyclohexane", - "smiles": "CC1(C)CCCCC1", - "inchi": "InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.11858, - "sigma": 3.9447, - "epsilon_k": 268.76032 - } - }, - { - "identifier": { - "cas": "626-62-0", - "name": "iodocyclohexane", - "iupac_name": "iodocyclohexane", - "smiles": "IC1CCCCC1", - "inchi": "InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "molarweight": 209.991, - "model_record": { - "m": 2.77681, - "sigma": 4.04025, - "epsilon_k": 347.60097 - } - }, - { - "identifier": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "molarweight": 152.05, - "model_record": { - "m": 4.43972, - "sigma": 3.51205, - "epsilon_k": 223.43421, - "mu": 1.74, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "molarweight": 150.068, - "model_record": { - "m": 4.76429, - "sigma": 3.46175, - "epsilon_k": 272.27961, - "mu": 1.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "143-10-2", - "name": "1-decanethiol", - "iupac_name": "decane-1-thiol", - "smiles": "CCCCCCCCCCS", - "inchi": "InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "molarweight": 174.144, - "model_record": { - "m": 4.18634, - "sigma": 4.14231, - "epsilon_k": 291.44017, - "kappa_ab": 0.0067, - "epsilon_k_ab": 1959.97515, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "molarweight": 152.047, - "model_record": { - "m": 2.91537, - "sigma": 4.03097, - "epsilon_k": 349.79274, - "kappa_ab": 0.01157, - "epsilon_k_ab": 1311.30975, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.147, - "sigma": 3.69438, - "epsilon_k": 308.94165, - "mu": 2.6, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "594-56-9", - "name": "2,3,3-trimethyl-1-butene", - "iupac_name": "2,3,3-trimethylbut-1-ene", - "smiles": "C=C(C)C(C)(C)C", - "inchi": "InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.72459, - "sigma": 4.04277, - "epsilon_k": 258.13756 - } - }, - { - "identifier": { - "cas": "294-62-2", - "name": "cyclododecane", - "iupac_name": "cyclododecane", - "smiles": "C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" - }, - "molarweight": 168.188, - "model_record": { - "m": 3.75613, - "sigma": 4.19045, - "epsilon_k": 317.64824 - } - }, - { - "identifier": { - "cas": "25117-33-3", - "name": "5-methylpentadecane", - "iupac_name": "5-methylpentadecane", - "smiles": "CCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C16H34/c1-4-6-8-9-10-11-12-13-15-16(3)14-7-5-2/h16H,4-15H2,1-3H3" - }, - "molarweight": 226.266, - "model_record": { - "m": 6.88908, - "sigma": 3.88269, - "epsilon_k": 245.99898 - } - }, - { - "identifier": { - "cas": "100-40-3", - "name": "4-ethenylcyclohexene", - "iupac_name": "4-ethenylcyclohexene", - "smiles": "C=CC1CC=CCC1", - "inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2" - }, - "molarweight": 108.094, - "model_record": { - "m": 2.94019, - "sigma": 3.91368, - "epsilon_k": 287.72379 - } - }, - { - "identifier": { - "cas": "7438-05-3", - "name": "azidooctane", - "iupac_name": "1-azidooctane", - "smiles": "CCCCCCCCN=[N+]=[N-]", - "inchi": "InChI=1S/C8H17N3/c1-2-3-4-5-6-7-8-10-11-9/h2-8H2,1H3" - }, - "molarweight": 155.142, - "model_record": { - "m": 5.27651, - "sigma": 3.58766, - "epsilon_k": 243.84868, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "molarweight": 114.104, - "model_record": { - "m": 3.98679, - "sigma": 3.62233, - "epsilon_k": 254.80798, - "mu": 2.59, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "90-11-9", - "name": "1-bromonaphthalene", - "iupac_name": "1-bromonaphthalene", - "smiles": "Brc1cccc2ccccc12", - "inchi": "InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "molarweight": 205.973, - "model_record": { - "m": 3.4325, - "sigma": 3.89799, - "epsilon_k": 369.78605, - "mu": 1.29 - } - }, - { - "identifier": { - "cas": "110-73-6", - "name": "mono-ethyl-ethanolamine", - "iupac_name": "2-(ethylamino)ethanol", - "smiles": "CCNCCO", - "inchi": "InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3" - }, - "molarweight": 89.084, - "model_record": { - "m": 1.65728, - "sigma": 4.5, - "epsilon_k": 390.84346, - "kappa_ab": 0.0064, - "epsilon_k_ab": 1805.53448, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2801-87-8", - "name": "4-methylpentadecane", - "iupac_name": "4-methylpentadecane", - "smiles": "CCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-15-16(3)14-5-2/h16H,4-15H2,1-3H3" - }, - "molarweight": 226.266, - "model_record": { - "m": 6.32064, - "sigma": 4.00597, - "epsilon_k": 256.98956 - } - }, - { - "identifier": { - "cas": "136-60-7", - "name": "butyl benzoate", - "iupac_name": "butyl benzoate", - "smiles": "CCCCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3" - }, - "molarweight": 178.099, - "model_record": { - "m": 4.94338, - "sigma": 3.69356, - "epsilon_k": 282.43251, - "mu": 1.81, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "696-29-7", - "name": "isopropylcyclohexane", - "iupac_name": "propan-2-ylcyclohexane", - "smiles": "CC(C)C1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 126.141, - "model_record": { - "m": 3.18876, - "sigma": 4.06823, - "epsilon_k": 288.91527 - } - }, - { - "identifier": { - "cas": "683-73-8", - "name": "ethylene-d4", - "iupac_name": "1,1,2,2-tetradeuterioethene", - "smiles": "[2H]C([2H])=C([2H])[2H]", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2/i1D2,2D2" - }, - "molarweight": 28.031, - "model_record": { - "m": 1.56426, - "sigma": 3.27813, - "epsilon_k": 180.9977 - } - }, - { - "identifier": { - "cas": "629-20-9", - "name": "1,3,5,7-cyclooctatetraene", - "iupac_name": "cyclooctatetraene", - "smiles": "C1=C\\C=C/C=C\\C=C/1", - "inchi": "InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-" - }, - "molarweight": 104.063, - "model_record": { - "m": 2.99872, - "sigma": 3.72542, - "epsilon_k": 297.47748 - } - }, - { - "identifier": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "molarweight": 135.989, - "model_record": { - "m": 2.87587, - "sigma": 3.67482, - "epsilon_k": 271.7951, - "mu": 2.08 - } - }, - { - "identifier": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "molarweight": 92.039, - "model_record": { - "m": 2.5634, - "sigma": 3.74811, - "epsilon_k": 263.48813, - "mu": 2.0 - } - }, - { - "identifier": { - "cas": "75-66-1", - "name": "2-methyl-2-propanethiol", - "iupac_name": "2-methylpropane-2-thiol", - "smiles": "CC(C)(C)S", - "inchi": "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" - }, - "molarweight": 90.05, - "model_record": { - "m": 2.43255, - "sigma": 3.92458, - "epsilon_k": 267.04789, - "kappa_ab": 0.00653, - "epsilon_k_ab": 873.43796, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "57018-52-7", - "name": "1-tert-butoxy-2-propanol", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]propan-2-ol", - "smiles": "CC(O)COC(C)(C)C", - "inchi": "InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3" - }, - "molarweight": 132.115, - "model_record": { - "m": 3.97465, - "sigma": 3.74381, - "epsilon_k": 250.94794, - "kappa_ab": 0.00277, - "epsilon_k_ab": 1753.34913, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "molarweight": 45.021, - "model_record": { - "m": 1.40781, - "sigma": 3.53996, - "epsilon_k": 550.0, - "kappa_ab": 0.00647, - "epsilon_k_ab": 2132.37665, - "na": 2.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "536-75-4", - "name": "4-ethylpyridine", - "iupac_name": "4-ethylpyridine", - "smiles": "CCc1ccncc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.28879, - "sigma": 3.63385, - "epsilon_k": 298.3009, - "mu": 2.45, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "61868-09-5", - "name": "2,4-dimethylheptadecane", - "smiles": "CCCCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C19H40/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(4)17-18(2)3/h18-19H,5-17H2,1-4H3" - }, - "molarweight": 268.313, - "model_record": { - "m": 10.00525, - "sigma": 3.59198, - "epsilon_k": 220.71919 - } - }, - { - "identifier": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "molarweight": 68.063, - "model_record": { - "m": 2.46382, - "sigma": 3.70372, - "epsilon_k": 245.06739 - } - }, - { - "identifier": { - "cas": "616-21-7", - "name": "1,2-dichlorobutane", - "iupac_name": "1,2-dichlorobutane", - "smiles": "CCC(Cl)CCl", - "inchi": "InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3" - }, - "molarweight": 126.0, - "model_record": { - "m": 2.87411, - "sigma": 3.76535, - "epsilon_k": 291.44147 - } - }, - { - "identifier": { - "cas": "7647-01-0", - "name": "hydrogen chloride", - "iupac_name": "chlorane", - "smiles": "Cl", - "inchi": "InChI=1S/ClH/h1H" - }, - "molarweight": 35.977, - "model_record": { - "m": 1.59258, - "sigma": 2.93292, - "epsilon_k": 198.75943, - "mu": 1.08 - } - }, - { - "identifier": { - "cas": "1571-08-0", - "name": "terephthalaldehydic acid methyl ester", - "iupac_name": "methyl 4-formylbenzoate", - "smiles": "COC(=O)c1ccc(C=O)cc1", - "inchi": "InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3" - }, - "molarweight": 164.047, - "model_record": { - "m": 4.83835, - "sigma": 3.42934, - "epsilon_k": 301.80829, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "18435-22-8", - "name": "3-methyltetradecane", - "iupac_name": "3-methyltetradecane", - "smiles": "CCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h15H,4-14H2,1-3H3" - }, - "molarweight": 212.25, - "model_record": { - "m": 6.21121, - "sigma": 3.94377, - "epsilon_k": 253.47584 - } - }, - { - "identifier": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "molarweight": 116.084, - "model_record": { - "m": 5.20044, - "sigma": 3.23829, - "epsilon_k": 251.70798, - "kappa_ab": 0.00335, - "epsilon_k_ab": 2688.84534, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "molarweight": 422.485, - "model_record": { - "m": 10.56751, - "sigma": 4.14394, - "epsilon_k": 254.15269 - } - }, - { - "identifier": { - "cas": "311-89-7", - "name": "perfluorotributylamine", - "iupac_name": "1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33" - }, - "molarweight": 670.96, - "model_record": { - "m": 7.8785, - "sigma": 3.81305, - "epsilon_k": 186.54834, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "molarweight": 88.052, - "model_record": { - "m": 2.98846, - "sigma": 3.36587, - "epsilon_k": 275.40864, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "molarweight": 54.047, - "model_record": { - "m": 2.23776, - "sigma": 3.58327, - "epsilon_k": 228.30251 - } - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "molarweight": 212.25, - "model_record": { - "m": 6.50721, - "sigma": 3.79059, - "epsilon_k": 251.06259 - } - }, - { - "identifier": { - "cas": "84-15-1", - "name": "o-terphenyl", - "iupac_name": "1,2-diphenylbenzene", - "smiles": "c1ccc(-c2ccccc2-c2ccccc2)cc1", - "inchi": "InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H" - }, - "molarweight": 230.11, - "model_record": { - "m": 5.41044, - "sigma": 3.84384, - "epsilon_k": 314.70269 - } - }, - { - "identifier": { - "cas": "592-88-1", - "name": "allyl sulfide", - "iupac_name": "3-prop-2-enylsulfanylprop-1-ene", - "smiles": "C=CCSCC=C", - "inchi": "InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2" - }, - "molarweight": 114.05, - "model_record": { - "m": 2.70319, - "sigma": 4.02518, - "epsilon_k": 310.67398, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "100-02-7", - "name": "p-nitrophenol", - "iupac_name": "4-nitrophenol", - "smiles": "O=[N+]([O-])c1ccc(O)cc1", - "inchi": "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H" - }, - "molarweight": 139.027, - "model_record": { - "m": 3.07023, - "sigma": 3.55686, - "epsilon_k": 234.17806, - "kappa_ab": 0.00976, - "epsilon_k_ab": 4999.99705, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "molarweight": 59.967, - "model_record": { - "m": 1.68894, - "sigma": 3.40406, - "epsilon_k": 229.75012, - "mu": 0.712, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "61868-04-0", - "name": "2,3-dimethyloctadecane", - "iupac_name": "2,3-dimethyloctadecane", - "smiles": "CCCCCCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C20H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4)19(2)3/h19-20H,5-18H2,1-4H3" - }, - "molarweight": 282.329, - "model_record": { - "m": 6.63374, - "sigma": 4.24123, - "epsilon_k": 275.99108 - } - }, - { - "identifier": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "molarweight": 100.052, - "model_record": { - "m": 3.15191, - "sigma": 3.51901, - "epsilon_k": 313.26422, - "mu": 4.3, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "18172-67-3", - "name": "(-)-beta-pinene", - "iupac_name": "(1s,5s)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CC[C@H]2C[C@@H]1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.26959, - "sigma": 4.04708, - "epsilon_k": 292.21145 - } - }, - { - "identifier": { - "cas": "10061-02-6", - "name": "trans-1,3-dichloro-1-propene", - "iupac_name": "(e)-1,3-dichloroprop-1-ene", - "smiles": "Cl/C=C/CCl", - "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+" - }, - "molarweight": 109.969, - "model_record": { - "m": 2.87975, - "sigma": 3.48819, - "epsilon_k": 285.67713, - "mu": 1.81 - } - }, - { - "identifier": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "molarweight": 126.024, - "model_record": { - "m": 3.10904, - "sigma": 3.72881, - "epsilon_k": 303.97836, - "mu": 1.56 - } - }, - { - "identifier": { - "cas": "2473-03-2", - "name": "1-chloroundecane", - "iupac_name": "1-chloroundecane", - "smiles": "CCCCCCCCCCCCl", - "inchi": "InChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3" - }, - "molarweight": 190.149, - "model_record": { - "m": 5.30935, - "sigma": 3.85365, - "epsilon_k": 265.65126 - } - }, - { - "identifier": { - "cas": "7581-97-7", - "name": "2,3-dichlorobutane", - "iupac_name": "2,3-dichlorobutane", - "smiles": "CC(Cl)C(C)Cl", - "inchi": "InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3" - }, - "molarweight": 126.0, - "model_record": { - "m": 2.94526, - "sigma": 3.72785, - "epsilon_k": 282.71327 - } - }, - { - "identifier": { - "cas": "17851-27-3", - "name": "1-ethyl-2,4,5-trimethylbenzene", - "iupac_name": "1-ethyl-2,4,5-trimethylbenzene", - "smiles": "CCc1cc(C)c(C)cc1C", - "inchi": "InChI=1S/C11H16/c1-5-11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3" - }, - "molarweight": 148.125, - "model_record": { - "m": 4.34919, - "sigma": 3.77356, - "epsilon_k": 278.84524 - } - }, - { - "identifier": { - "cas": "99-85-4", - "name": ".gamma.-terpinene", - "iupac_name": "1-methyl-4-propan-2-ylcyclohexa-1,4-diene", - "smiles": "CC1=CCC(C(C)C)=CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.88518, - "sigma": 3.8439, - "epsilon_k": 278.02059 - } - }, - { - "identifier": { - "cas": "2409-55-4", - "name": "2-tert-butyl-4-methylphenol", - "iupac_name": "2-tert-butyl-4-methylphenol", - "smiles": "Cc1ccc(O)c(C(C)(C)C)c1", - "inchi": "InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3" - }, - "molarweight": 164.12, - "model_record": { - "m": 3.12047, - "sigma": 4.24592, - "epsilon_k": 257.88316, - "kappa_ab": 0.05893, - "epsilon_k_ab": 3149.81981, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "molarweight": 56.063, - "model_record": { - "m": 2.17683, - "sigma": 3.70792, - "epsilon_k": 227.5538 - } - }, - { - "identifier": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "molarweight": 120.0, - "model_record": { - "m": 3.07064, - "sigma": 3.13545, - "epsilon_k": 154.7744, - "mu": 1.54 - } - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "smiles": "N#N", - "inchi": "InChI=1S/N2/c1-2" - }, - "molarweight": 28.006, - "model_record": { - "m": 1.23831, - "sigma": 3.30009, - "epsilon_k": 89.41358, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "molarweight": 54.047, - "model_record": { - "m": 2.44696, - "sigma": 3.42159, - "epsilon_k": 246.06782 - } - }, - { - "identifier": { - "cas": "871-22-7", - "name": "acetaldehyde dibutyl acetal", - "iupac_name": "1-(1-butoxyethoxy)butane", - "smiles": "CCCCOC(C)OCCCC", - "inchi": "InChI=1S/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3" - }, - "molarweight": 174.162, - "model_record": { - "m": 5.26343, - "sigma": 3.76342, - "epsilon_k": 236.9153, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 4.41997, - "sigma": 3.3789, - "epsilon_k": 223.2349, - "kappa_ab": 0.00837, - "epsilon_k_ab": 2125.5966, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "91-63-4", - "name": "quinaldine", - "iupac_name": "2-methylquinoline", - "smiles": "Cc1ccc2ccccc2n1", - "inchi": "InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3" - }, - "molarweight": 143.073, - "model_record": { - "m": 3.57024, - "sigma": 3.79149, - "epsilon_k": 340.15723, - "mu": 1.94, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 154.078, - "model_record": { - "m": 3.96136, - "sigma": 3.77757, - "epsilon_k": 324.59821 - } - }, - { - "identifier": { - "cas": "2801-84-5", - "name": "2,4-dimethyldecane", - "iupac_name": "2,4-dimethyldecane", - "smiles": "CCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C12H26/c1-5-6-7-8-9-12(4)10-11(2)3/h11-12H,5-10H2,1-4H3" - }, - "molarweight": 170.203, - "model_record": { - "m": 4.70938, - "sigma": 4.03618, - "epsilon_k": 254.47587 - } - }, - { - "identifier": { - "cas": "4109-96-0", - "name": "dichlorosilane", - "iupac_name": "dichlorosilane", - "smiles": "Cl[SiH2]Cl", - "inchi": "InChI=1S/Cl2H2Si/c1-3-2/h3H2" - }, - "molarweight": 99.93, - "model_record": { - "m": 2.18288, - "sigma": 3.61809, - "epsilon_k": 242.08006, - "mu": 1.17 - } - }, - { - "identifier": { - "cas": "600-24-8", - "name": "2-nitrobutane", - "iupac_name": "2-nitrobutane", - "smiles": "CCC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3" - }, - "molarweight": 103.063, - "model_record": { - "m": 3.19131, - "sigma": 3.57479, - "epsilon_k": 288.14137, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "423-55-2", - "name": "perfluorooctyl bromide", - "iupac_name": "1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br", - "inchi": "InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26" - }, - "molarweight": 497.891, - "model_record": { - "m": 5.67735, - "sigma": 3.87503, - "epsilon_k": 201.04478 - } - }, - { - "identifier": { - "cas": "823-76-7", - "name": "methylcyclohexylketone", - "iupac_name": "1-cyclohexylethanone", - "smiles": "CC(=O)C1CCCCC1", - "inchi": "InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3" - }, - "molarweight": 126.104, - "model_record": { - "m": 3.76544, - "sigma": 3.69468, - "epsilon_k": 285.64406, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1186-52-3", - "name": "perdeuteroacetic acid", - "iupac_name": "deuterio 2,2,2-trideuterioacetate", - "smiles": "[2H]OC(=O)C([2H])([2H])[2H]", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD" - }, - "molarweight": 60.021, - "model_record": { - "m": 3.99328, - "sigma": 2.59306, - "epsilon_k": 182.30859, - "kappa_ab": 0.9, - "epsilon_k_ab": 1365.80862, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "molarweight": 71.073, - "model_record": { - "m": 2.33966, - "sigma": 3.64804, - "epsilon_k": 280.23094, - "kappa_ab": 0.07367, - "epsilon_k_ab": 1054.21541, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "50807-77-7", - "name": "1,1,2,2,-tetrafluoroethyl-2,2-difluoroethyl ether", - "iupac_name": "1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane", - "smiles": "CC(F)(F)OC(F)(F)C(F)F", - "inchi": "InChI=1S/C4H4F6O/c1-3(7,8)11-4(9,10)2(5)6/h2H,1H3" - }, - "molarweight": 182.017, - "model_record": { - "m": 4.82846, - "sigma": 3.16725, - "epsilon_k": 194.11151, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "molarweight": 44.026, - "model_record": { - "m": 2.14028, - "sigma": 3.22662, - "epsilon_k": 227.62099, - "mu": 2.69, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "molarweight": 59.073, - "model_record": { - "m": 2.6766, - "sigma": 3.43553, - "epsilon_k": 228.61953, - "kappa_ab": 0.02607, - "epsilon_k_ab": 850.97908, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "molarweight": 106.042, - "model_record": { - "m": 3.41549, - "sigma": 3.46319, - "epsilon_k": 301.21161, - "mu": 2.8, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "100-44-7", - "name": "benzyl chloride", - "iupac_name": "chloromethylbenzene", - "smiles": "ClCc1ccccc1", - "inchi": "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" - }, - "molarweight": 126.024, - "model_record": { - "m": 3.57621, - "sigma": 3.54454, - "epsilon_k": 295.46864, - "mu": 1.89 - } - }, - { - "identifier": { - "cas": "75-61-6", - "name": "dibromodifluoromethane [r12b2]", - "iupac_name": "dibromo(difluoro)methane", - "smiles": "FC(F)(Br)Br", - "inchi": "InChI=1S/CBr2F2/c2-1(3,4)5" - }, - "molarweight": 207.833, - "model_record": { - "m": 2.06713, - "sigma": 3.80477, - "epsilon_k": 263.97546 - } - }, - { - "identifier": { - "cas": "1070-32-2", - "name": "3-methyl-1-heptanol", - "iupac_name": "3-methylheptan-1-ol", - "smiles": "CCCCC(C)CCO", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 5.83861, - "sigma": 3.31916, - "epsilon_k": 213.85234, - "kappa_ab": 0.9, - "epsilon_k_ab": 863.90503, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "molarweight": 68.026, - "model_record": { - "m": 2.52507, - "sigma": 3.3022, - "epsilon_k": 247.3907, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "103-50-4", - "name": "dibenzyl ether", - "iupac_name": "phenylmethoxymethylbenzene", - "smiles": "c1ccc(COCc2ccccc2)cc1", - "inchi": "InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2" - }, - "molarweight": 198.104, - "model_record": { - "m": 6.10509, - "sigma": 3.54342, - "epsilon_k": 278.94912, - "mu": 1.39, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "594-36-5", - "name": "2-chloro-2-methylbutane", - "iupac_name": "2-chloro-2-methylbutane", - "smiles": "CCC(C)(C)Cl", - "inchi": "InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3" - }, - "molarweight": 106.055, - "model_record": { - "m": 2.66854, - "sigma": 3.92132, - "epsilon_k": 270.60615 - } - }, - { - "identifier": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "molarweight": 86.073, - "model_record": { - "m": 2.9728, - "sigma": 3.63219, - "epsilon_k": 241.67593, - "kappa_ab": 0.00398, - "epsilon_k_ab": 2398.3937, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.86069, - "sigma": 3.81486, - "epsilon_k": 241.43398 - } - }, - { - "identifier": { - "cas": "557-17-5", - "name": "methyl propyl ether", - "iupac_name": "1-methoxypropane", - "smiles": "CCCOC", - "inchi": "InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3" - }, - "molarweight": 74.073, - "model_record": { - "m": 2.84575, - "sigma": 3.53881, - "epsilon_k": 228.63459, - "mu": 1.24, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "molarweight": 185.868, - "model_record": { - "m": 2.59098, - "sigma": 3.5717, - "epsilon_k": 323.70316, - "mu": 1.0 - } - }, - { - "identifier": { - "cas": "874-35-1", - "name": "5-methylindan", - "iupac_name": "5-methyl-2,3-dihydro-1h-indene", - "smiles": "Cc1ccc2c(c1)CCC2", - "inchi": "InChI=1S/C10H12/c1-8-5-6-9-3-2-4-10(9)7-8/h5-7H,2-4H2,1H3" - }, - "molarweight": 132.094, - "model_record": { - "m": 2.72989, - "sigma": 4.1746, - "epsilon_k": 356.96095 - } - }, - { - "identifier": { - "cas": "1559-02-0", - "name": "diethyl ester 1,1-cyclopropanedicarboxylic acid", - "iupac_name": "diethyl cyclopropane-1,1-dicarboxylate", - "smiles": "CCOC(=O)C1(C(=O)OCC)CC1", - "inchi": "InChI=1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3" - }, - "molarweight": 186.089, - "model_record": { - "m": 5.41964, - "sigma": 3.54229, - "epsilon_k": 254.5684, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "molarweight": 46.042, - "model_record": { - "m": 2.8866, - "sigma": 2.95772, - "epsilon_k": 187.26028, - "kappa_ab": 0.05533, - "epsilon_k_ab": 2462.30577, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "473-55-2", - "name": "2,6,6-trimethylbicyclo[3.1.1]heptane", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]heptane", - "smiles": "CC1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3" - }, - "molarweight": 138.141, - "model_record": { - "m": 3.47152, - "sigma": 3.9902, - "epsilon_k": 284.53871 - } - }, - { - "identifier": { - "cas": "920-66-1", - "name": "1,1,1,3,3,3-hexafluoro-2-propanol", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-ol", - "smiles": "OC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H" - }, - "molarweight": 168.001, - "model_record": { - "m": 4.40925, - "sigma": 3.09084, - "epsilon_k": 186.33207, - "kappa_ab": 0.00131, - "epsilon_k_ab": 2219.88588, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75163-99-4", - "name": "2,3-dimethylnonadecane", - "iupac_name": "2,3-dimethylnonadecane", - "smiles": "CCCCCCCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(4)20(2)3/h20-21H,5-19H2,1-4H3" - }, - "molarweight": 296.344, - "model_record": { - "m": 6.66002, - "sigma": 4.30639, - "epsilon_k": 280.82206 - } - }, - { - "identifier": { - "cas": "1003-03-8", - "name": "cyclopentylamine", - "iupac_name": "cyclopentanamine", - "smiles": "NC1CCCC1", - "inchi": "InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2" - }, - "molarweight": 85.089, - "model_record": { - "m": 1.55714, - "sigma": 4.5, - "epsilon_k": 344.94838, - "kappa_ab": 0.02788, - "epsilon_k_ab": 1661.37696, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1127-76-0", - "name": "1-ethylnaphthalene", - "iupac_name": "1-ethylnaphthalene", - "smiles": "CCc1cccc2ccccc12", - "inchi": "InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3" - }, - "molarweight": 156.094, - "model_record": { - "m": 3.88613, - "sigma": 3.85029, - "epsilon_k": 328.65317 - } - }, - { - "identifier": { - "cas": "930-68-7", - "name": "2-cyclohexen-1-one", - "iupac_name": "cyclohex-2-en-1-one", - "smiles": "O=C1C=CCCC1", - "inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2" - }, - "molarweight": 96.058, - "model_record": { - "m": 3.06286, - "sigma": 3.54915, - "epsilon_k": 303.37106, - "mu": 3.63, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "55191-63-4", - "name": "1-alpha-naphthylpentadecane", - "iupac_name": "1-pentadecylnaphthalene", - "smiles": "CCCCCCCCCCCCCCCc1cccc2ccccc12", - "inchi": "InChI=1S/C25H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-20-17-21-24-19-15-16-22-25(23)24/h15-17,19-22H,2-14,18H2,1H3" - }, - "molarweight": 338.297, - "model_record": { - "m": 9.73191, - "sigma": 3.79644, - "epsilon_k": 271.88605 - } - }, - { - "identifier": { - "cas": "717-74-8", - "name": "1,3,5-triisopropylbenzene", - "iupac_name": "1,3,5-tri(propan-2-yl)benzene", - "smiles": "CC(C)c1cc(C(C)C)cc(C(C)C)c1", - "inchi": "InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3" - }, - "molarweight": 204.188, - "model_record": { - "m": 5.48031, - "sigma": 3.92029, - "epsilon_k": 256.73567 - } - }, - { - "identifier": { - "cas": "108-42-9", - "name": "m-chloroaniline", - "iupac_name": "3-chloroaniline", - "smiles": "Nc1cccc(Cl)c1", - "inchi": "InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2" - }, - "molarweight": 127.019, - "model_record": { - "m": 3.34104, - "sigma": 3.54445, - "epsilon_k": 272.12814, - "kappa_ab": 0.40413, - "epsilon_k_ab": 2019.85235, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "109-09-1", - "name": "2-chloropyridine", - "iupac_name": "2-chloropyridine", - "smiles": "Clc1ccccn1", - "inchi": "InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H" - }, - "molarweight": 113.003, - "model_record": { - "m": 2.91512, - "sigma": 3.56295, - "epsilon_k": 333.81544, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "molarweight": 120.094, - "model_record": { - "m": 3.37257, - "sigma": 3.80719, - "epsilon_k": 299.71414 - } - }, - { - "identifier": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "molarweight": 174.089, - "model_record": { - "m": 6.13667, - "sigma": 3.32456, - "epsilon_k": 247.1628, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "2487-90-3", - "name": "trimethoxysilane", - "iupac_name": "trimethoxysilane", - "smiles": "CO[SiH](OC)OC", - "inchi": "InChI=1S/C3H10O3Si/c1-4-7(5-2)6-3/h7H,1-3H3" - }, - "molarweight": 122.04, - "model_record": { - "m": 3.82528, - "sigma": 3.48825, - "epsilon_k": 220.82175, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "141-32-2", - "name": "2-propenoic acid butyl ester", - "iupac_name": "butyl prop-2-enoate", - "smiles": "C=CC(=O)OCCCC", - "inchi": "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3" - }, - "molarweight": 128.084, - "model_record": { - "m": 4.32452, - "sigma": 3.52968, - "epsilon_k": 243.11798, - "mu": 1.93, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "563-78-0", - "name": "2,3-dimethyl-1-butene", - "iupac_name": "2,3-dimethylbut-1-ene", - "smiles": "C=C(C)C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3" - }, - "molarweight": 84.094, - "model_record": { - "m": 2.84326, - "sigma": 3.80401, - "epsilon_k": 237.66904 - } - }, - { - "identifier": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "molarweight": 73.053, - "model_record": { - "m": 2.0377, - "sigma": 3.83465, - "epsilon_k": 394.28242, - "kappa_ab": 0.01943, - "epsilon_k_ab": 2395.46176, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "513-53-1", - "name": "sec-butylmercaptan", - "iupac_name": "butane-2-thiol", - "smiles": "CCC(C)S", - "inchi": "InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "molarweight": 90.05, - "model_record": { - "m": 2.66544, - "sigma": 3.77377, - "epsilon_k": 273.36602, - "kappa_ab": 0.0001, - "epsilon_k_ab": 1502.574, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "541-01-5", - "name": "hexadecamethylheptasiloxane", - "iupac_name": "bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-dimethylsilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C16H48O6Si7/c1-23(2,3)17-25(7,8)19-27(11,12)21-29(15,16)22-28(13,14)20-26(9,10)18-24(4,5)6/h1-16H3" - }, - "molarweight": 532.184, - "model_record": { - "m": 11.28969, - "sigma": 4.09893, - "epsilon_k": 194.90517, - "nb": 6.0 - } - }, - { - "identifier": { - "cas": "7632-51-1", - "name": "vanadium tetrachloride", - "iupac_name": "tetrachlorovanadium", - "smiles": "[Cl-].[Cl-].[Cl-].[Cl-].[V+4]", - "inchi": "InChI=1S/4ClH.V/h4*1H;/q;;;;+4/p-4" - }, - "molarweight": 189.823, - "model_record": { - "m": 1.63898, - "sigma": 4.5, - "epsilon_k": 443.09059 - } - }, - { - "identifier": { - "cas": "62184-10-5", - "name": "2,4,6-trimethylnonane", - "iupac_name": "2,4,6-trimethylnonane", - "smiles": "CCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C12H26/c1-6-7-11(4)9-12(5)8-10(2)3/h10-12H,6-9H2,1-5H3" - }, - "molarweight": 170.203, - "model_record": { - "m": 4.84062, - "sigma": 3.98179, - "epsilon_k": 244.12431 - } - }, - { - "identifier": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "molarweight": 72.058, - "model_record": { - "m": 2.49122, - "sigma": 3.49913, - "epsilon_k": 273.14964, - "mu": 1.63, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7525-62-4", - "name": "1-ethyl-3-vinylbenzene", - "iupac_name": "1-ethenyl-3-ethylbenzene", - "smiles": "C=Cc1cccc(CC)c1", - "inchi": "InChI=1S/C10H12/c1-3-9-6-5-7-10(4-2)8-9/h3,5-8H,1,4H2,2H3" - }, - "molarweight": 132.094, - "model_record": { - "m": 3.36551, - "sigma": 3.9446, - "epsilon_k": 308.69297 - } - }, - { - "identifier": { - "cas": "75163-98-3", - "name": "2,4-dimethyleicosane", - "iupac_name": "2,4-dimethylicosane", - "smiles": "CCCCCCCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C22H46/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(4)20-21(2)3/h21-22H,5-20H2,1-4H3" - }, - "molarweight": 310.36, - "model_record": { - "m": 11.79236, - "sigma": 3.5593, - "epsilon_k": 217.51348 - } - }, - { - "identifier": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "molarweight": 86.037, - "model_record": { - "m": 3.66054, - "sigma": 3.13998, - "epsilon_k": 236.45052, - "mu": 1.25013, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2163-00-0", - "name": "1,6-dichlorohexane", - "iupac_name": "1,6-dichlorohexane", - "smiles": "ClCCCCCCCl", - "inchi": "InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2" - }, - "molarweight": 154.032, - "model_record": { - "m": 4.15638, - "sigma": 3.64191, - "epsilon_k": 285.34306 - } - }, - { - "identifier": { - "cas": "543-49-7", - "name": "2-heptanol", - "iupac_name": "heptan-2-ol", - "smiles": "CCCCCC(C)O", - "inchi": "InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 116.12, - "model_record": { - "m": 2.88461, - "sigma": 4.13203, - "epsilon_k": 283.81619, - "kappa_ab": 0.00231, - "epsilon_k_ab": 2938.00111, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "589-93-5", - "name": "2,5-dimethylpyridine", - "iupac_name": "2,5-dimethylpyridine", - "smiles": "Cc1ccc(C)nc1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.52066, - "sigma": 3.55164, - "epsilon_k": 281.70977, - "mu": 2.16, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "434-64-0", - "name": "perfluorotoluene", - "iupac_name": "1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene", - "smiles": "Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F", - "inchi": "InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10" - }, - "molarweight": 235.987, - "model_record": { - "m": 4.37021, - "sigma": 3.45886, - "epsilon_k": 216.9885 - } - }, - { - "identifier": { - "cas": "107-51-7", - "name": "octamethyltrisiloxane", - "iupac_name": "dimethyl-bis(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3" - }, - "molarweight": 236.108, - "model_record": { - "m": 5.25135, - "sigma": 4.15321, - "epsilon_k": 211.29842, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "7726-95-6", - "name": "bromine", - "iupac_name": "molecular bromine", - "smiles": "BrBr", - "inchi": "InChI=1S/Br2/c1-2" - }, - "molarweight": 157.837, - "model_record": { - "m": 1.87111, - "sigma": 3.31443, - "epsilon_k": 334.68958 - } - }, - { - "identifier": { - "cas": "107-08-4", - "name": "1-iodopropane", - "iupac_name": "1-iodopropane", - "smiles": "CCCI", - "inchi": "InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3" - }, - "molarweight": 169.959, - "model_record": { - "m": 2.30575, - "sigma": 3.8558, - "epsilon_k": 311.27835, - "mu": 2.04 - } - }, - { - "identifier": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "smiles": "Cc1cc(C)cc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "molarweight": 122.073, - "model_record": { - "m": 2.76731, - "sigma": 4.01502, - "epsilon_k": 358.61558, - "kappa_ab": 0.00253, - "epsilon_k_ab": 2751.43048, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "molarweight": 58.078, - "model_record": { - "m": 2.23943, - "sigma": 3.77033, - "epsilon_k": 217.60377 - } - }, - { - "identifier": { - "cas": "13838-16-9", - "name": "enflurane", - "iupac_name": "2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane", - "smiles": "FC(F)OC(F)(F)C(F)Cl", - "inchi": "InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H" - }, - "molarweight": 183.971, - "model_record": { - "m": 4.16377, - "sigma": 3.28537, - "epsilon_k": 195.6078, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "447-53-0", - "name": "1,2-dihydronaphthalene", - "iupac_name": "1,2-dihydronaphthalene", - "smiles": "C1=Cc2ccccc2CC1", - "inchi": "InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2" - }, - "molarweight": 130.078, - "model_record": { - "m": 3.03295, - "sigma": 3.9464, - "epsilon_k": 344.91204 - } - }, - { - "identifier": { - "cas": "174899-82-2", - "name": "1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide", - "iupac_name": "bis(trifluoromethylsulfonyl)azanide;1-ethyl-3-methylimidazol-3-ium", - "smiles": "CCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6H11N2.C2F6NO4S2/c1-3-8-5-4-7(2)6-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6H,3H2,1-2H3;/q+1;-1" - }, - "molarweight": 391.01, - "model_record": { - "m": 4.48934, - "sigma": 4.5, - "epsilon_k": 550.0, - "nb": 5.0 - } - }, - { - "identifier": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "molarweight": 105.079, - "model_record": { - "m": 7.8196, - "sigma": 2.51778, - "epsilon_k": 132.88053, - "kappa_ab": 0.47928, - "epsilon_k_ab": 1948.16098, - "na": 3.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "151-56-4", - "name": "ethylenimine", - "iupac_name": "aziridine", - "smiles": "C1CN1", - "inchi": "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2" - }, - "molarweight": 43.042, - "model_record": { - "m": 2.31053, - "sigma": 3.11275, - "epsilon_k": 259.24488, - "kappa_ab": 0.11094, - "epsilon_k_ab": 1038.16463, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "354-96-1", - "name": "perfluoro-2,3-dimethylbutane", - "iupac_name": "1,1,1,2,3,4,4,4-octafluoro-2,3-bis(trifluoromethyl)butane", - "smiles": "FC(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(3(9,10)11,4(12,13)14)2(8,5(15,16)17)6(18,19)20" - }, - "molarweight": 337.978, - "model_record": { - "m": 4.18181, - "sigma": 3.78861, - "epsilon_k": 189.34699 - } - }, - { - "identifier": { - "cas": "26429-11-8", - "name": "4-methylheptadecane", - "iupac_name": "4-methylheptadecane", - "smiles": "CCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h18H,4-17H2,1-3H3" - }, - "molarweight": 254.297, - "model_record": { - "m": 5.36223, - "sigma": 4.41708, - "epsilon_k": 288.96074 - } - }, - { - "identifier": { - "cas": "6418-44-6", - "name": "3-methylheptadecane", - "iupac_name": "3-methylheptadecane", - "smiles": "CCCCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h18H,4-17H2,1-3H3" - }, - "molarweight": 254.297, - "model_record": { - "m": 7.45077, - "sigma": 3.93233, - "epsilon_k": 252.09369 - } - }, - { - "identifier": { - "cas": "111-86-4", - "name": "1-octanamine", - "iupac_name": "octan-1-amine", - "smiles": "CCCCCCCCN", - "inchi": "InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3" - }, - "molarweight": 129.152, - "model_record": { - "m": 3.77186, - "sigma": 3.9426, - "epsilon_k": 274.90676, - "kappa_ab": 0.00559, - "epsilon_k_ab": 1712.01041, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "molarweight": 118.063, - "model_record": { - "m": 4.14185, - "sigma": 3.38307, - "epsilon_k": 239.35345, - "mu": 1.1, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "111-62-6", - "name": "(z)-9-octadecenoic acid ethyl ester", - "iupac_name": "ethyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-" - }, - "molarweight": 310.287, - "model_record": { - "m": 6.08461, - "sigma": 4.40445, - "epsilon_k": 299.3266, - "mu": 1.81, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "762-63-0", - "name": "cis-4,4-dimethyl-2-pentene", - "iupac_name": "(z)-4,4-dimethylpent-2-ene", - "smiles": "C/C=C\\C(C)(C)C", - "inchi": "InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5-" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.92104, - "sigma": 3.95701, - "epsilon_k": 249.92459 - } - }, - { - "identifier": { - "cas": "335-27-3", - "name": "perfluoro-1,3-dimethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F", - "inchi": "InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14" - }, - "molarweight": 399.974, - "model_record": { - "m": 4.79141, - "sigma": 3.80826, - "epsilon_k": 198.24067 - } - }, - { - "identifier": { - "cas": "756-13-8", - "name": "dodecafluoro-2-methylpentan-3-one", - "iupac_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one", - "smiles": "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18" - }, - "molarweight": 315.976, - "model_record": { - "m": 4.48058, - "sigma": 3.71439, - "epsilon_k": 175.86696, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-86-5", - "name": "2-hydroxy-2-methylpropionitrile", - "iupac_name": "2-hydroxy-2-methylpropanenitrile", - "smiles": "CC(C)(O)C#N", - "inchi": "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3" - }, - "molarweight": 85.053, - "model_record": { - "m": 2.23662, - "sigma": 3.94059, - "epsilon_k": 406.24134, - "kappa_ab": 0.0001, - "epsilon_k_ab": 2503.36442, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "molarweight": 200.178, - "model_record": { - "m": 5.1324, - "sigma": 4.0044, - "epsilon_k": 285.99504, - "kappa_ab": 0.00271, - "epsilon_k_ab": 3654.9118, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "563-16-6", - "name": "3,3-dimethylhexane", - "iupac_name": "3,3-dimethylhexane", - "smiles": "CCCC(C)(C)CC", - "inchi": "InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.21937, - "sigma": 4.03238, - "epsilon_k": 256.20469 - } - }, - { - "identifier": { - "cas": "7783-26-8", - "name": "trisilane", - "iupac_name": "disilylsilane", - "smiles": "[SiH3][SiH2][SiH3]", - "inchi": "InChI=1S/H8Si3/c1-3-2/h3H2,1-2H3" - }, - "molarweight": 91.993, - "model_record": { - "m": 2.45181, - "sigma": 4.03147, - "epsilon_k": 256.38088 - } - }, - { - "identifier": { - "cas": "872-55-9", - "name": "2-ethylthiophene", - "iupac_name": "2-ethylthiophene", - "smiles": "CCc1cccs1", - "inchi": "InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3" - }, - "molarweight": 112.035, - "model_record": { - "m": 3.23193, - "sigma": 3.62393, - "epsilon_k": 282.4304, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6569-51-3", - "name": "borazine", - "iupac_name": "1,3,5,2,4,6-triazatriborinane", - "smiles": "B1NBNBN1", - "inchi": "InChI=1S/B3H6N3/c1-4-2-6-3-5-1/h1-6H" - }, - "molarweight": 81.084, - "model_record": { - "m": 1.47621, - "sigma": 4.5, - "epsilon_k": 338.24131, - "kappa_ab": 0.00365, - "epsilon_k_ab": 686.97525, - "na": 3.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "molarweight": 135.995, - "model_record": { - "m": 3.36537, - "sigma": 3.14903, - "epsilon_k": 156.43279, - "mu": 1.5, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "molarweight": 85.973, - "model_record": { - "m": 2.4077, - "sigma": 3.15948, - "epsilon_k": 187.11613, - "mu": 1.458 - } - }, - { - "identifier": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "molarweight": 101.12, - "model_record": { - "m": 3.29493, - "sigma": 3.7908, - "epsilon_k": 240.45519, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7785-70-8", - "name": "d-.alpha.-pinene", - "iupac_name": "(1r,5r)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CC[C@@H]2C[C@H]1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1" - }, - "molarweight": 136.125, - "model_record": { - "m": 3.11578, - "sigma": 4.115, - "epsilon_k": 293.49292 - } - }, - { - "identifier": { - "cas": "1560-95-8", - "name": "2-methyltetradecane", - "iupac_name": "2-methyltetradecane", - "smiles": "CCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C15H32/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h15H,4-14H2,1-3H3" - }, - "molarweight": 212.25, - "model_record": { - "m": 6.24738, - "sigma": 3.94387, - "epsilon_k": 252.16201 - } - }, - { - "identifier": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "molarweight": 103.042, - "model_record": { - "m": 3.25647, - "sigma": 3.55325, - "epsilon_k": 298.91653, - "mu": 4.18, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2425-54-9", - "name": "1-chlorotetradecane", - "iupac_name": "1-chlorotetradecane", - "smiles": "CCCCCCCCCCCCCCCl", - "inchi": "InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3" - }, - "molarweight": 232.196, - "model_record": { - "m": 6.402, - "sigma": 3.88956, - "epsilon_k": 265.17609 - } - }, - { - "identifier": { - "cas": "1120-34-9", - "name": "methyl erucate", - "iupac_name": "methyl (z)-docos-13-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-" - }, - "molarweight": 352.334, - "model_record": { - "m": 10.98621, - "sigma": 3.72906, - "epsilon_k": 243.26602, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "23153-23-3", - "name": "1,1,1,3,3-pentachloropropane", - "iupac_name": "1,1,1,3,3-pentachloropropane", - "smiles": "ClC(Cl)CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C3H3Cl5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "molarweight": 213.868, - "model_record": { - "m": 3.59825, - "sigma": 3.74257, - "epsilon_k": 291.54726, - "mu": 1.08 - } - }, - { - "identifier": { - "cas": "622-38-8", - "name": "phenyl ethyl sulfide", - "iupac_name": "ethylsulfanylbenzene", - "smiles": "CCSc1ccccc1", - "inchi": "InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "molarweight": 138.05, - "model_record": { - "m": 3.76113, - "sigma": 3.69532, - "epsilon_k": 302.73934, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "18435-23-9", - "name": "2,3-dimethyltetradecane", - "iupac_name": "2,3-dimethyltetradecane", - "smiles": "CCCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C16H34/c1-5-6-7-8-9-10-11-12-13-14-16(4)15(2)3/h15-16H,5-14H2,1-4H3" - }, - "molarweight": 226.266, - "model_record": { - "m": 5.79506, - "sigma": 4.12539, - "epsilon_k": 268.25811 - } - }, - { - "identifier": { - "cas": "112-34-5", - "name": "diethylene glycol monobutyl ether", - "iupac_name": "2-(2-butoxyethoxy)ethanol", - "smiles": "CCCCOCCOCCO", - "inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" - }, - "molarweight": 162.126, - "model_record": { - "m": 4.18108, - "sigma": 3.889, - "epsilon_k": 274.29093, - "kappa_ab": 0.01116, - "epsilon_k_ab": 2028.1552, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "541-41-3", - "name": "ethyl chloroformate", - "iupac_name": "ethyl carbonochloridate", - "smiles": "CCOC(=O)Cl", - "inchi": "InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3" - }, - "molarweight": 107.998, - "model_record": { - "m": 3.07101, - "sigma": 3.44727, - "epsilon_k": 254.37154, - "mu": 2.56, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "molarweight": 122.073, - "model_record": { - "m": 2.35891, - "sigma": 4.22855, - "epsilon_k": 380.08854, - "kappa_ab": 0.00463, - "epsilon_k_ab": 2419.64414, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "335-57-9", - "name": "perfluoro-n-heptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" - }, - "molarweight": 387.974, - "model_record": { - "m": 5.11596, - "sigma": 3.75187, - "epsilon_k": 180.92292, - "mu": 1.7 - } - }, - { - "identifier": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "molarweight": 90.068, - "model_record": { - "m": 3.62847, - "sigma": 3.33187, - "epsilon_k": 230.55538, - "mu": 1.71, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1560-89-0", - "name": "2-methylheptadecane", - "iupac_name": "2-methylheptadecane", - "smiles": "CCCCCCCCCCCCCCCC(C)C", - "inchi": "InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3" - }, - "molarweight": 254.297, - "model_record": { - "m": 7.82256, - "sigma": 3.86876, - "epsilon_k": 246.40761 - } - }, - { - "identifier": { - "cas": "3710-84-7", - "name": "n-hydroxydiethylamine", - "iupac_name": "n,n-diethylhydroxylamine", - "smiles": "CCN(O)CC", - "inchi": "InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3" - }, - "molarweight": 89.084, - "model_record": { - "m": 4.3918, - "sigma": 3.17247, - "epsilon_k": 231.04972, - "kappa_ab": 0.00597, - "epsilon_k_ab": 1812.50102, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1074-55-1", - "name": "p-methylpropylbenzene", - "iupac_name": "1-methyl-4-propylbenzene", - "smiles": "CCCc1ccc(C)cc1", - "inchi": "InChI=1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3" - }, - "molarweight": 134.11, - "model_record": { - "m": 3.71196, - "sigma": 3.87316, - "epsilon_k": 285.65038 - } - }, - { - "identifier": { - "cas": "75-76-3", - "name": "tetramethylsilane", - "iupac_name": "tetramethylsilane", - "smiles": "C[Si](C)(C)C", - "inchi": "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" - }, - "molarweight": 88.071, - "model_record": { - "m": 2.6885, - "sigma": 3.95084, - "epsilon_k": 220.42758 - } - }, - { - "identifier": { - "cas": "25449-61-0", - "name": "1,1,1-trifluoro-2-(1,1,2-trifluoroethoxy) ethane", - "iupac_name": "1,1,1-trifluoro-2-(1,1,2-trifluoroethoxy)ethane", - "smiles": "FCC(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H4F6O/c5-1-4(9,10)11-2-3(6,7)8/h1-2H2" - }, - "molarweight": 182.017, - "model_record": { - "m": 4.86075, - "sigma": 3.17084, - "epsilon_k": 184.94086, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "112-72-1", - "name": "1-tetradecanol", - "iupac_name": "tetradecan-1-ol", - "smiles": "CCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3" - }, - "molarweight": 214.23, - "model_record": { - "m": 6.14784, - "sigma": 3.91299, - "epsilon_k": 267.80892, - "kappa_ab": 0.00328, - "epsilon_k_ab": 2742.58776, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "6876-23-9", - "name": "trans-1,2-dimethylcyclohexane", - "iupac_name": "(1r,2r)-1,2-dimethylcyclohexane", - "smiles": "C[C@H]1CCCC[C@@H]1C", - "inchi": "InChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/s2" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.75105, - "sigma": 4.13827, - "epsilon_k": 291.30809 - } - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "molarweight": 70.078, - "model_record": { - "m": 2.25774, - "sigma": 3.75308, - "epsilon_k": 273.50029 - } - }, - { - "identifier": { - "cas": "1732-13-4", - "name": "1,2,3,6,7,8-hexahydropyrene", - "iupac_name": "1,2,3,6,7,8-hexahydropyrene", - "smiles": "c1cc2c3c(ccc4c3c1CCC4)CCC2", - "inchi": "InChI=1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2" - }, - "molarweight": 208.125, - "model_record": { - "m": 4.09989, - "sigma": 4.07796, - "epsilon_k": 382.73168 - } - }, - { - "identifier": { - "cas": "107-93-7", - "name": "trans-2-butenoic acid", - "iupac_name": "(e)-but-2-enoic acid", - "smiles": "C/C=C/C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+" - }, - "molarweight": 86.037, - "model_record": { - "m": 4.01532, - "sigma": 3.10577, - "epsilon_k": 289.48285, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3225.73362, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-70-7", - "name": "hexanoic acid methyl ester", - "iupac_name": "methyl hexanoate", - "smiles": "CCCCCC(=O)OC", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.46579, - "sigma": 3.53192, - "epsilon_k": 241.73075, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "20602-86-2", - "name": "diamyl oxalate", - "iupac_name": "dipentyl oxalate", - "smiles": "CCCCCOC(=O)C(=O)OCCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-7-9-15-11(13)12(14)16-10-8-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 230.152, - "model_record": { - "m": 5.86688, - "sigma": 3.84745, - "epsilon_k": 269.04678, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "78-77-3", - "name": "1-bromo-2-methylpropane", - "iupac_name": "1-bromo-2-methylpropane", - "smiles": "CC(C)CBr", - "inchi": "InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "molarweight": 135.989, - "model_record": { - "m": 2.74235, - "sigma": 3.74155, - "epsilon_k": 274.41035 - } - }, - { - "identifier": { - "cas": "109-64-8", - "name": "1,3-dibromopropane", - "iupac_name": "1,3-dibromopropane", - "smiles": "BrCCCBr", - "inchi": "InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2" - }, - "molarweight": 199.884, - "model_record": { - "m": 2.81529, - "sigma": 3.69431, - "epsilon_k": 328.67314, - "mu": 2.07 - } - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "molarweight": 60.021, - "model_record": { - "m": 2.66025, - "sigma": 3.08466, - "epsilon_k": 237.14078, - "mu": 1.77, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "10544-95-3", - "name": "4-methyloctadecane", - "iupac_name": "4-methyloctadecane", - "smiles": "CCCCCCCCCCCCCCC(C)CCC", - "inchi": "InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-19(3)17-5-2/h19H,4-18H2,1-3H3" - }, - "molarweight": 268.313, - "model_record": { - "m": 6.30226, - "sigma": 4.2476, - "epsilon_k": 275.41388 - } - }, - { - "identifier": { - "cas": "111-55-7", - "name": "ethylene glycol diacetate", - "iupac_name": "2-acetyloxyethyl acetate", - "smiles": "CC(=O)OCCOC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3" - }, - "molarweight": 146.058, - "model_record": { - "m": 5.53795, - "sigma": 3.18735, - "epsilon_k": 240.54736, - "mu": 2.32, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "molarweight": 111.985, - "model_record": { - "m": 2.52453, - "sigma": 3.73052, - "epsilon_k": 291.64502, - "mu": 1.9 - } - }, - { - "identifier": { - "cas": "590-86-3", - "name": "3-methylbutyraldehyde", - "iupac_name": "3-methylbutanal", - "smiles": "CC(C)CC=O", - "inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3" - }, - "molarweight": 86.073, - "model_record": { - "m": 3.18638, - "sigma": 3.55785, - "epsilon_k": 253.00738, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "18720-62-2", - "name": "2-methyl-heptanol-3", - "iupac_name": "2-methylheptan-3-ol", - "smiles": "CCCCC(O)C(C)C", - "inchi": "InChI=1S/C8H18O/c1-4-5-6-8(9)7(2)3/h7-9H,4-6H2,1-3H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 5.90703, - "sigma": 3.3167, - "epsilon_k": 213.5959, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3920.01087, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "molarweight": 132.094, - "model_record": { - "m": 2.54336, - "sigma": 4.21529, - "epsilon_k": 350.27415 - } - }, - { - "identifier": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "molarweight": 349.978, - "model_record": { - "m": 4.22497, - "sigma": 3.83358, - "epsilon_k": 197.32599 - } - }, - { - "identifier": { - "cas": "638-46-0", - "name": "ethyl butyl sulfide", - "iupac_name": "1-ethylsulfanylbutane", - "smiles": "CCCCSCC", - "inchi": "InChI=1S/C6H14S/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "molarweight": 118.082, - "model_record": { - "m": 3.65249, - "sigma": 3.73216, - "epsilon_k": 264.28684, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "536-78-7", - "name": "3-ethylpyridine", - "iupac_name": "3-ethylpyridine", - "smiles": "CCc1cccnc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.15241, - "sigma": 3.68819, - "epsilon_k": 304.7802, - "mu": 2.41, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "2374-14-3", - "name": "1,3,5-tris(3,3,3-trifluoropropyl)-1,3,5-trimethylcyclotrisiloxane", - "iupac_name": "2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane", - "smiles": "C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1", - "inchi": "InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3" - }, - "molarweight": 468.065, - "model_record": { - "m": 9.67999, - "sigma": 3.693, - "epsilon_k": 195.63639, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "84030-20-6", - "name": "7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene", - "iupac_name": "1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine", - "smiles": "CN1CCCN2CCCN=C12", - "inchi": "InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3" - }, - "molarweight": 153.127, - "model_record": { - "m": 4.12404, - "sigma": 3.6836, - "epsilon_k": 323.82893, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "75-19-4", - "name": "cyclopropane", - "iupac_name": "cyclopropane", - "smiles": "C1CC1", - "inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2" - }, - "molarweight": 42.047, - "model_record": { - "m": 1.85512, - "sigma": 3.47557, - "epsilon_k": 232.78501 - } - }, - { - "identifier": { - "cas": "75-24-1", - "name": "trimethylaluminum", - "iupac_name": "trimethylalumane", - "smiles": "[Al].[CH3].[CH3].[CH3]", - "inchi": "InChI=1S/3CH3.Al/h3*1H3;" - }, - "molarweight": 72.052, - "model_record": { - "m": 3.07608, - "sigma": 3.51643, - "epsilon_k": 286.24799, - "mu": 1.59789 - } - }, - { - "identifier": { - "cas": "7664-39-3", - "name": "hydrogen fluoride", - "iupac_name": "fluorane", - "smiles": "F", - "inchi": "InChI=1S/FH/h1H" - }, - "molarweight": 20.006, - "model_record": { - "m": 1.23675, - "sigma": 2.90791, - "epsilon_k": 322.58425, - "mu": 1.82 - } - }, - { - "identifier": { - "cas": "88-95-9", - "name": "phthaloyl chloride", - "iupac_name": "benzene-1,2-dicarbonyl chloride", - "smiles": "O=C(Cl)c1ccccc1C(=O)Cl", - "inchi": "InChI=1S/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H" - }, - "molarweight": 201.959, - "model_record": { - "m": 3.43154, - "sigma": 3.94469, - "epsilon_k": 363.88343, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "105-21-5", - "name": "gamma-heptanolactone", - "iupac_name": "5-propyloxolan-2-one", - "smiles": "CCCC1CCC(=O)O1", - "inchi": "InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3" - }, - "molarweight": 128.084, - "model_record": { - "m": 3.74354, - "sigma": 3.67007, - "epsilon_k": 328.12524, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "55000-54-9", - "name": "2,6-dimethyl-3-octylnaphthalene", - "iupac_name": "2,6-dimethyl-3-octylnaphthalene", - "smiles": "CCCCCCCCc1cc2cc(C)ccc2cc1C", - "inchi": "InChI=1S/C20H28/c1-4-5-6-7-8-9-10-18-15-20-13-16(2)11-12-19(20)14-17(18)3/h11-15H,4-10H2,1-3H3" - }, - "molarweight": 268.219, - "model_record": { - "m": 6.90604, - "sigma": 3.91531, - "epsilon_k": 295.37663 - } - }, - { - "identifier": { - "cas": "105-38-4", - "name": "vinyl propionate", - "iupac_name": "ethenyl propanoate", - "smiles": "C=COC(=O)CC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3" - }, - "molarweight": 100.052, - "model_record": { - "m": 3.77659, - "sigma": 3.34434, - "epsilon_k": 232.74258, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "112-55-0", - "name": "n-dodecyl mercaptan", - "iupac_name": "dodecane-1-thiol", - "smiles": "CCCCCCCCCCCCS", - "inchi": "InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "molarweight": 202.176, - "model_record": { - "m": 4.77538, - "sigma": 4.17666, - "epsilon_k": 291.3957, - "kappa_ab": 0.00031, - "epsilon_k_ab": 3221.30897, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "10025-87-3", - "name": "phosphoryl chloride", - "iupac_name": "phosphoryl trichloride", - "smiles": "O=P(Cl)(Cl)Cl", - "inchi": "InChI=1S/Cl3OP/c1-5(2,3)4" - }, - "molarweight": 151.875, - "model_record": { - "m": 2.69215, - "sigma": 3.58193, - "epsilon_k": 287.00284, - "mu": 2.42, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "99-62-7", - "name": "1,3-diisopropylbenzene", - "iupac_name": "1,3-di(propan-2-yl)benzene", - "smiles": "CC(C)c1cccc(C(C)C)c1", - "inchi": "InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3" - }, - "molarweight": 162.141, - "model_record": { - "m": 4.46773, - "sigma": 3.87604, - "epsilon_k": 267.29506 - } - }, - { - "identifier": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "molarweight": 195.9, - "model_record": { - "m": 2.1598, - "sigma": 3.68288, - "epsilon_k": 214.8023, - "mu": 0.92 - } - }, - { - "identifier": { - "cas": "92-85-3", - "name": "thianthrene", - "iupac_name": "thianthrene", - "smiles": "c1ccc2c(c1)Sc1ccccc1S2", - "inchi": "InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H" - }, - "molarweight": 216.007, - "model_record": { - "m": 3.99839, - "sigma": 3.96357, - "epsilon_k": 392.09778, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "17312-44-6", - "name": "2,3-dimethyldecane", - "iupac_name": "2,3-dimethyldecane", - "smiles": "CCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C12H26/c1-5-6-7-8-9-10-12(4)11(2)3/h11-12H,5-10H2,1-4H3" - }, - "molarweight": 170.203, - "model_record": { - "m": 4.61803, - "sigma": 4.05824, - "epsilon_k": 262.03675 - } - }, - { - "identifier": { - "cas": "87-61-6", - "name": "1,2,3-trichlorobenzene", - "iupac_name": "1,2,3-trichlorobenzene", - "smiles": "Clc1cccc(Cl)c1Cl", - "inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H" - }, - "molarweight": 179.93, - "model_record": { - "m": 3.32058, - "sigma": 3.74383, - "epsilon_k": 334.18319, - "mu": 2.44 - } - }, - { - "identifier": { - "cas": "1551-21-9", - "name": "methyl isopropyl sulfide", - "iupac_name": "2-methylsulfanylpropane", - "smiles": "CSC(C)C", - "inchi": "InChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3" - }, - "molarweight": 90.05, - "model_record": { - "m": 2.65363, - "sigma": 3.77723, - "epsilon_k": 274.36378, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "121-14-2", - "name": "2,4-dinitrotoluene", - "iupac_name": "1-methyl-2,4-dinitrobenzene", - "smiles": "Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]", - "inchi": "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3" - }, - "molarweight": 182.033, - "model_record": { - "m": 3.90231, - "sigma": 3.69636, - "epsilon_k": 361.72261, - "mu": 4.32, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "595-37-9", - "name": "2,2-dimethylbutanoic acid", - "iupac_name": "2,2-dimethylbutanoic acid", - "smiles": "CCC(C)(C)C(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)" - }, - "molarweight": 116.084, - "model_record": { - "m": 5.134, - "sigma": 3.23328, - "epsilon_k": 233.85561, - "kappa_ab": 0.04893, - "epsilon_k_ab": 1983.61924, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 155.957, - "model_record": { - "m": 2.72034, - "sigma": 3.77446, - "epsilon_k": 327.7337, - "mu": 1.7 - } - }, - { - "identifier": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(C)=O", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3" - }, - "molarweight": 158.131, - "model_record": { - "m": 5.29898, - "sigma": 3.58679, - "epsilon_k": 240.96585, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "288-32-4", - "name": "1h-imidazole", - "iupac_name": "1h-imidazole", - "smiles": "c1c[nH]cn1", - "inchi": "InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)" - }, - "molarweight": 68.037, - "model_record": { - "m": 4.14062, - "sigma": 2.75025, - "epsilon_k": 237.38272, - "kappa_ab": 0.9, - "epsilon_k_ab": 2864.98261, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "355-28-2", - "name": "2,2,3,3,4,4,5,5,5-nonafluoro-1-pentanol", - "iupac_name": "2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol", - "smiles": "OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5H3F9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2" - }, - "molarweight": 250.004, - "model_record": { - "m": 3.81198, - "sigma": 3.75838, - "epsilon_k": 217.87589, - "kappa_ab": 0.00441, - "epsilon_k_ab": 2515.8383, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "622-97-9", - "name": "p-methyl-styrene", - "iupac_name": "1-ethenyl-4-methylbenzene", - "smiles": "C=Cc1ccc(C)cc1", - "inchi": "InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3" - }, - "molarweight": 118.078, - "model_record": { - "m": 3.33333, - "sigma": 3.77265, - "epsilon_k": 300.12534 - } - }, - { - "identifier": { - "cas": "96-54-8", - "name": "n-methyl pyrrole", - "iupac_name": "1-methylpyrrole", - "smiles": "Cn1cccc1", - "inchi": "InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3" - }, - "molarweight": 81.058, - "model_record": { - "m": 3.08939, - "sigma": 3.38913, - "epsilon_k": 276.12466, - "mu": 1.73, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7783-61-1", - "name": "silicon tetrafluoride", - "iupac_name": "tetrafluorosilane", - "smiles": "F[Si](F)(F)F", - "inchi": "InChI=1S/F4Si/c1-5(2,3)4" - }, - "molarweight": 103.971, - "model_record": { - "m": 3.29363, - "sigma": 2.79753, - "epsilon_k": 116.02648 - } - }, - { - "identifier": { - "cas": "627-05-4", - "name": "1-nitrobutane", - "iupac_name": "1-nitrobutane", - "smiles": "CCCC[N+](=O)[O-]", - "inchi": "InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3" - }, - "molarweight": 103.063, - "model_record": { - "m": 3.617, - "sigma": 3.4261, - "epsilon_k": 264.38587, - "mu": 3.59, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "110-42-9", - "name": "decanoic acid methyl ester", - "iupac_name": "methyl decanoate", - "smiles": "CCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3" - }, - "molarweight": 186.162, - "model_record": { - "m": 5.79931, - "sigma": 3.69896, - "epsilon_k": 249.01319, - "mu": 2.08, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "6975-98-0", - "name": "2-methyldecane", - "iupac_name": "2-methyldecane", - "smiles": "CCCCCCCCC(C)C", - "inchi": "InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3" - }, - "molarweight": 156.188, - "model_record": { - "m": 4.87058, - "sigma": 3.88386, - "epsilon_k": 245.87139 - } - }, - { - "identifier": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "molarweight": 76.008, - "model_record": { - "m": 2.43958, - "sigma": 3.49129, - "epsilon_k": 254.12751, - "mu": 2.0 - } - }, - { - "identifier": { - "cas": "17302-24-8", - "name": "2,4-dimethylnonane", - "iupac_name": "2,4-dimethylnonane", - "smiles": "CCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C11H24/c1-5-6-7-8-11(4)9-10(2)3/h10-11H,5-9H2,1-4H3" - }, - "molarweight": 156.188, - "model_record": { - "m": 5.0097, - "sigma": 3.8338, - "epsilon_k": 237.31989 - } - }, - { - "identifier": { - "cas": "55429-35-1", - "name": "1,7-dicyclopentyl-4-(3-cyclopentylpropyl)heptane", - "iupac_name": "[7-cyclopentyl-4-(3-cyclopentylpropyl)heptyl]cyclopentane", - "smiles": "C1CCC(CCCC(CCCC2CCCC2)CCCC2CCCC2)C1", - "inchi": "InChI=1S/C25H46/c1-2-11-22(10-1)16-7-19-25(20-8-17-23-12-3-4-13-23)21-9-18-24-14-5-6-15-24/h22-25H,1-21H2" - }, - "molarweight": 346.36, - "model_record": { - "m": 7.84833, - "sigma": 4.16454, - "epsilon_k": 290.38467 - } - }, - { - "identifier": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "molarweight": 45.058, - "model_record": { - "m": 2.29695, - "sigma": 3.34472, - "epsilon_k": 225.25687, - "kappa_ab": 0.02657, - "epsilon_k_ab": 988.83672, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1072-16-8", - "name": "2,7-dimethyloctane", - "iupac_name": "2,7-dimethyloctane", - "smiles": "CC(C)CCCCC(C)C", - "inchi": "InChI=1S/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3" - }, - "molarweight": 142.172, - "model_record": { - "m": 4.309, - "sigma": 3.93099, - "epsilon_k": 245.07869 - } - }, - { - "identifier": { - "cas": "141-62-8", - "name": "decamethyltetrasiloxane", - "iupac_name": "[dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxysilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3" - }, - "molarweight": 310.127, - "model_record": { - "m": 6.63032, - "sigma": 4.17216, - "epsilon_k": 206.12642, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "625-84-3", - "name": "2,5-dimethyl pyrrole", - "iupac_name": "2,5-dimethyl-1h-pyrrole", - "smiles": "Cc1ccc(C)[nH]1", - "inchi": "InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3" - }, - "molarweight": 95.073, - "model_record": { - "m": 4.9219, - "sigma": 3.0347, - "epsilon_k": 246.87869, - "mu": 2.064 - } - }, - { - "identifier": { - "cas": "88-75-5", - "name": "o-nitrophenol", - "iupac_name": "2-nitrophenol", - "smiles": "O=[N+]([O-])c1ccccc1O", - "inchi": "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H" - }, - "molarweight": 139.027, - "model_record": { - "m": 3.7188, - "sigma": 3.44771, - "epsilon_k": 299.64521, - "kappa_ab": 0.9, - "epsilon_k_ab": 211.12794, - "na": 1.0, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "molarweight": 337.978, - "model_record": { - "m": 4.71463, - "sigma": 3.68131, - "epsilon_k": 176.00639 - } - }, - { - "identifier": { - "cas": "4850-28-6", - "name": "1-cis-2-trans-4-trimethylcyclopentane", - "iupac_name": "(1r,2s)-1,2,4-trimethylcyclopentane", - "smiles": "C[C@@H]1C[C@@H](C)[C@@H](C)C1", - "inchi": "InChI=1/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3/t6-,7-,8+" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.93534, - "sigma": 4.05617, - "epsilon_k": 275.52874 - } - }, - { - "identifier": { - "cas": "690-93-7", - "name": "trans-2,2-dimethyl-3-hexene", - "iupac_name": "(e)-2,2-dimethylhex-3-ene", - "smiles": "CC/C=C/C(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.62903, - "sigma": 3.84198, - "epsilon_k": 233.29859 - } - }, - { - "identifier": { - "cas": "13151-34-3", - "name": "3-methyldecane", - "iupac_name": "3-methyldecane", - "smiles": "CCCCCCCC(C)CC", - "inchi": "InChI=1S/C11H24/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-10H2,1-3H3" - }, - "molarweight": 156.188, - "model_record": { - "m": 4.1835, - "sigma": 4.09797, - "epsilon_k": 266.95381 - } - }, - { - "identifier": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 3.9573, - "sigma": 3.85099, - "epsilon_k": 235.00384, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "565-75-3", - "name": "2,3,4-trimethyl pentane", - "iupac_name": "2,3,4-trimethylpentane", - "smiles": "CC(C)C(C)C(C)C", - "inchi": "InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.17623, - "sigma": 4.03277, - "epsilon_k": 259.56788 - } - }, - { - "identifier": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "molarweight": 163.875, - "model_record": { - "m": 2.69164, - "sigma": 3.71137, - "epsilon_k": 303.51594 - } - }, - { - "identifier": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "molarweight": 88.089, - "model_record": { - "m": 3.08778, - "sigma": 3.66242, - "epsilon_k": 238.39141, - "mu": 1.25, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.27121, - "sigma": 3.59938, - "epsilon_k": 241.48775, - "mu": 1.75, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "290-37-9", - "name": "pyrazine", - "iupac_name": "pyrazine", - "smiles": "c1cnccn1", - "inchi": "InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H" - }, - "molarweight": 80.037, - "model_record": { - "m": 2.82189, - "sigma": 3.31028, - "epsilon_k": 239.79933, - "mu": 4.22, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "molarweight": 110.11, - "model_record": { - "m": 3.74554, - "sigma": 3.73511, - "epsilon_k": 247.89273, - "mu": 0.96 - } - }, - { - "identifier": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "molarweight": 100.089, - "model_record": { - "m": 3.09647, - "sigma": 3.68029, - "epsilon_k": 265.19482, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-47-4", - "name": "2,4-dimethylpyridine", - "iupac_name": "2,4-dimethylpyridine", - "smiles": "Cc1ccnc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.3186, - "sigma": 3.62841, - "epsilon_k": 294.02923, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "molarweight": 104.063, - "model_record": { - "m": 3.08735, - "sigma": 3.71027, - "epsilon_k": 295.82828 - } - }, - { - "identifier": { - "cas": "112-07-2", - "name": "2-butoxyethyl acetate", - "iupac_name": "2-butoxyethyl acetate", - "smiles": "CCCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" - }, - "molarweight": 160.11, - "model_record": { - "m": 5.49081, - "sigma": 3.47348, - "epsilon_k": 238.23978, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "112-23-2", - "name": "heptyl formate", - "iupac_name": "heptyl formate", - "smiles": "CCCCCCCOC=O", - "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3" - }, - "molarweight": 144.115, - "model_record": { - "m": 4.86742, - "sigma": 3.5668, - "epsilon_k": 244.16673, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1002-43-3", - "name": "3-methylundecane", - "iupac_name": "3-methylundecane", - "smiles": "CCCCCCCCC(C)CC", - "inchi": "InChI=1S/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3" - }, - "molarweight": 170.203, - "model_record": { - "m": 4.59616, - "sigma": 4.07712, - "epsilon_k": 265.03999 - } - }, - { - "identifier": { - "cas": "110-38-3", - "name": "decanoic acid ethyl ester", - "iupac_name": "ethyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3" - }, - "molarweight": 200.178, - "model_record": { - "m": 6.19747, - "sigma": 3.71893, - "epsilon_k": 246.30589, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "623-36-9", - "name": "2-methyl-2-pentenal", - "iupac_name": "(e)-2-methylpent-2-enal", - "smiles": "CCC=C(C)C=O", - "inchi": "InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3" - }, - "molarweight": 98.073, - "model_record": { - "m": 17.08586, - "sigma": 1.98844, - "epsilon_k": 139.20819, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "molarweight": 186.198, - "model_record": { - "m": 5.72518, - "sigma": 3.81916, - "epsilon_k": 262.94819, - "kappa_ab": 0.00161, - "epsilon_k_ab": 2967.99239, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "molarweight": 164.006, - "model_record": { - "m": 3.92242, - "sigma": 3.28839, - "epsilon_k": 169.8351 - } - }, - { - "identifier": { - "cas": "230-27-3", - "name": "7,8-benzoquinoline", - "iupac_name": "benzo[h]quinoline", - "smiles": "c1ccc2c(c1)ccc1cccnc12", - "inchi": "InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H" - }, - "molarweight": 179.073, - "model_record": { - "m": 3.68493, - "sigma": 3.95913, - "epsilon_k": 395.13103, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "627-90-7", - "name": "undecanoic acid ethyl ester", - "iupac_name": "ethyl undecanoate", - "smiles": "CCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3" - }, - "molarweight": 214.193, - "model_record": { - "m": 7.26437, - "sigma": 3.59639, - "epsilon_k": 233.66932, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "629-04-9", - "name": "1-bromoheptane", - "iupac_name": "1-bromoheptane", - "smiles": "CCCCCCCBr", - "inchi": "InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3" - }, - "molarweight": 178.036, - "model_record": { - "m": 4.06873, - "sigma": 3.7463, - "epsilon_k": 268.74094, - "mu": 2.16 - } - }, - { - "identifier": { - "cas": "762-62-9", - "name": "4,4-dimethyl-1-pentene", - "iupac_name": "4,4-dimethylpent-1-ene", - "smiles": "C=CCC(C)(C)C", - "inchi": "InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3" - }, - "molarweight": 98.11, - "model_record": { - "m": 2.88984, - "sigma": 3.99143, - "epsilon_k": 244.74101 - } - }, - { - "identifier": { - "cas": "79-38-9", - "name": "chlorotrifluoroethylene", - "iupac_name": "1-chloro-1,2,2-trifluoroethene", - "smiles": "FC(F)=C(F)Cl", - "inchi": "InChI=1S/C2ClF3/c3-1(4)2(5)6" - }, - "molarweight": 115.964, - "model_record": { - "m": 2.55275, - "sigma": 3.37703, - "epsilon_k": 191.75837 - } - }, - { - "identifier": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "molarweight": 84.003, - "model_record": { - "m": 2.39045, - "sigma": 3.54152, - "epsilon_k": 299.898, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "107-29-9", - "name": "acetaldoxime", - "iupac_name": "(ne)-n-ethylidenehydroxylamine", - "smiles": "CC=NO", - "inchi": "InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3" - }, - "molarweight": 59.037, - "model_record": { - "m": 4.22473, - "sigma": 2.68578, - "epsilon_k": 205.65451, - "kappa_ab": 0.20148, - "epsilon_k_ab": 1338.21076, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1632-16-2", - "name": "2-ethyl-1-hexene", - "iupac_name": "3-methylideneheptane", - "smiles": "C=C(CC)CCCC", - "inchi": "InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3" - }, - "molarweight": 112.125, - "model_record": { - "m": 6.26475, - "sigma": 3.14203, - "epsilon_k": 188.73986 - } - }, - { - "identifier": { - "cas": "1132-39-4", - "name": "diphenyl selenide", - "iupac_name": "phenylselanylbenzene", - "smiles": "c1ccc([Se]c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" - }, - "molarweight": 233.995, - "model_record": { - "m": 5.11542, - "sigma": 3.64339, - "epsilon_k": 306.83927 - } - }, - { - "identifier": { - "cas": "629-11-8", - "name": "1,6-hexanediol", - "iupac_name": "hexane-1,6-diol", - "smiles": "OCCCCCCO", - "inchi": "InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2" - }, - "molarweight": 118.099, - "model_record": { - "m": 3.37951, - "sigma": 3.79315, - "epsilon_k": 313.72181, - "kappa_ab": 0.00608, - "epsilon_k_ab": 2549.80916, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "696-71-9", - "name": "cyclooctanol", - "iupac_name": "cyclooctanol", - "smiles": "OC1CCCCCCC1", - "inchi": "InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2" - }, - "molarweight": 128.12, - "model_record": { - "m": 10.85314, - "sigma": 2.52287, - "epsilon_k": 182.03137, - "kappa_ab": 0.0001, - "epsilon_k_ab": 3998.12506, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "molarweight": 99.068, - "model_record": { - "m": 3.22439, - "sigma": 3.50038, - "epsilon_k": 312.79027, - "mu": 4.09, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "98-13-5", - "name": "trichlorophenylsilane", - "iupac_name": "trichloro(phenyl)silane", - "smiles": "Cl[Si](Cl)(Cl)c1ccccc1", - "inchi": "InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 209.923, - "model_record": { - "m": 3.77834, - "sigma": 3.89057, - "epsilon_k": 292.96505, - "mu": 2.41 - } - }, - { - "identifier": { - "cas": "14027-78-2", - "name": "dipentyl adipate", - "iupac_name": "dipentyl hexanedioate", - "smiles": "CCCCCOC(=O)CCCCC(=O)OCCCCC", - "inchi": "InChI=1S/C16H30O4/c1-3-5-9-13-19-15(17)11-7-8-12-16(18)20-14-10-6-4-2/h3-14H2,1-2H3" - }, - "molarweight": 286.214, - "model_record": { - "m": 9.94865, - "sigma": 3.46701, - "epsilon_k": 229.8869, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "583-59-5", - "name": "2-methylcyclohexanol ", - "iupac_name": "2-methylcyclohexan-1-ol", - "smiles": "CC1CCCCC1O", - "inchi": "InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3" - }, - "molarweight": 114.104, - "model_record": { - "m": 2.00747, - "sigma": 4.5, - "epsilon_k": 377.71247, - "kappa_ab": 0.00073, - "epsilon_k_ab": 2857.96046, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "66455-55-8", - "name": "2-butyl-3-hexyldecahydronaphthalene", - "iupac_name": "2-butyl-3-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "CCCCCCC1CC2CCCCC2CC1CCCC", - "inchi": "InChI=1S/C20H38/c1-3-5-7-8-12-18-16-20-14-10-9-13-19(20)15-17(18)11-6-4-2/h17-20H,3-16H2,1-2H3" - }, - "molarweight": 278.297, - "model_record": { - "m": 7.21996, - "sigma": 3.9679, - "epsilon_k": 271.15638 - } - }, - { - "identifier": { - "cas": "90-42-6", - "name": "(1,1'-bicyclohexyl)-2-one", - "iupac_name": "2-cyclohexylcyclohexan-1-one", - "smiles": "O=C1CCCCC1C1CCCCC1", - "inchi": "InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2" - }, - "molarweight": 180.151, - "model_record": { - "m": 4.87135, - "sigma": 3.7745, - "epsilon_k": 292.9591, - "mu": 2.92, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "104-61-0", - "name": "gamma-nonalactone", - "iupac_name": "5-pentyloxolan-2-one", - "smiles": "CCCCCC1CCC(=O)O1", - "inchi": "InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3" - }, - "molarweight": 156.115, - "model_record": { - "m": 4.52819, - "sigma": 3.71779, - "epsilon_k": 311.46748, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "624-24-8", - "name": "methyl valerate", - "iupac_name": "methyl pentanoate", - "smiles": "CCCCC(=O)OC", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3" - }, - "molarweight": 116.084, - "model_record": { - "m": 3.72591, - "sigma": 3.59685, - "epsilon_k": 252.9441, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "molarweight": 52.031, - "model_record": { - "m": 2.54996, - "sigma": 3.29694, - "epsilon_k": 222.7416 - } - }, - { - "identifier": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "molarweight": 113.084, - "model_record": { - "m": 4.07536, - "sigma": 3.3715, - "epsilon_k": 336.76939, - "kappa_ab": 0.01229, - "epsilon_k_ab": 1425.78023, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "106-18-3", - "name": "dodecanoic acid butyl ester", - "iupac_name": "butyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCCCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3" - }, - "molarweight": 256.24, - "model_record": { - "m": 9.02208, - "sigma": 3.56685, - "epsilon_k": 232.33329, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "3074-71-3", - "name": "2,3-dimethylheptane", - "iupac_name": "2,3-dimethylheptane", - "smiles": "CCCCC(C)C(C)C", - "inchi": "InChI=1S/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 3.81174, - "sigma": 3.94908, - "epsilon_k": 250.6705 - } - }, - { - "identifier": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "molarweight": 200.007, - "model_record": { - "m": 4.75824, - "sigma": 3.23666, - "epsilon_k": 181.01353, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1000-63-1", - "name": "butyl tert-butyl ether", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]butane", - "smiles": "CCCCOC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3" - }, - "molarweight": 130.136, - "model_record": { - "m": 4.08226, - "sigma": 3.79345, - "epsilon_k": 232.39197, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "541-31-1", - "name": "3-methyl-1-butanethiol", - "iupac_name": "3-methylbutane-1-thiol", - "smiles": "CC(C)CCS", - "inchi": "InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 104.066, - "model_record": { - "m": 2.60553, - "sigma": 4.03409, - "epsilon_k": 292.28297, - "kappa_ab": 0.03988, - "epsilon_k_ab": 868.45706, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "molarweight": 187.987, - "model_record": { - "m": 3.32385, - "sigma": 3.43936, - "epsilon_k": 153.90597 - } - }, - { - "identifier": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "molarweight": 72.021, - "model_record": { - "m": 1.33998, - "sigma": 4.1931, - "epsilon_k": 329.42843, - "kappa_ab": 0.01854, - "epsilon_k_ab": 2881.10662, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "molarweight": 129.058, - "model_record": { - "m": 3.21692, - "sigma": 3.75564, - "epsilon_k": 354.75915, - "mu": 2.29, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-62-7", - "name": "bromotrichloromethane [r10b1]", - "iupac_name": "bromo(trichloro)methane", - "smiles": "ClC(Cl)(Cl)Br", - "inchi": "InChI=1S/CBrCl3/c2-1(3,4)5" - }, - "molarweight": 195.825, - "model_record": { - "m": 2.19573, - "sigma": 3.90927, - "epsilon_k": 328.03159 - } - }, - { - "identifier": { - "cas": "289-95-2", - "name": "pyrimidine", - "iupac_name": "pyrimidine", - "smiles": "c1cncnc1", - "inchi": "InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H" - }, - "molarweight": 80.037, - "model_record": { - "m": 3.43346, - "sigma": 3.09619, - "epsilon_k": 268.54116, - "mu": 2.34, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "90-14-2", - "name": "1-iodonaphthalene", - "iupac_name": "1-iodonaphthalene", - "smiles": "Ic1cccc2ccccc12", - "inchi": "InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "molarweight": 253.959, - "model_record": { - "m": 5.12148, - "sigma": 3.44441, - "epsilon_k": 309.37334 - } - }, - { - "identifier": { - "cas": "95-46-5", - "name": "2-bromotoluene", - "iupac_name": "1-bromo-2-methylbenzene", - "smiles": "Cc1ccccc1Br", - "inchi": "InChI=1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "molarweight": 169.973, - "model_record": { - "m": 3.25433, - "sigma": 3.71536, - "epsilon_k": 312.95337 - } - }, - { - "identifier": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "molarweight": 94.042, - "model_record": { - "m": 3.55333, - "sigma": 3.27469, - "epsilon_k": 303.75586, - "kappa_ab": 0.00076, - "epsilon_k_ab": 2497.4878, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "molarweight": 224.25, - "model_record": { - "m": 6.46842, - "sigma": 3.953, - "epsilon_k": 257.16335 - } - }, - { - "identifier": { - "cas": "293-96-9", - "name": "cyclodecane", - "iupac_name": "cyclodecane", - "smiles": "C1CCCCCCCCC1", - "inchi": "InChI=1S/C10H20/c1-2-4-6-8-10-9-7-5-3-1/h1-10H2" - }, - "molarweight": 140.157, - "model_record": { - "m": 3.26094, - "sigma": 4.12988, - "epsilon_k": 318.26232 - } - }, - { - "identifier": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "molarweight": 98.073, - "model_record": { - "m": 2.90368, - "sigma": 3.62022, - "epsilon_k": 299.07871, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "594-60-5", - "name": "2,3-dimethyl-2-butanol", - "iupac_name": "2,3-dimethylbutan-2-ol", - "smiles": "CC(C)C(C)(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 2.81532, - "sigma": 3.94841, - "epsilon_k": 275.35173, - "kappa_ab": 0.00074, - "epsilon_k_ab": 2662.17543, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7790-94-5", - "name": "chlorosulfuric acid", - "iupac_name": "sulfurochloridic acid", - "smiles": "O=S(=O)(O)Cl", - "inchi": "InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)" - }, - "molarweight": 115.933, - "model_record": { - "m": 1.42272, - "sigma": 3.92108, - "epsilon_k": 194.6078, - "kappa_ab": 0.00218, - "epsilon_k_ab": 4452.94999, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "690-92-6", - "name": "cis-2,2-dimethyl-3-hexene", - "iupac_name": "(z)-2,2-dimethylhex-3-ene", - "smiles": "CC/C=C\\C(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6-" - }, - "molarweight": 112.125, - "model_record": { - "m": 3.2486, - "sigma": 3.98744, - "epsilon_k": 250.91617 - } - }, - { - "identifier": { - "cas": "22410-44-2", - "name": "methyl perfluoroethyl ether", - "iupac_name": "1,1,1,2,2-pentafluoro-2-methoxyethane", - "smiles": "COC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c1-9-3(7,8)2(4,5)6/h1H3" - }, - "molarweight": 150.01, - "model_record": { - "m": 3.4592, - "sigma": 3.37846, - "epsilon_k": 181.02752, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "513-38-2", - "name": "isobutyl iodide", - "iupac_name": "1-iodo-2-methylpropane", - "smiles": "CC(C)CI", - "inchi": "InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "molarweight": 183.975, - "model_record": { - "m": 2.64978, - "sigma": 3.88999, - "epsilon_k": 301.80785 - } - }, - { - "identifier": { - "cas": "625-58-1", - "name": "ethylnitrate", - "iupac_name": "ethyl nitrate", - "smiles": "CCO[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3" - }, - "molarweight": 91.027, - "model_record": { - "m": 2.94548, - "sigma": 3.32975, - "epsilon_k": 267.70696, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "536-74-3", - "name": "phenylacetylene", - "iupac_name": "ethynylbenzene", - "smiles": "C#Cc1ccccc1", - "inchi": "InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H" - }, - "molarweight": 102.047, - "model_record": { - "m": 3.1651, - "sigma": 3.62216, - "epsilon_k": 291.36052 - } - }, - { - "identifier": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "molarweight": 17.027, - "model_record": { - "m": 2.44608, - "sigma": 2.3709, - "epsilon_k": 213.57063, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "94-28-0", - "name": "triethylene glycol di-(2-ethylhexanoate)", - "iupac_name": "2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate", - "smiles": "CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC", - "inchi": "InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3" - }, - "molarweight": 402.298, - "model_record": { - "m": 14.59692, - "sigma": 3.40083, - "epsilon_k": 215.22598, - "nb": 6.0 - } - }, - { - "identifier": { - "cas": "374-07-2", - "name": "1,1-dichloro tetrafluoro ethane [r114a]", - "iupac_name": "1,1-dichloro-1,2,2,2-tetrafluoroethane", - "smiles": "FC(F)(F)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(4,5)2(6,7)8" - }, - "molarweight": 169.931, - "model_record": { - "m": 2.68124, - "sigma": 3.68922, - "epsilon_k": 206.24136 - } - }, - { - "identifier": { - "cas": "690-08-4", - "name": "trans-4,4-dimethyl-2-pentene", - "iupac_name": "(e)-4,4-dimethylpent-2-ene", - "smiles": "C/C=C/C(C)(C)C", - "inchi": "InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+" - }, - "molarweight": 98.11, - "model_record": { - "m": 3.3141, - "sigma": 3.79482, - "epsilon_k": 230.38515 - } - }, - { - "identifier": { - "cas": "78-01-3", - "name": "1,1-diethylcyclohexane", - "iupac_name": "1,1-diethylcyclohexane", - "smiles": "CCC1(CC)CCCCC1", - "inchi": "InChI=1S/C10H20/c1-3-10(4-2)8-6-5-7-9-10/h3-9H2,1-2H3" - }, - "molarweight": 140.157, - "model_record": { - "m": 4.6805, - "sigma": 3.67948, - "epsilon_k": 248.58161 - } - }, - { - "identifier": { - "cas": "578-54-1", - "name": "2-ethylaniline", - "iupac_name": "2-ethylaniline", - "smiles": "CCc1ccccc1N", - "inchi": "InChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3" - }, - "molarweight": 121.089, - "model_record": { - "m": 4.15058, - "sigma": 3.47357, - "epsilon_k": 260.34656, - "kappa_ab": 0.9, - "epsilon_k_ab": 1128.19806, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "86-28-2", - "name": "9-ethylcarbazole", - "iupac_name": "9-ethylcarbazole", - "smiles": "CCn1c2ccccc2c2ccccc21", - "inchi": "InChI=1S/C14H13N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3" - }, - "molarweight": 195.105, - "model_record": { - "m": 4.77542, - "sigma": 3.78804, - "epsilon_k": 341.28767, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "102013-94-5", - "name": "2,4,6-trimethylhexadecane", - "iupac_name": "2,4,6-trimethylhexadecane", - "smiles": "CCCCCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C19H40/c1-6-7-8-9-10-11-12-13-14-18(4)16-19(5)15-17(2)3/h17-19H,6-16H2,1-5H3" - }, - "molarweight": 268.313, - "model_record": { - "m": 8.94454, - "sigma": 3.73341, - "epsilon_k": 227.39873 - } - }, - { - "identifier": { - "cas": "74-83-9", - "name": "methyl bromide [r40b1]", - "iupac_name": "bromomethane", - "smiles": "CBr", - "inchi": "InChI=1S/CH3Br/c1-2/h1H3" - }, - "molarweight": 93.942, - "model_record": { - "m": 1.9233, - "sigma": 3.31296, - "epsilon_k": 254.43855, - "mu": 1.81 - } - }, - { - "identifier": { - "cas": "77-78-1", - "name": "dimethyl sulfate", - "iupac_name": "dimethyl sulfate", - "smiles": "COS(=O)(=O)OC", - "inchi": "InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3" - }, - "molarweight": 125.999, - "model_record": { - "m": 3.54415, - "sigma": 3.35867, - "epsilon_k": 286.50493, - "mu": 4.08, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "547-63-7", - "name": "2-methylpropanoic acid methyl ester", - "iupac_name": "methyl 2-methylpropanoate", - "smiles": "COC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3" - }, - "molarweight": 102.068, - "model_record": { - "m": 3.57432, - "sigma": 3.46409, - "epsilon_k": 235.90718, - "mu": 1.8, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "molarweight": 88.016, - "model_record": { - "m": 3.28139, - "sigma": 3.09982, - "epsilon_k": 324.99793, - "mu": 4.5, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "131-11-3", - "name": "phthalic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,2-dicarboxylate", - "smiles": "COC(=O)c1ccccc1C(=O)OC", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" - }, - "molarweight": 194.058, - "model_record": { - "m": 4.349, - "sigma": 3.7961, - "epsilon_k": 328.39291, - "mu": 2.78, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "612-00-0", - "name": "1,1-diphenylethane", - "iupac_name": "1-phenylethylbenzene", - "smiles": "CC(c1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3" - }, - "molarweight": 182.11, - "model_record": { - "m": 5.86418, - "sigma": 3.52086, - "epsilon_k": 270.01686 - } - }, - { - "identifier": { - "cas": "102-69-2", - "name": "tripropylamine", - "iupac_name": "n,n-dipropylpropan-1-amine", - "smiles": "CCCN(CCC)CCC", - "inchi": "InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3" - }, - "molarweight": 143.167, - "model_record": { - "m": 3.99243, - "sigma": 3.98881, - "epsilon_k": 252.93432, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7642-09-3", - "name": "cis-3-hexene", - "iupac_name": "(z)-hex-3-ene", - "smiles": "CC/C=C\\CC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-" - }, - "molarweight": 84.094, - "model_record": { - "m": 2.73418, - "sigma": 3.87195, - "epsilon_k": 251.93898 - } - }, - { - "identifier": { - "cas": "933-05-1", - "name": "cyclopentyl acetate", - "iupac_name": "cyclopentyl acetate", - "smiles": "CC(=O)OC1CCCC1", - "inchi": "InChI=1S/C7H12O2/c1-6(8)9-7-4-2-3-5-7/h7H,2-5H2,1H3" - }, - "molarweight": 128.084, - "model_record": { - "m": 4.11073, - "sigma": 3.50532, - "epsilon_k": 255.94038, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "2207-04-7", - "name": "trans-1,4-dimethylcyclohexane", - "iupac_name": "1,4-dimethylcyclohexane", - "smiles": "C[C@H]1CC[C@H](C)CC1", - "inchi": "InChI=1/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8-" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.78307, - "sigma": 4.13972, - "epsilon_k": 285.82244 - } - }, - { - "identifier": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "molarweight": 114.009, - "model_record": { - "m": 2.88557, - "sigma": 3.35657, - "epsilon_k": 175.92411 - } - }, - { - "identifier": { - "cas": "693-58-3", - "name": "1-nonylbromide", - "iupac_name": "1-bromononane", - "smiles": "CCCCCCCCCBr", - "inchi": "InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3" - }, - "molarweight": 206.067, - "model_record": { - "m": 5.10036, - "sigma": 3.70925, - "epsilon_k": 260.15625 - } - }, - { - "identifier": { - "cas": "422-05-9", - "name": "2,2,3,3,3-pentafluoropropanol", - "iupac_name": "2,2,3,3,3-pentafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2" - }, - "molarweight": 150.01, - "model_record": { - "m": 1.55253, - "sigma": 4.5, - "epsilon_k": 318.71048, - "kappa_ab": 0.00052, - "epsilon_k_ab": 2938.58172, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1731-84-6", - "name": "nonanoic acid methyl ester", - "iupac_name": "methyl nonanoate", - "smiles": "CCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3" - }, - "molarweight": 172.146, - "model_record": { - "m": 5.4393, - "sigma": 3.66905, - "epsilon_k": 248.62357, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1081-77-2", - "name": "nonylbenzene", - "iupac_name": "nonylbenzene", - "smiles": "CCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3" - }, - "molarweight": 204.188, - "model_record": { - "m": 5.65331, - "sigma": 3.9043, - "epsilon_k": 274.67771 - } - }, - { - "identifier": { - "cas": "5131-66-8", - "name": "1,2-propylene glycol 1-monobutylether", - "iupac_name": "1-butoxypropan-2-ol", - "smiles": "CCCCOCC(C)O", - "inchi": "InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 132.115, - "model_record": { - "m": 2.3998, - "sigma": 4.5, - "epsilon_k": 322.86201, - "kappa_ab": 0.00044, - "epsilon_k_ab": 2775.91852, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "143-15-7", - "name": "1-bromododecane", - "iupac_name": "1-bromododecane", - "smiles": "CCCCCCCCCCCCBr", - "inchi": "InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3" - }, - "molarweight": 248.114, - "model_record": { - "m": 7.92864, - "sigma": 3.45267, - "epsilon_k": 232.7916, - "mu": 1.86 - } - }, - { - "identifier": { - "cas": "694-59-7", - "name": "pyridine-n-oxide", - "iupac_name": "1-oxidopyridin-1-ium", - "smiles": "[O-][n+]1ccccc1", - "inchi": "InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H" - }, - "molarweight": 95.037, - "model_record": { - "m": 4.08022, - "sigma": 3.04575, - "epsilon_k": 347.44756, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "14686-14-7", - "name": "trans-3-heptene", - "iupac_name": "(e)-hept-3-ene", - "smiles": "CC/C=C/CCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+" - }, - "molarweight": 98.11, - "model_record": { - "m": 3.37267, - "sigma": 3.78115, - "epsilon_k": 241.8643 - } - }, - { - "identifier": { - "cas": "615-81-6", - "name": "diisopropyl oxalate", - "iupac_name": "dipropan-2-yl oxalate", - "smiles": "CC(C)OC(=O)C(=O)OC(C)C", - "inchi": "InChI=1S/C8H14O4/c1-5(2)11-7(9)8(10)12-6(3)4/h5-6H,1-4H3" - }, - "molarweight": 174.089, - "model_record": { - "m": 5.99399, - "sigma": 3.39553, - "epsilon_k": 228.57798, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "563-45-1", - "name": "3-methyl-1-butene", - "iupac_name": "3-methylbut-1-ene", - "smiles": "C=CC(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3" - }, - "molarweight": 70.078, - "model_record": { - "m": 2.47206, - "sigma": 3.7988, - "epsilon_k": 230.41994 - } - }, - { - "identifier": { - "cas": "691-37-2", - "name": "4-methyl-1-pentene", - "iupac_name": "4-methylpent-1-ene", - "smiles": "C=CCC(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" - }, - "molarweight": 84.094, - "model_record": { - "m": 2.81875, - "sigma": 3.84828, - "epsilon_k": 236.7748 - } - }, - { - "identifier": { - "cas": "84-66-2", - "name": "phthalic acid diethyl ester", - "iupac_name": "diethyl benzene-1,2-dicarboxylate", - "smiles": "CCOC(=O)c1ccccc1C(=O)OCC", - "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" - }, - "molarweight": 222.089, - "model_record": { - "m": 6.13936, - "sigma": 3.58305, - "epsilon_k": 277.05822, - "mu": 2.78, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "1732-10-1", - "name": "dimethyl ester nonanedioic acid", - "iupac_name": "dimethyl nonanedioate", - "smiles": "COC(=O)CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3" - }, - "molarweight": 216.136, - "model_record": { - "m": 7.18912, - "sigma": 3.45916, - "epsilon_k": 248.23006, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "21297-65-4", - "name": "2,2,4,4,5,5-hexafluoro-1,3-dioxolane", - "iupac_name": "2,2,4,4,5,5-hexafluoro-1,3-dioxolane", - "smiles": "FC1(F)OC(F)(F)C(F)(F)O1", - "inchi": "InChI=1S/C3F6O2/c4-1(5)2(6,7)11-3(8,9)10-1" - }, - "molarweight": 181.98, - "model_record": { - "m": 3.10928, - "sigma": 3.48854, - "epsilon_k": 170.86521, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "551-62-2", - "name": "1,2,3,4-tetrafluorobenzene", - "iupac_name": "1,2,3,4-tetrafluorobenzene", - "smiles": "Fc1ccc(F)c(F)c1F", - "inchi": "InChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H" - }, - "molarweight": 150.009, - "model_record": { - "m": 3.29631, - "sigma": 3.48002, - "epsilon_k": 250.61995 - } - }, - { - "identifier": { - "cas": "584-94-1", - "name": "2,3-dimethylhexane", - "iupac_name": "2,3-dimethylhexane", - "smiles": "CCCC(C)C(C)C", - "inchi": "InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.43277, - "sigma": 3.94351, - "epsilon_k": 250.15718 - } - }, - { - "identifier": { - "cas": "765-30-0", - "name": "cyclopropylamine", - "iupac_name": "cyclopropanamine", - "smiles": "NC1CC1", - "inchi": "InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2" - }, - "molarweight": 57.058, - "model_record": { - "m": 3.24835, - "sigma": 2.8357, - "epsilon_k": 117.74637, - "kappa_ab": 0.9, - "epsilon_k_ab": 2038.01323, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7452-79-1", - "name": "2-methylbutanoic acid ethyl ester", - "iupac_name": "ethyl 2-methylbutanoate", - "smiles": "CCOC(=O)C(C)CC", - "inchi": "InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3" - }, - "molarweight": 130.099, - "model_record": { - "m": 4.14141, - "sigma": 3.6209, - "epsilon_k": 239.35493, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "3452-09-3", - "name": "1-nonyne", - "iupac_name": "non-1-yne", - "smiles": "C#CCCCCCCC", - "inchi": "InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3" - }, - "molarweight": 124.125, - "model_record": { - "m": 4.1734, - "sigma": 3.74311, - "epsilon_k": 247.64174 - } - }, - { - "identifier": { - "cas": "929-77-1", - "name": "docosanoic acid methyl ester", - "iupac_name": "methyl docosanoate", - "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3" - }, - "molarweight": 354.35, - "model_record": { - "m": 11.73965, - "sigma": 3.65715, - "epsilon_k": 240.15055, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "molarweight": 27.011, - "model_record": { - "m": 2.72334, - "sigma": 2.64506, - "epsilon_k": 170.34538, - "mu": 2.98, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "molarweight": 53.027, - "model_record": { - "m": 2.39589, - "sigma": 3.34511, - "epsilon_k": 225.19945, - "mu": 3.87, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "molarweight": 222.147, - "model_record": { - "m": 7.18702, - "sigma": 3.53037, - "epsilon_k": 243.85232, - "mu": 2.47, - "nb": 5.0 - } - }, - { - "identifier": { - "cas": "115209-60-4", - "name": "2,4-dimethylnonadecane", - "smiles": "CCCCCCCCCCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4)19-20(2)3/h20-21H,5-19H2,1-4H3" - }, - "molarweight": 296.344, - "model_record": { - "m": 12.19959, - "sigma": 3.46156, - "epsilon_k": 212.06877 - } - }, - { - "identifier": { - "cas": "17312-80-0", - "name": "2,4-dimethylundecane", - "iupac_name": "2,4-dimethylundecane", - "smiles": "CCCCCCCC(C)CC(C)C", - "inchi": "InChI=1S/C13H28/c1-5-6-7-8-9-10-13(4)11-12(2)3/h12-13H,5-11H2,1-4H3" - }, - "molarweight": 184.219, - "model_record": { - "m": 5.67293, - "sigma": 3.87685, - "epsilon_k": 241.47393 - } - }, - { - "identifier": { - "cas": "54-11-5", - "name": "l-nicotine", - "iupac_name": "3-[(2s)-1-methylpyrrolidin-2-yl]pyridine", - "smiles": "CN1CCC[C@H]1c1cccnc1", - "inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1" - }, - "molarweight": 162.116, - "model_record": { - "m": 4.23399, - "sigma": 3.77392, - "epsilon_k": 304.96567, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "10102-44-0", - "name": "nitrogen dioxide", - "smiles": "[O]N=O", - "inchi": "InChI=1S/NO2/c2-1-3" - }, - "molarweight": 45.993, - "model_record": { - "m": 5.4723, - "sigma": 1.9, - "epsilon_k": 168.28084, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "994-65-0", - "name": "tetrapropylgermane", - "iupac_name": "tetrapropylgermane", - "smiles": "CCC[Ge](CCC)(CCC)CCC", - "inchi": "InChI=1S/C12H28Ge/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3" - }, - "molarweight": 246.14, - "model_record": { - "m": 5.89559, - "sigma": 3.90291, - "epsilon_k": 241.05822 - } - }, - { - "identifier": { - "cas": "90-15-3", - "name": "1-naphthol", - "iupac_name": "naphthalen-1-ol", - "smiles": "Oc1cccc2ccccc12", - "inchi": "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" - }, - "molarweight": 144.058, - "model_record": { - "m": 4.44105, - "sigma": 3.41857, - "epsilon_k": 330.16927, - "kappa_ab": 0.0001, - "epsilon_k_ab": 200.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "539-30-0", - "name": "benzyl ethyl ether", - "iupac_name": "ethoxymethylbenzene", - "smiles": "CCOCc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3" - }, - "molarweight": 136.089, - "model_record": { - "m": 4.16297, - "sigma": 3.61903, - "epsilon_k": 273.55042, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "54964-83-9", - "name": "1,4-dimethyl-5-octyldecahydronaphthalene", - "iupac_name": "1,4-dimethyl-5-octyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "CCCCCCCCC1CCCC2C(C)CCC(C)C12", - "inchi": "InChI=1S/C20H38/c1-4-5-6-7-8-9-11-18-12-10-13-19-16(2)14-15-17(3)20(18)19/h16-20H,4-15H2,1-3H3" - }, - "molarweight": 278.297, - "model_record": { - "m": 6.37881, - "sigma": 4.14794, - "epsilon_k": 287.65957 - } - }, - { - "identifier": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "molarweight": 237.984, - "model_record": { - "m": 3.75759, - "sigma": 3.56412, - "epsilon_k": 163.97853 - } - }, - { - "identifier": { - "cas": "62016-37-9", - "name": "2,4,6-trimethyloctane", - "iupac_name": "2,4,6-trimethyloctane", - "smiles": "CCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C11H24/c1-6-10(4)8-11(5)7-9(2)3/h9-11H,6-8H2,1-5H3" - }, - "molarweight": 156.188, - "model_record": { - "m": 4.7027, - "sigma": 3.90943, - "epsilon_k": 238.88753 - } - }, - { - "identifier": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "molarweight": 48.038, - "model_record": { - "m": 2.19738, - "sigma": 3.23073, - "epsilon_k": 191.00084, - "mu": 1.94 - } - }, - { - "identifier": { - "cas": "631-36-7", - "name": "tetraethylsilane", - "iupac_name": "tetraethylsilane", - "smiles": "CC[Si](CC)(CC)CC", - "inchi": "InChI=1S/C8H20Si/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3" - }, - "molarweight": 144.133, - "model_record": { - "m": 3.76129, - "sigma": 4.07332, - "epsilon_k": 259.00747 - } - }, - { - "identifier": { - "cas": "1003-38-9", - "name": "2,5-dimethyltetrahydrofuran", - "iupac_name": "2,5-dimethyloxolane", - "smiles": "CC1CCC(C)O1", - "inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3" - }, - "molarweight": 100.089, - "model_record": { - "m": 2.94283, - "sigma": 3.77423, - "epsilon_k": 261.28875, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "79-04-9", - "name": "chloroacetyl chloride", - "iupac_name": "2-chloroacetyl chloride", - "smiles": "O=C(Cl)CCl", - "inchi": "InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2" - }, - "molarweight": 111.948, - "model_record": { - "m": 3.54927, - "sigma": 3.08318, - "epsilon_k": 250.59059, - "mu": 2.23, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-55-4", - "name": "tetrahydropyran-2,6-dione", - "iupac_name": "oxane-2,6-dione", - "smiles": "O=C1CCCC(=O)O1", - "inchi": "InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2" - }, - "molarweight": 114.032, - "model_record": { - "m": 4.11487, - "sigma": 3.17035, - "epsilon_k": 353.91708, - "nb": 3.0 - } - }, - { - "identifier": { - "cas": "638-04-0", - "name": "cis-1,3-dimethyl cyclohexane", - "iupac_name": "(1r,3s)-1,3-dimethylcyclohexane", - "smiles": "C[C@@H]1CCC[C@H](C)C1", - "inchi": "InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.91375, - "sigma": 4.06102, - "epsilon_k": 282.12994 - } - }, - { - "identifier": { - "cas": "7783-77-9", - "name": "molybdenum hexafluoride", - "iupac_name": "hexafluoromolybdenum", - "smiles": "[F-].[F-].[F-].[F-].[F-].[F-].[Mo+6]", - "inchi": "InChI=1S/6FH.Mo/h6*1H;/q;;;;;;+6/p-6" - }, - "molarweight": 211.896, - "model_record": { - "m": 2.71801, - "sigma": 3.3792, - "epsilon_k": 235.68763 - } - }, - { - "identifier": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "molarweight": 138.141, - "model_record": { - "m": 3.04287, - "sigma": 4.18444, - "epsilon_k": 319.77343 - } - }, - { - "identifier": { - "cas": "99916-30-0", - "name": "n,n-dimethyl-2-pentyl-1-nonanamine", - "iupac_name": "n,n-dimethyl-2-pentylnonan-1-amine", - "smiles": "CCCCCCCC(CCCCC)CN(C)C", - "inchi": "InChI=1S/C16H35N/c1-5-7-9-10-12-14-16(15-17(3)4)13-11-8-6-2/h16H,5-15H2,1-4H3" - }, - "molarweight": 241.277, - "model_record": { - "m": 6.85322, - "sigma": 3.93834, - "epsilon_k": 246.47036, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "771-56-2", - "name": "2,3,4,5,6-pentafluorotoluene", - "iupac_name": "1,2,3,4,5-pentafluoro-6-methylbenzene", - "smiles": "Cc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3" - }, - "molarweight": 182.015, - "model_record": { - "m": 3.84448, - "sigma": 3.51167, - "epsilon_k": 242.33665 - } - }, - { - "identifier": { - "cas": "2998-08-5", - "name": "sec-butylacrylate", - "iupac_name": "butan-2-yl prop-2-enoate", - "smiles": "C=CC(=O)OC(C)CC", - "inchi": "InChI=1S/C7H12O2/c1-4-6(3)9-7(8)5-2/h5-6H,2,4H2,1,3H3" - }, - "molarweight": 128.084, - "model_record": { - "m": 2.67638, - "sigma": 4.17861, - "epsilon_k": 310.42335, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "513-44-0", - "name": "iso-butylmercaptan", - "iupac_name": "2-methylpropane-1-thiol", - "smiles": "CC(C)CS", - "inchi": "InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "molarweight": 90.05, - "model_record": { - "m": 2.62846, - "sigma": 3.7927, - "epsilon_k": 277.90311, - "kappa_ab": 0.00164, - "epsilon_k_ab": 1061.79222, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "25163-52-4", - "name": "5-methyldocosane", - "smiles": "CCCCCCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C23H48/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-7-5-2/h23H,4-22H2,1-3H3" - }, - "molarweight": 324.376, - "model_record": { - "m": 9.01707, - "sigma": 3.99215, - "epsilon_k": 254.83602 - } - }, - { - "identifier": { - "cas": "55-18-5", - "name": "n-ethyl-n-nitroso ethanamine", - "iupac_name": "n,n-diethylnitrous amide", - "smiles": "CCN(CC)N=O", - "inchi": "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3" - }, - "molarweight": 102.079, - "model_record": { - "m": 3.64979, - "sigma": 3.45216, - "epsilon_k": 293.04664, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "6418-43-5", - "name": "3-methylhexadecane", - "iupac_name": "3-methylhexadecane", - "smiles": "CCCCCCCCCCCCCC(C)CC", - "inchi": "InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,4-16H2,1-3H3" - }, - "molarweight": 240.282, - "model_record": { - "m": 7.10913, - "sigma": 3.92049, - "epsilon_k": 250.63762 - } - }, - { - "identifier": { - "cas": "1647-16-1", - "name": "1,9-decadiene", - "iupac_name": "deca-1,9-diene", - "smiles": "C=CCCCCCCC=C", - "inchi": "InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2" - }, - "molarweight": 138.141, - "model_record": { - "m": 4.91623, - "sigma": 3.67236, - "epsilon_k": 234.35031 - } - }, - { - "identifier": { - "cas": "630-20-6", - "name": "1,1,1,2-tetrachloroethane [r130a]", - "iupac_name": "1,1,1,2-tetrachloroethane", - "smiles": "ClCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2" - }, - "molarweight": 165.891, - "model_record": { - "m": 2.87948, - "sigma": 3.70282, - "epsilon_k": 297.22657, - "mu": 1.29 - } - }, - { - "identifier": { - "cas": "2207-03-6", - "name": "trans-1,3-dimethyl cyclohexane", - "iupac_name": "(1r,3r)-1,3-dimethylcyclohexane", - "smiles": "C[C@H]1CCC[C@H](C)C1", - "inchi": "InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1" - }, - "molarweight": 112.125, - "model_record": { - "m": 2.53693, - "sigma": 4.25073, - "epsilon_k": 304.4257 - } - }, - { - "identifier": { - "cas": "10061-01-5", - "name": "cis-1,3-dichloro-1-propene", - "iupac_name": "(z)-1,3-dichloroprop-1-ene", - "smiles": "Cl/C=C\\CCl", - "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-" - }, - "molarweight": 109.969, - "model_record": { - "m": 2.78101, - "sigma": 3.52289, - "epsilon_k": 284.90215, - "mu": 1.79 - } - }, - { - "identifier": { - "cas": "25117-36-6", - "name": "5-methyleicosane", - "iupac_name": "5-methylicosane", - "smiles": "CCCCCCCCCCCCCCCC(C)CCCC", - "inchi": "InChI=1S/C21H44/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-7-5-2/h21H,4-20H2,1-3H3" - }, - "molarweight": 296.344, - "model_record": { - "m": 8.39054, - "sigma": 3.97055, - "epsilon_k": 254.0777 - } - }, - { - "identifier": { - "cas": "592-27-8", - "name": "2-methylheptane", - "iupac_name": "2-methylheptane", - "smiles": "CCCCCC(C)C", - "inchi": "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 3.67088, - "sigma": 3.88394, - "epsilon_k": 242.29289 - } - }, - { - "identifier": { - "cas": "124-73-2", - "name": "1,2-dibromotetrafluoroethane", - "iupac_name": "1,2-dibromo-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Br)C(F)(F)Br", - "inchi": "InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8" - }, - "molarweight": 257.83, - "model_record": { - "m": 2.72195, - "sigma": 3.79323, - "epsilon_k": 238.22957 - } - }, - { - "identifier": { - "cas": "110-89-4", - "name": "piperidine", - "iupac_name": "piperidine", - "smiles": "C1CCNCC1", - "inchi": "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2" - }, - "molarweight": 85.089, - "model_record": { - "m": 2.61685, - "sigma": 3.7246, - "epsilon_k": 291.63502, - "kappa_ab": 0.01234, - "epsilon_k_ab": 1043.08819, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "55282-13-8", - "name": "5,14-dibutyloctadecane", - "iupac_name": "5,14-dibutyloctadecane", - "smiles": "CCCCC(CCCC)CCCCCCCCC(CCCC)CCCC", - "inchi": "InChI=1S/C26H54/c1-5-9-19-25(20-10-6-2)23-17-15-13-14-16-18-24-26(21-11-7-3)22-12-8-4/h25-26H,5-24H2,1-4H3" - }, - "molarweight": 366.423, - "model_record": { - "m": 9.49068, - "sigma": 4.07411, - "epsilon_k": 255.43755 - } - }, - { - "identifier": { - "cas": "354-58-5", - "name": "1,1,1-trichloro-2,2,2-trifluoro ethane [r113a]", - "iupac_name": "1,1,1-trichloro-2,2,2-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,5)2(6,7)8" - }, - "molarweight": 185.902, - "model_record": { - "m": 2.73686, - "sigma": 3.77704, - "epsilon_k": 236.46641 - } - }, - { - "identifier": { - "cas": "4292-75-5", - "name": "hexylcyclohexane", - "iupac_name": "hexylcyclohexane", - "smiles": "CCCCCCC1CCCCC1", - "inchi": "InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3" - }, - "molarweight": 168.188, - "model_record": { - "m": 4.50983, - "sigma": 4.00147, - "epsilon_k": 276.55133 - } - }, - { - "identifier": { - "cas": "95-87-4", - "name": "2,5-dimethylphenol", - "iupac_name": "2,5-dimethylphenol", - "smiles": "Cc1ccc(C)c(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3" - }, - "molarweight": 122.073, - "model_record": { - "m": 2.21715, - "sigma": 4.16263, - "epsilon_k": 218.51135, - "kappa_ab": 0.05809, - "epsilon_k_ab": 3815.9284, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "50807-74-4", - "name": "1,1,1,2,2,-pentafluoro-3-(1,1,2,2-tetrafluoroethoxy) propane", - "iupac_name": "1,1,1,2,2-pentafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5H3F9O/c6-2(7)4(10,11)15-1-3(8,9)5(12,13)14/h2H,1H2" - }, - "molarweight": 250.004, - "model_record": { - "m": 5.05078, - "sigma": 3.38909, - "epsilon_k": 180.66796, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "622-39-9", - "name": "2-propylpyridine", - "iupac_name": "2-propylpyridine", - "smiles": "CCCc1ccccn1", - "inchi": "InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3" - }, - "molarweight": 121.089, - "model_record": { - "m": 3.59754, - "sigma": 3.69645, - "epsilon_k": 285.72078, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "18435-20-6", - "name": "2,3-dimethyltridecane", - "iupac_name": "2,3-dimethyltridecane", - "smiles": "CCCCCCCCCCC(C)C(C)C", - "inchi": "InChI=1S/C15H32/c1-5-6-7-8-9-10-11-12-13-15(4)14(2)3/h14-15H,5-13H2,1-4H3" - }, - "molarweight": 212.25, - "model_record": { - "m": 5.56484, - "sigma": 4.09433, - "epsilon_k": 265.68219 - } - }, - { - "identifier": { - "cas": "1070-87-7", - "name": "2,2,4,4-tetramethylpentane", - "iupac_name": "2,2,4,4-tetramethylpentane", - "smiles": "CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 3.23856, - "sigma": 4.1762, - "epsilon_k": 259.96116 - } - }, - { - "identifier": { - "cas": "55000-56-1", - "name": "2-butyl-3-hexylnaphthalene", - "iupac_name": "2-butyl-3-hexylnaphthalene", - "smiles": "CCCCCCc1cc2ccccc2cc1CCCC", - "inchi": "InChI=1S/C20H28/c1-3-5-7-8-12-18-16-20-14-10-9-13-19(20)15-17(18)11-6-4-2/h9-10,13-16H,3-8,11-12H2,1-2H3" - }, - "molarweight": 268.219, - "model_record": { - "m": 6.67505, - "sigma": 3.96247, - "epsilon_k": 294.46499 - } - }, - { - "identifier": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "smiles": "Fc1ccc(F)cc1", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "molarweight": 114.028, - "model_record": { - "m": 2.96517, - "sigma": 3.5154, - "epsilon_k": 263.29915 - } - }, - { - "identifier": { - "cas": "103392-36-5", - "name": "2,4,6-trimethyltridecane", - "smiles": "CCCCCCCC(C)CC(C)CC(C)C", - "inchi": "InChI=1S/C16H34/c1-6-7-8-9-10-11-15(4)13-16(5)12-14(2)3/h14-16H,6-13H2,1-5H3" - }, - "molarweight": 226.266, - "model_record": { - "m": 7.50338, - "sigma": 3.74566, - "epsilon_k": 225.16071 - } - }, - { - "identifier": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "molarweight": 74.037, - "model_record": { - "m": 2.99161, - "sigma": 3.25305, - "epsilon_k": 235.44098, - "mu": 1.93, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "105-30-6", - "name": "2-methyl-1-pentanol", - "iupac_name": "2-methylpentan-1-ol", - "smiles": "CCCC(C)CO", - "inchi": "InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 4.85376, - "sigma": 3.25213, - "epsilon_k": 217.31037, - "kappa_ab": 0.03599, - "epsilon_k_ab": 1942.15829, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "367-11-3", - "name": "1,2-difluorobenzene", - "iupac_name": "1,2-difluorobenzene", - "smiles": "Fc1ccccc1F", - "inchi": "InChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "molarweight": 114.028, - "model_record": { - "m": 2.88704, - "sigma": 3.56184, - "epsilon_k": 263.65695, - "mu": 2.51 - } - }, - { - "identifier": { - "cas": "122-39-4", - "name": "diphenylamine", - "iupac_name": "n-phenylaniline", - "smiles": "c1ccc(Nc2ccccc2)cc1", - "inchi": "InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" - }, - "molarweight": 169.089, - "model_record": { - "m": 2.52788, - "sigma": 4.44856, - "epsilon_k": 407.71616, - "kappa_ab": 0.03372, - "epsilon_k_ab": 2471.88495, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "627-20-3", - "name": "cis-2-pentene", - "iupac_name": "(z)-pent-2-ene", - "smiles": "C/C=C\\CC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-" - }, - "molarweight": 70.078, - "model_record": { - "m": 2.6404, - "sigma": 3.68875, - "epsilon_k": 236.49912 - } - }, - { - "identifier": { - "cas": "591-47-9", - "name": "4-methylcyclohexene", - "iupac_name": "4-methylcyclohexene", - "smiles": "CC1CC=CCC1", - "inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3" - }, - "molarweight": 96.094, - "model_record": { - "m": 1.98782, - "sigma": 4.3506, - "epsilon_k": 338.26484 - } - }, - { - "identifier": { - "cas": "5194-51-4", - "name": "trans,trans-2,4-hexadiene", - "iupac_name": "(2e,4e)-hexa-2,4-diene", - "smiles": "C/C=C/C=C/C", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+" - }, - "molarweight": 82.078, - "model_record": { - "m": 3.02676, - "sigma": 3.66496, - "epsilon_k": 251.30399 - } - }, - { - "identifier": { - "cas": "57-14-7", - "name": "1,1-dimethylhydrazine", - "iupac_name": "1,1-dimethylhydrazine", - "smiles": "CN(C)N", - "inchi": "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3" - }, - "molarweight": 60.069, - "model_record": { - "m": 5.129, - "sigma": 2.56074, - "epsilon_k": 130.85909, - "kappa_ab": 0.72037, - "epsilon_k_ab": 1426.54326, - "na": 1.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "16747-30-1", - "name": "2,4,4-trimethylhexane", - "iupac_name": "2,4,4-trimethylhexane", - "smiles": "CCC(C)(C)CC(C)C", - "inchi": "InChI=1S/C9H20/c1-6-9(4,5)7-8(2)3/h8H,6-7H2,1-5H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 3.44197, - "sigma": 4.08813, - "epsilon_k": 257.53965 - } - }, - { - "identifier": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "molarweight": 84.094, - "model_record": { - "m": 2.83582, - "sigma": 3.77953, - "epsilon_k": 252.78743 - } - }, - { - "identifier": { - "cas": "1187-03-7", - "name": "tetraethylurea", - "iupac_name": "1,1,3,3-tetraethylurea", - "smiles": "CCN(CC)C(=O)N(CC)CC", - "inchi": "InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3" - }, - "molarweight": 172.158, - "model_record": { - "m": 7.11008, - "sigma": 3.2731, - "epsilon_k": 210.75338, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "molarweight": 102.068, - "model_record": { - "m": 3.72003, - "sigma": 3.43834, - "epsilon_k": 227.83831, - "mu": 1.75, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "624-22-6", - "name": "2-methyl-1-hexanol", - "iupac_name": "2-methylhexan-1-ol", - "smiles": "CCCCC(C)CO", - "inchi": "InChI=1S/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3" - }, - "molarweight": 116.12, - "model_record": { - "m": 3.06366, - "sigma": 3.64828, - "epsilon_k": 115.06955, - "kappa_ab": 0.04465, - "epsilon_k_ab": 4558.99446, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "110-53-2", - "name": "1-bromopentane", - "iupac_name": "1-bromopentane", - "smiles": "CCCCCBr", - "inchi": "InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "molarweight": 150.004, - "model_record": { - "m": 2.53246, - "sigma": 4.06116, - "epsilon_k": 311.06718, - "mu": 2.2 - } - }, - { - "identifier": { - "cas": "583-61-9", - "name": "2,3-dimethylpyridine", - "iupac_name": "2,3-dimethylpyridine", - "smiles": "Cc1cccnc1C", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3" - }, - "molarweight": 107.073, - "model_record": { - "m": 3.33875, - "sigma": 3.60308, - "epsilon_k": 293.64986, - "mu": 2.07, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "molarweight": 86.11, - "model_record": { - "m": 2.89666, - "sigma": 3.85139, - "epsilon_k": 239.88093 - } - }, - { - "identifier": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "molarweight": 102.104, - "model_record": { - "m": 3.90467, - "sigma": 3.5498, - "epsilon_k": 221.68777, - "mu": 1.2, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "693-89-0", - "name": "1-methyl cyclopentene", - "iupac_name": "1-methylcyclopentene", - "smiles": "CC1=CCCC1", - "inchi": "InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3" - }, - "molarweight": 82.078, - "model_record": { - "m": 2.74654, - "sigma": 3.68159, - "epsilon_k": 262.00979 - } - }, - { - "identifier": { - "cas": "29118-25-0", - "name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C\\C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1-" - }, - "molarweight": 114.009, - "model_record": { - "m": 3.20583, - "sigma": 3.27057, - "epsilon_k": 194.84122 - } - }, - { - "identifier": { - "cas": "597-63-7", - "name": "tetraethylgermane", - "iupac_name": "tetraethylgermane", - "smiles": "CC[Ge](CC)(CC)CC", - "inchi": "InChI=1S/C8H20Ge/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3" - }, - "molarweight": 190.078, - "model_record": { - "m": 3.18893, - "sigma": 4.35286, - "epsilon_k": 291.20953 - } - }, - { - "identifier": { - "cas": "126-71-6", - "name": "triisobutyl phosphate", - "iupac_name": "tris(2-methylpropyl) phosphate", - "smiles": "CC(C)COP(=O)(OCC(C)C)OCC(C)C", - "inchi": "InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3" - }, - "molarweight": 266.165, - "model_record": { - "m": 5.9554, - "sigma": 4.00632, - "epsilon_k": 261.3928, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "7553-56-2", - "name": "iodine", - "iupac_name": "molecular iodine", - "smiles": "II", - "inchi": "InChI=1S/I2/c1-2" - }, - "molarweight": 253.809, - "model_record": { - "m": 2.02474, - "sigma": 3.50445, - "epsilon_k": 443.64679 - } - }, - { - "identifier": { - "cas": "10075-38-4", - "name": "cis-1,3-dichloro-2-butene", - "iupac_name": "(z)-1,3-dichlorobut-2-ene", - "smiles": "C/C(Cl)=C/CCl", - "inchi": "InChI=1S/C4H6Cl2/c1-4(6)2-3-5/h2H,3H2,1H3/b4-2-" - }, - "molarweight": 123.985, - "model_record": { - "m": 2.93893, - "sigma": 3.67459, - "epsilon_k": 290.80849, - "mu": 2.15 - } - }, - { - "identifier": { - "cas": "111-34-2", - "name": "butyl vinyl ether", - "iupac_name": "1-ethenoxybutane", - "smiles": "C=COCCCC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3" - }, - "molarweight": 100.089, - "model_record": { - "m": 3.4919, - "sigma": 3.62248, - "epsilon_k": 238.02017, - "mu": 1.25, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "10210-64-7", - "name": "bis(acetylacetonato)beryllium(ii)", - "iupac_name": "beryllium;(z)-4-oxopent-2-en-2-olate", - "smiles": "CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Be+2]", - "inchi": "InChI=1S/2C5H8O2.Be/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;" - }, - "molarweight": 207.101, - "model_record": { - "m": 6.13034, - "sigma": 3.50934, - "epsilon_k": 272.01924, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "1003-73-2", - "name": "3-picoline-n-oxide", - "iupac_name": "3-methyl-1-oxidopyridin-1-ium", - "smiles": "Cc1ccc[n+]([O-])c1", - "inchi": "InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3" - }, - "molarweight": 109.053, - "model_record": { - "m": 1.86628, - "sigma": 4.27713, - "epsilon_k": 550.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "605-01-6", - "name": "pentaethylbenzene", - "iupac_name": "1,2,3,4,5-pentaethylbenzene", - "smiles": "CCc1cc(CC)c(CC)c(CC)c1CC", - "inchi": "InChI=1S/C16H26/c1-6-12-11-13(7-2)15(9-4)16(10-5)14(12)8-3/h11H,6-10H2,1-5H3" - }, - "molarweight": 218.203, - "model_record": { - "m": 5.01572, - "sigma": 4.09349, - "epsilon_k": 288.23804 - } - }, - { - "identifier": { - "cas": "1678-98-4", - "name": "(2-methylpropyl)-cyclohexane", - "iupac_name": "2-methylpropylcyclohexane", - "smiles": "CC(C)CC1CCCCC1", - "inchi": "InChI=1S/C10H20/c1-9(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3" - }, - "molarweight": 140.157, - "model_record": { - "m": 3.70494, - "sigma": 4.01862, - "epsilon_k": 274.48446 - } - }, - { - "identifier": { - "cas": "7289-52-3", - "name": "decyl methyl ether", - "iupac_name": "1-methoxydecane", - "smiles": "CCCCCCCCCCOC", - "inchi": "InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3" - }, - "molarweight": 172.183, - "model_record": { - "m": 5.45343, - "sigma": 3.77925, - "epsilon_k": 246.99503, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "1795-15-9", - "name": "1-cyclohexyloctane", - "iupac_name": "octylcyclohexane", - "smiles": "CCCCCCCCC1CCCCC1", - "inchi": "InChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3" - }, - "molarweight": 196.219, - "model_record": { - "m": 5.14602, - "sigma": 4.03342, - "epsilon_k": 277.80431 - } - }, - { - "identifier": { - "cas": "106-19-4", - "name": "dipropyl adipate", - "iupac_name": "dipropyl hexanedioate", - "smiles": "CCCOC(=O)CCCCC(=O)OCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3" - }, - "molarweight": 230.152, - "model_record": { - "m": 6.74965, - "sigma": 3.65092, - "epsilon_k": 254.92813, - "nb": 4.0 - } - }, - { - "identifier": { - "cas": "53772-78-4", - "name": "difluorobis(trifluoromethoxy)methane", - "iupac_name": "difluoro-bis(trifluoromethoxy)methane", - "smiles": "FC(F)(F)OC(F)(F)OC(F)(F)F", - "inchi": "InChI=1S/C3F8O2/c4-1(5,6)12-3(10,11)13-2(7,8)9" - }, - "molarweight": 219.977, - "model_record": { - "m": 3.96445, - "sigma": 3.41116, - "epsilon_k": 155.48554, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "425-82-1", - "name": "hexafluorooxetane", - "iupac_name": "2,2,3,3,4,4-hexafluorooxetane", - "smiles": "FC1(F)OC(F)(F)C1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(5)2(6,7)10-3(1,8)9" - }, - "molarweight": 165.985, - "model_record": { - "m": 3.34601, - "sigma": 3.30559, - "epsilon_k": 160.92272, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "13450-90-3", - "name": "gallium trichloride", - "iupac_name": "trichlorogallane", - "smiles": "[Cl-].[Cl-].[Cl-].[Ga+3]", - "inchi": "InChI=1S/3ClH.Ga/h3*1H;/q;;;+3/p-3" - }, - "molarweight": 173.832, - "model_record": { - "m": 3.18028, - "sigma": 3.32436, - "epsilon_k": 274.301, - "mu": 5.1 - } - }, - { - "identifier": { - "cas": "1649-08-7", - "name": "1,2-dichloro-1,1-difluoroethane [r132b]", - "iupac_name": "1,2-dichloro-1,1-difluoroethane", - "smiles": "FC(F)(Cl)CCl", - "inchi": "InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2" - }, - "molarweight": 133.95, - "model_record": { - "m": 2.98932, - "sigma": 3.41457, - "epsilon_k": 230.3465 - } - }, - { - "identifier": { - "cas": "594-83-2", - "name": "2,3,3-trimethyl-2-butanol", - "iupac_name": "2,3,3-trimethylbutan-2-ol", - "smiles": "CC(C)(C)C(C)(C)O", - "inchi": "InChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3" - }, - "molarweight": 116.12, - "model_record": { - "m": 3.36363, - "sigma": 3.84237, - "epsilon_k": 251.91321, - "kappa_ab": 0.01392, - "epsilon_k_ab": 1774.62555, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "765-43-5", - "name": "cyclopropyl methyl ketone", - "iupac_name": "1-cyclopropylethanone", - "smiles": "CC(=O)C1CC1", - "inchi": "InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3" - }, - "molarweight": 84.058, - "model_record": { - "m": 2.83146, - "sigma": 3.54726, - "epsilon_k": 289.89884, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "421-58-9", - "name": "(trifluoromethyl)phosphonous dichloride", - "iupac_name": "dichloro(trifluoromethyl)phosphane", - "smiles": "FC(F)(F)P(Cl)Cl", - "inchi": "InChI=1S/CCl2F3P/c2-7(3)1(4,5)6" - }, - "molarweight": 169.907, - "model_record": { - "m": 2.41179, - "sigma": 3.85678, - "epsilon_k": 251.21405 - } - }, - { - "identifier": { - "cas": "765-85-5", - "name": "methyl cyclobutanecarboxylate", - "iupac_name": "methyl cyclobutanecarboxylate", - "smiles": "COC(=O)C1CCC1", - "inchi": "InChI=1S/C6H10O2/c1-8-6(7)5-3-2-4-5/h5H,2-4H2,1H3" - }, - "molarweight": 114.068, - "model_record": { - "m": 3.81207, - "sigma": 3.43969, - "epsilon_k": 256.7895, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1450-14-2", - "name": "hexamethyldisilane", - "iupac_name": "trimethyl(trimethylsilyl)silane", - "smiles": "C[Si](C)(C)[Si](C)(C)C", - "inchi": "InChI=1S/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3" - }, - "molarweight": 146.095, - "model_record": { - "m": 3.55018, - "sigma": 4.2006, - "epsilon_k": 238.19937 - } - }, - { - "identifier": { - "cas": "2568-90-3", - "name": "dibutoxymethane", - "iupac_name": "1-(butoxymethoxy)butane", - "smiles": "CCCCOCOCCCC", - "inchi": "InChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3" - }, - "molarweight": 160.146, - "model_record": { - "m": 4.76082, - "sigma": 3.78343, - "epsilon_k": 245.26317, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "1795-09-1", - "name": "2-methyl-thiacyclopentane", - "iupac_name": "2-methylthiolane", - "smiles": "CC1CCCS1", - "inchi": "InChI=1S/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "molarweight": 102.05, - "model_record": { - "m": 2.76704, - "sigma": 3.75411, - "epsilon_k": 306.5766, - "nb": 1.0 - } - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/gc_substances.json b/parameters_old/pcsaft/gc_substances.json deleted file mode 100644 index 4f84d14ee..000000000 --- a/parameters_old/pcsaft/gc_substances.json +++ /dev/null @@ -1,2466 +0,0 @@ -[ - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "segments": [ - "CH3", - "OH" - ] - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3", - "formula": "C2H6O" - }, - "segments": [ - "CH3", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", - "formula": "C4H10O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", - "formula": "C6H14O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3", - "formula": "C7H16O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", - "formula": "C8H18O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", - "formula": "C9H20O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "OH" - ] - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3", - "formula": "C3H8O" - }, - "segments": [ - "CH3", - ">CH", - "OH", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 1, - 3 - ] - ] - }, - { - "identifier": { - "cas": "75-85-4", - "name": "2-methyl-2-butanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3", - "formula": "C5H12O" - }, - "segments": [ - "CH3", - "CH2", - ">C<", - "CH3", - "CH3", - "OH" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 2, - 4 - ], - [ - 2, - 5 - ] - ] - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1/CH5N/c1-2/h2H2,1H3", - "formula": "CH5N" - }, - "segments": [ - "CH3", - "NH2" - ] - }, - { - "identifier": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1/C2H7N/c1-2-3/h2-3H2,1H3", - "formula": "C2H7N" - }, - "segments": [ - "CH3", - "CH2", - "NH2" - ] - }, - { - "identifier": { - "cas": "107-10-8", - "name": "1-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1/C3H9N/c1-2-3-4/h2-4H2,1H3", - "formula": "C3H9N" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "NH2" - ] - }, - { - "identifier": { - "cas": "75-31-0", - "name": "2-propylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1/C3H9N/c1-3(2)4/h3H,4H2,1-2H3", - "formula": "C3H9N" - }, - "segments": [ - "CH3", - ">CH", - "CH3", - "NH2" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 1, - 3 - ] - ] - }, - { - "identifier": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2", - "formula": "C6H7N" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "NH2" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 0, - 5 - ], - [ - 5, - 6 - ] - ] - }, - { - "identifier": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(O)=O", - "inchi": "InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/f/h3H", - "formula": "C2H4O2" - }, - "segments": [ - "HCOO", - "CH3" - ] - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1/C2H6/c1-2/h1-2H3", - "formula": "C2H6" - }, - "segments": [ - "CH3", - "CH3" - ] - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1/C3H8/c1-3-2/h3H2,1-2H3", - "formula": "C3H8" - }, - "segments": [ - "CH3", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "106-97-8", - "name": "butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3", - "formula": "C5H12" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3", - "formula": "C6H14" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3", - "formula": "C7H16" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", - "formula": "C8H18" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3", - "formula": "C9H20" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3", - "formula": "C10H22" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "1120-21-4", - "name": "undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3", - "formula": "C11H24" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3", - "formula": "C12H26" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3", - "formula": "C13H28" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3", - "formula": "C14H30" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3", - "formula": "C15H32" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3", - "formula": "C16H34" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3", - "formula": "C17H36" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3", - "formula": "C18H38" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3", - "formula": "C19H40" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3", - "formula": "C20H42" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "75-28-5", - "name": "isobutane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1/C4H10/c1-4(2)3/h4H,1-3H3", - "formula": "C4H10" - }, - "segments": [ - ">CH", - "CH3", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 0, - 2 - ], - [ - 0, - 3 - ] - ] - }, - { - "identifier": { - "cas": "78-78-4", - "name": "isopentane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3", - "formula": "C5H12" - }, - "segments": [ - "CH3", - ">CH", - "CH2", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 1, - 4 - ] - ] - }, - { - "identifier": { - "cas": "463-82-1", - "name": "neopentane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1/C5H12/c1-5(2,3)4/h1-4H3", - "formula": "C5H12" - }, - "segments": [ - ">C<", - "CH3", - "CH3", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 0, - 2 - ], - [ - 0, - 3 - ], - [ - 0, - 4 - ] - ] - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "segments": [ - "CH3", - ">CH", - "CH2", - "CH2", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 1, - 5 - ] - ] - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1/C6H14/c1-5-6(2,3)4/h5H2,1-4H3", - "formula": "C6H14" - }, - "segments": [ - "CH3", - ">C<", - "CH2", - "CH3", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 1, - 4 - ], - [ - 1, - 5 - ] - ] - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3", - "formula": "C6H14" - }, - "segments": [ - "CH3", - ">CH", - ">CH", - "CH3", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 1, - 4 - ], - [ - 2, - 5 - ] - ] - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "segments": [ - "CH3", - "CH2", - ">CH", - "CH2", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 2, - 5 - ] - ] - }, - { - "identifier": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3", - "formula": "C7H16" - }, - "segments": [ - "CH3", - ">CH", - "CH2", - "CH2", - "CH2", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 1, - 6 - ] - ] - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1/C5H10/c1-2-4-5-3-1/h1-5H2", - "formula": "C5H10" - }, - "segments": [ - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH2_pent" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 0 - ] - ] - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2", - "formula": "C6H12" - }, - "segments": [ - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ] - ] - }, - { - "identifier": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3", - "formula": "C6H12" - }, - "segments": [ - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH_pent", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 0 - ], - [ - 4, - 5 - ] - ] - }, - { - "identifier": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3", - "formula": "C7H14" - }, - "segments": [ - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH_hex", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ] - ] - }, - { - "identifier": { - "cas": "1640-89-7", - "name": "ethylcyclopentane", - "iupac_name": "ethylcyclopentane", - "smiles": "CCC1CCCC1", - "inchi": "InChI=1/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3", - "formula": "C7H14" - }, - "segments": [ - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH_pent", - "CH2", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 0 - ], - [ - 4, - 5 - ], - [ - 5, - 6 - ] - ] - }, - { - "identifier": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3", - "formula": "C8H16" - }, - "segments": [ - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH_hex", - "CH2", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ] - ] - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1/C2H4/c1-2/h1-2H2", - "formula": "C2H4" - }, - "segments": [ - "=CH2", - "=CH2" - ] - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "CC=C", - "inchi": "InChI=1/C3H6/c1-3-2/h3H,1H2,2H3", - "formula": "C3H6" - }, - "segments": [ - "=CH2", - "=CH", - "CH3" - ] - }, - { - "identifier": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "CCC=C", - "inchi": "InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3", - "formula": "C4H8" - }, - "segments": [ - "=CH2", - "=CH", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "CCCC=C", - "inchi": "InChI=1/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3", - "formula": "C5H10" - }, - "segments": [ - "=CH2", - "=CH", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "CCCCC=C", - "inchi": "InChI=1/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3", - "formula": "C6H12" - }, - "segments": [ - "=CH2", - "=CH", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "CCCCCCC=C", - "inchi": "InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3", - "formula": "C8H16" - }, - "segments": [ - "=CH2", - "=CH", - "CH2", - "CH2", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1CC=CC1", - "inchi": "InChI=1/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2", - "formula": "C5H8" - }, - "segments": [ - "CH2_pent", - "CH2_pent", - "CH2_pent", - "CH_pent", - "CH_pent" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 0 - ] - ] - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ] - ] - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "methylbenzene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3", - "formula": "C7H8" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ] - ] - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", - "formula": "C8H10" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH2", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ] - ] - }, - { - "identifier": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "CC1=CC(=CC=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "segments": [ - "CH_arom", - "C_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 1, - 6 - ], - [ - 5, - 7 - ] - ] - }, - { - "identifier": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "CC1=CC=CC=C1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3", - "formula": "C8H10" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "C_arom", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 4, - 6 - ], - [ - 5, - 7 - ] - ] - }, - { - "identifier": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "CC1=CC=C(C=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "segments": [ - "C_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH_arom", - "CH_arom", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 0, - 6 - ], - [ - 3, - 7 - ] - ] - }, - { - "identifier": { - "cas": "103-65-1", - "name": "n-propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3", - "formula": "C9H12" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH2", - "CH2", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ], - [ - 7, - 8 - ] - ] - }, - { - "identifier": { - "cas": "119-64-2", - "name": "tetralin", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "C1CCc2ccccc2C1", - "inchi": "InChI=1/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2", - "formula": "C10H12" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "C_arom", - "CH2_hex", - "CH2_hex", - "CH2_hex", - "CH2_hex" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ], - [ - 7, - 8 - ], - [ - 8, - 9 - ], - [ - 9, - 4 - ] - ] - }, - { - "identifier": { - "cas": "104-51-8", - "name": "n-butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3", - "formula": "C10H14" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "CH2", - "CH2", - "CH2", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ], - [ - 7, - 8 - ], - [ - 8, - 9 - ] - ] - }, - { - "identifier": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "phenylbenzene", - "smiles": "c1ccc(cc1)c2ccccc2", - "inchi": "InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H", - "formula": "C12H10" - }, - "segments": [ - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "C_arom", - "C_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom", - "CH_arom" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 3, - 4 - ], - [ - 4, - 5 - ], - [ - 5, - 0 - ], - [ - 5, - 6 - ], - [ - 6, - 7 - ], - [ - 7, - 8 - ], - [ - 8, - 9 - ], - [ - 9, - 10 - ], - [ - 10, - 11 - ], - [ - 11, - 6 - ] - ] - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1/C2H6O/c1-3-2/h1-2H3", - "formula": "C2H6O" - }, - "segments": [ - "CH3", - "OCH3" - ] - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "segments": [ - "CH3", - "OCH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "557-17-5", - "name": "methyl n-propyl ether", - "iupac_name": "1-methoxypropane", - "smiles": "CCCOC", - "inchi": "InChI=1/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "segments": [ - "OCH3", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl methanoate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1/C2H4O2/c1-4-2-3/h2H,1H3", - "formula": "C2H4O2" - }, - "segments": [ - "HCOO", - "CH3" - ] - }, - { - "identifier": { - "cas": "109-94-4", - "name": "ethyl methanoate", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3", - "formula": "C3H6O2" - }, - "segments": [ - "HCOO", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "110-74-7", - "name": "propyl methanoate", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O2" - }, - "segments": [ - "HCOO", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "141-78-6", - "name": "ethyl ethanoate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "segments": [ - "CH3", - "COO", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "109-60-4", - "name": "propyl ethanoate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "segments": [ - "CH3", - "COO", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "123-86-4", - "name": "n-butyl ethanoate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "segments": [ - "CH3", - "COO", - "CH2", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "108-21-4", - "name": "isopropyl ethanoate", - "iupac_name": "isopropyl acetate", - "smiles": "CC(C)OC(C)=O", - "inchi": "InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3", - "formula": "C5H10O2" - }, - "segments": [ - "CH3", - "CH2", - "COO", - "CH3", - "CH3" - ], - "bonds": [ - [ - 0, - 1 - ], - [ - 1, - 2 - ], - [ - 2, - 3 - ], - [ - 1, - 4 - ] - ] - }, - { - "identifier": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "segments": [ - "CH3", - "CH2", - "COO", - "CH3" - ] - }, - { - "identifier": { - "cas": "105-37-3", - "name": "ethyl propanoate", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "segments": [ - "CH3", - "CH2", - "COO", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "106-36-5", - "name": "propyl propanoate", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "segments": [ - "CH3", - "CH2", - "COO", - "CH2", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "COO", - "CH3" - ] - }, - { - "identifier": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1/C3H6O/c1-3(2)4/h1-2H3", - "formula": "C3H6O" - }, - "segments": [ - "CH3", - ">C=O", - "CH3" - ] - }, - { - "identifier": { - "cas": "78-93-3", - "name": "butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3", - "formula": "C4H8O" - }, - "segments": [ - "CH3", - ">C=O", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - ">C=O", - "CH3" - ] - }, - { - "identifier": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3", - "formula": "C5H10O" - }, - "segments": [ - "CH3", - "CH2", - ">C=O", - "CH2", - "CH3" - ] - }, - { - "identifier": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3", - "formula": "C3H6O" - }, - "segments": [ - "CH3", - "CH2", - "CH=O" - ] - }, - { - "identifier": { - "cas": "123-72-8", - "name": "butanal", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O" - }, - "segments": [ - "CH3", - "CH2", - "CH2", - "CH=O" - ] - }, - { - "identifier": { - "cas": "540-67-0", - "name": "methyl ethyl ether", - "iupac_name": "methoxyethane", - "smiles": "CCOC", - "inchi": "InChI=1/C3H8O/c1-3-4-2/h3H2,1-2H3", - "formula": "C3H8O" - }, - "segments": [ - "CH3", - "CH2", - "OCH3" - ] - } -] diff --git a/parameters_old/pcsaft/gross2001.json b/parameters_old/pcsaft/gross2001.json deleted file mode 100644 index 99e48eba7..000000000 --- a/parameters_old/pcsaft/gross2001.json +++ /dev/null @@ -1,1250 +0,0 @@ -[ - { - "identifier": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1/CH4/h1H4", - "formula": "CH4" - }, - "model_record": { - "m": 1.0, - "sigma": 3.7039, - "epsilon_k": 150.03 - }, - "molarweight": 16.043 - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1/C2H6/c1-2/h1-2H3", - "formula": "C2H6" - }, - "model_record": { - "m": 1.6069, - "sigma": 3.5206, - "epsilon_k": 191.42 - }, - "molarweight": 30.07 - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1/C3H8/c1-3-2/h3H2,1-2H3", - "formula": "C3H8" - }, - "model_record": { - "m": 2.002, - "sigma": 3.6184, - "epsilon_k": 208.11 - }, - "molarweight": 44.096 - }, - { - "identifier": { - "cas": "106-97-8", - "name": "butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "model_record": { - "m": 2.3316, - "sigma": 3.7086, - "epsilon_k": 222.88 - }, - "molarweight": 58.123 - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3", - "formula": "C5H12" - }, - "model_record": { - "m": 2.6896, - "sigma": 3.7729, - "epsilon_k": 231.2 - }, - "molarweight": 72.146 - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3", - "formula": "C6H14" - }, - "model_record": { - "m": 3.0576, - "sigma": 3.7983, - "epsilon_k": 236.77 - }, - "molarweight": 86.177 - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3", - "formula": "C7H16" - }, - "model_record": { - "m": 3.4831, - "sigma": 3.8049, - "epsilon_k": 238.4 - }, - "molarweight": 100.203 - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", - "formula": "C8H18" - }, - "model_record": { - "m": 3.8176, - "sigma": 3.8373, - "epsilon_k": 242.78 - }, - "molarweight": 114.231 - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3", - "formula": "C9H20" - }, - "model_record": { - "m": 4.2079, - "sigma": 3.8448, - "epsilon_k": 244.51 - }, - "molarweight": 128.25 - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3", - "formula": "C10H22" - }, - "model_record": { - "m": 4.6627, - "sigma": 3.8384, - "epsilon_k": 243.87 - }, - "molarweight": 142.285 - }, - { - "identifier": { - "cas": "1120-21-4", - "name": "undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3", - "formula": "C11H24" - }, - "model_record": { - "m": 4.9082, - "sigma": 3.8893, - "epsilon_k": 248.82 - }, - "molarweight": 156.312 - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3", - "formula": "C12H26" - }, - "model_record": { - "m": 5.306, - "sigma": 3.8959, - "epsilon_k": 249.21 - }, - "molarweight": 170.338 - }, - { - "identifier": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3", - "formula": "C13H28" - }, - "model_record": { - "m": 5.6877, - "sigma": 3.9143, - "epsilon_k": 249.78 - }, - "molarweight": 184.365 - }, - { - "identifier": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3", - "formula": "C14H30" - }, - "model_record": { - "m": 5.9002, - "sigma": 3.9396, - "epsilon_k": 254.21 - }, - "molarweight": 198.392 - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3", - "formula": "C15H32" - }, - "model_record": { - "m": 6.2855, - "sigma": 3.9531, - "epsilon_k": 254.14 - }, - "molarweight": 212.419 - }, - { - "identifier": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3", - "formula": "C16H34" - }, - "model_record": { - "m": 6.6485, - "sigma": 3.9552, - "epsilon_k": 254.7 - }, - "molarweight": 226.446 - }, - { - "identifier": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3", - "formula": "C17H36" - }, - "model_record": { - "m": 6.9809, - "sigma": 3.9675, - "epsilon_k": 255.65 - }, - "molarweight": 240.473 - }, - { - "identifier": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3", - "formula": "C18H38" - }, - "model_record": { - "m": 7.3271, - "sigma": 3.9668, - "epsilon_k": 256.2 - }, - "molarweight": 254.5 - }, - { - "identifier": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3", - "formula": "C19H40" - }, - "model_record": { - "m": 7.7175, - "sigma": 3.9721, - "epsilon_k": 256.0 - }, - "molarweight": 268.527 - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3", - "formula": "C20H42" - }, - "model_record": { - "m": 7.9849, - "sigma": 3.9869, - "epsilon_k": 257.75 - }, - "molarweight": 282.553 - }, - { - "identifier": { - "cas": "75-28-5", - "name": "isobutane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1/C4H10/c1-4(2)3/h4H,1-3H3", - "formula": "C4H10" - }, - "model_record": { - "m": 2.2616, - "sigma": 3.7574, - "epsilon_k": 216.53 - }, - "molarweight": 58.123 - }, - { - "identifier": { - "cas": "78-78-4", - "name": "isopentane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3", - "formula": "C5H12" - }, - "model_record": { - "m": 2.562, - "sigma": 3.8296, - "epsilon_k": 230.75 - }, - "molarweight": 72.15 - }, - { - "identifier": { - "cas": "463-82-1", - "name": "neopentane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1/C5H12/c1-5(2,3)4/h1-4H3", - "formula": "C5H12" - }, - "model_record": { - "m": 2.3543, - "sigma": 3.955, - "epsilon_k": 225.69 - }, - "molarweight": 72.15 - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "model_record": { - "m": 2.9317, - "sigma": 3.8535, - "epsilon_k": 235.58 - }, - "molarweight": 86.177 - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1/C6H14/c1-5-6(2,3)4/h5H2,1-4H3", - "formula": "C6H14" - }, - "model_record": { - "m": 2.6008, - "sigma": 4.0042, - "epsilon_k": 243.51 - }, - "molarweight": 86.177 - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3", - "formula": "C6H14" - }, - "model_record": { - "m": 2.6853, - "sigma": 3.9545, - "epsilon_k": 246.07 - }, - "molarweight": 86.177 - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "model_record": { - "m": 2.8852, - "sigma": 3.8605, - "epsilon_k": 240.48 - }, - "molarweight": 86.177 - }, - { - "identifier": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3", - "formula": "C7H16" - }, - "model_record": { - "m": 3.3478, - "sigma": 3.8612, - "epsilon_k": 237.42 - }, - "molarweight": 100.204 - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1/C5H10/c1-2-4-5-3-1/h1-5H2", - "formula": "C5H10" - }, - "model_record": { - "m": 2.3655, - "sigma": 3.7114, - "epsilon_k": 265.83 - }, - "molarweight": 70.13 - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2", - "formula": "C6H12" - }, - "model_record": { - "m": 2.5303, - "sigma": 3.8499, - "epsilon_k": 278.11 - }, - "molarweight": 84.147 - }, - { - "identifier": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3", - "formula": "C6H12" - }, - "model_record": { - "m": 2.613, - "sigma": 3.8253, - "epsilon_k": 265.12 - }, - "molarweight": 84.156 - }, - { - "identifier": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3", - "formula": "C7H14" - }, - "model_record": { - "m": 2.6637, - "sigma": 3.9993, - "epsilon_k": 282.33 - }, - "molarweight": 98.182 - }, - { - "identifier": { - "cas": "1640-89-7", - "name": "ethylcyclopentane", - "iupac_name": "ethylcyclopentane", - "smiles": "CCC1CCCC1", - "inchi": "InChI=1/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3", - "formula": "C7H14" - }, - "model_record": { - "m": 2.9062, - "sigma": 3.8873, - "epsilon_k": 270.5 - }, - "molarweight": 98.182 - }, - { - "identifier": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3", - "formula": "C8H16" - }, - "model_record": { - "m": 2.8256, - "sigma": 4.1039, - "epsilon_k": 294.04 - }, - "molarweight": 112.215 - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1/C2H4/c1-2/h1-2H2", - "formula": "C2H4" - }, - "model_record": { - "m": 1.593, - "sigma": 3.445, - "epsilon_k": 176.47 - }, - "molarweight": 28.05 - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "CC=C", - "inchi": "InChI=1/C3H6/c1-3-2/h3H,1H2,2H3", - "formula": "C3H6" - }, - "model_record": { - "m": 1.9597, - "sigma": 3.5356, - "epsilon_k": 207.19 - }, - "molarweight": 42.081 - }, - { - "identifier": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "CCC=C", - "inchi": "InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3", - "formula": "C4H8" - }, - "model_record": { - "m": 2.2864, - "sigma": 3.6431, - "epsilon_k": 222.0 - }, - "molarweight": 56.107 - }, - { - "identifier": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "CCCC=C", - "inchi": "InChI=1/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3", - "formula": "C5H10" - }, - "model_record": { - "m": 2.6006, - "sigma": 3.7399, - "epsilon_k": 231.99 - }, - "molarweight": 70.134 - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "CCCCC=C", - "inchi": "InChI=1/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3", - "formula": "C6H12" - }, - "model_record": { - "m": 2.9853, - "sigma": 3.7753, - "epsilon_k": 236.81 - }, - "molarweight": 84.616 - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "CCCCCCC=C", - "inchi": "InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3", - "formula": "C8H16" - }, - "model_record": { - "m": 3.7424, - "sigma": 3.8133, - "epsilon_k": 243.02 - }, - "molarweight": 112.215 - }, - { - "identifier": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1CC=CC1", - "inchi": "InChI=1/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2", - "formula": "C5H8" - }, - "model_record": { - "m": 2.2934, - "sigma": 3.6668, - "epsilon_k": 267.76 - }, - "molarweight": 68.114 - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "model_record": { - "m": 2.4653, - "sigma": 3.6478, - "epsilon_k": 287.35 - }, - "molarweight": 78.114 - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "methylbenzene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3", - "formula": "C7H8" - }, - "model_record": { - "m": 2.8149, - "sigma": 3.7169, - "epsilon_k": 285.69 - }, - "molarweight": 92.141 - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", - "formula": "C8H10" - }, - "model_record": { - "m": 3.0799, - "sigma": 3.7974, - "epsilon_k": 287.35 - }, - "molarweight": 106.167 - }, - { - "identifier": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "CC1=CC(=CC=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "model_record": { - "m": 3.1861, - "sigma": 3.7563, - "epsilon_k": 283.98 - }, - "molarweight": 106.167 - }, - { - "identifier": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "CC1=CC=CC=C1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3", - "formula": "C8H10" - }, - "model_record": { - "m": 3.1362, - "sigma": 3.76, - "epsilon_k": 291.05 - }, - "molarweight": 106.167 - }, - { - "identifier": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "CC1=CC=C(C=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "model_record": { - "m": 3.1723, - "sigma": 3.7781, - "epsilon_k": 283.77 - }, - "molarweight": 106.167 - }, - { - "identifier": { - "cas": "103-65-1", - "name": "n-propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3", - "formula": "C9H12" - }, - "model_record": { - "m": 3.3438, - "sigma": 3.8438, - "epsilon_k": 288.13 - }, - "molarweight": 120.194 - }, - { - "identifier": { - "cas": "119-64-2", - "name": "tetralin", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "C1CCc2ccccc2C1", - "inchi": "InChI=1/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2", - "formula": "C10H12" - }, - "model_record": { - "m": 3.3131, - "sigma": 3.875, - "epsilon_k": 325.07 - }, - "molarweight": 132.205 - }, - { - "identifier": { - "cas": "104-51-8", - "name": "n-butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3", - "formula": "C10H14" - }, - "model_record": { - "m": 3.7662, - "sigma": 3.8727, - "epsilon_k": 283.07 - }, - "molarweight": 134.221 - }, - { - "identifier": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "phenylbenzene", - "smiles": "c1ccc(cc1)c2ccccc2", - "inchi": "InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H", - "formula": "C12H10" - }, - "model_record": { - "m": 3.8877, - "sigma": 3.8151, - "epsilon_k": 327.42 - }, - "molarweight": 154.211 - }, - { - "identifier": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1/CO/c1-2", - "formula": "CO" - }, - "model_record": { - "m": 1.3097, - "sigma": 3.2507, - "epsilon_k": 92.15 - }, - "molarweight": 28.01 - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "smiles": "N#N", - "inchi": "InChI=1/N2/c1-2", - "formula": "N2" - }, - "model_record": { - "m": 1.2053, - "sigma": 3.313, - "epsilon_k": 90.96 - }, - "molarweight": 28.01 - }, - { - "identifier": { - "cas": "7440-37-1", - "name": "argon", - "iupac_name": "argon", - "smiles": "[Ar]", - "inchi": "InChI=1/Ar", - "formula": "Ar" - }, - "model_record": { - "m": 0.9285, - "sigma": 3.4784, - "epsilon_k": 122.23 - }, - "molarweight": 39.948 - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1/CO2/c2-1-3", - "formula": "CO2" - }, - "model_record": { - "m": 2.0729, - "sigma": 2.7852, - "epsilon_k": 169.21 - }, - "molarweight": 44.01 - }, - { - "identifier": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=[S]=O", - "inchi": "InChI=1/O2S/c1-3-2", - "formula": "O2S" - }, - "model_record": { - "m": 2.8611, - "sigma": 2.6826, - "epsilon_k": 205.35 - }, - "molarweight": 64.065 - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine", - "iupac_name": "molecular chlorine", - "smiles": "ClCl", - "inchi": "InChI=1/Cl2/c1-2", - "formula": "Cl2" - }, - "model_record": { - "m": 1.5514, - "sigma": 3.3672, - "epsilon_k": 265.67 - }, - "molarweight": 70.905 - }, - { - "identifier": { - "cas": "75-15-0", - "name": "carbon disulfide", - "iupac_name": "methanedithione", - "smiles": "S=C=S", - "inchi": "InChI=1/CS2/c2-1-3", - "formula": "CS2" - }, - "model_record": { - "m": 1.6919, - "sigma": 3.6172, - "epsilon_k": 334.82 - }, - "molarweight": 76.143 - }, - { - "identifier": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "Ccl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3", - "formula": "CH3Cl" - }, - "model_record": { - "m": 1.9297, - "sigma": 3.2293, - "epsilon_k": 240.56 - }, - "molarweight": 50.488 - }, - { - "identifier": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1/C2H5Cl/c1-2-3/h2H2,1H3", - "formula": "C2H5Cl" - }, - "model_record": { - "m": 2.2638, - "sigma": 3.416, - "epsilon_k": 245.43 - }, - "molarweight": 64.514 - }, - { - "identifier": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1/C3H7Cl/c1-3(2)4/h3H,1-2H3", - "formula": "C3H7Cl" - }, - "model_record": { - "m": 2.4151, - "sigma": 3.6184, - "epsilon_k": 251.47 - }, - "molarweight": 78.541 - }, - { - "identifier": { - "cas": "109-69-3", - "name": "1-chlorobutane", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3", - "formula": "C4H9Cl" - }, - "model_record": { - "m": 2.8585, - "sigma": 3.6424, - "epsilon_k": 258.66 - }, - "molarweight": 92.568 - }, - { - "identifier": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H", - "formula": "C6H5Cl" - }, - "model_record": { - "m": 2.6485, - "sigma": 3.7533, - "epsilon_k": 315.04 - }, - "molarweight": 112.558 - }, - { - "identifier": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H", - "formula": "C6H5Br" - }, - "model_record": { - "m": 2.6456, - "sigma": 3.836, - "epsilon_k": 334.37 - }, - "molarweight": 157.01 - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1/C2H6O/c1-3-2/h1-2H3", - "formula": "C2H6O" - }, - "model_record": { - "m": 2.3071, - "sigma": 3.2528, - "epsilon_k": 211.06 - }, - "molarweight": 46.069 - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "model_record": { - "m": 2.9686, - "sigma": 3.5147, - "epsilon_k": 220.09 - }, - "molarweight": 74.123 - }, - { - "identifier": { - "cas": "557-17-5", - "name": "methyl n-propyl ether", - "iupac_name": "1-methoxypropane", - "smiles": "CCCOC", - "inchi": "InChI=1/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "model_record": { - "m": 3.0087, - "sigma": 3.4569, - "epsilon_k": 222.73 - }, - "molarweight": 74.123 - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl methanoate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1/C2H4O2/c1-4-2-3/h2H,1H3", - "formula": "C2H4O2" - }, - "model_record": { - "m": 2.6784, - "sigma": 3.0875, - "epsilon_k": 242.63 - }, - "molarweight": 60.053 - }, - { - "identifier": { - "cas": "109-94-4", - "name": "ethyl methanoate", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3", - "formula": "C3H6O2" - }, - "model_record": { - "m": 2.8876, - "sigma": 3.3109, - "epsilon_k": 246.47 - }, - "molarweight": 74.079 - }, - { - "identifier": { - "cas": "110-74-7", - "name": "propyl methanoate", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O2" - }, - "model_record": { - "m": 3.2088, - "sigma": 3.4168, - "epsilon_k": 246.46 - }, - "molarweight": 88.106 - }, - { - "identifier": { - "cas": "141-78-6", - "name": "ethyl ethanoate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "model_record": { - "m": 3.5375, - "sigma": 3.3079, - "epsilon_k": 230.8 - }, - "molarweight": 88.106 - }, - { - "identifier": { - "cas": "109-60-4", - "name": "propyl ethanoate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "model_record": { - "m": 3.7861, - "sigma": 3.4227, - "epsilon_k": 235.76 - }, - "molarweight": 102.133 - }, - { - "identifier": { - "cas": "123-86-4", - "name": "n-butyl ethanoate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "model_record": { - "m": 3.9808, - "sigma": 3.5427, - "epsilon_k": 242.52 - }, - "molarweight": 116.16 - }, - { - "identifier": { - "cas": "108-21-4", - "name": "isopropyl ethanoate", - "iupac_name": "isopropyl acetate", - "smiles": "CC(C)OC(C)=O", - "inchi": "InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3", - "formula": "C5H10O2" - }, - "model_record": { - "m": 3.6084, - "sigma": 3.4818, - "epsilon_k": 231.91 - }, - "molarweight": 102.133 - }, - { - "identifier": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "model_record": { - "m": 3.4793, - "sigma": 3.3142, - "epsilon_k": 234.96 - }, - "molarweight": 88.106 - }, - { - "identifier": { - "cas": "105-37-3", - "name": "ethyl propanoate", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "model_record": { - "m": 3.8371, - "sigma": 3.4031, - "epsilon_k": 232.78 - }, - "molarweight": 102.133 - }, - { - "identifier": { - "cas": "106-36-5", - "name": "propyl propanoate", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "model_record": { - "m": 4.1155, - "sigma": 3.4875, - "epsilon_k": 235.6 - }, - "molarweight": 116.16 - }, - { - "identifier": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "model_record": { - "m": 3.6758, - "sigma": 3.4437, - "epsilon_k": 240.62 - }, - "molarweight": 102.133 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/gross2002.json b/parameters_old/pcsaft/gross2002.json deleted file mode 100644 index 3b8737154..000000000 --- a/parameters_old/pcsaft/gross2002.json +++ /dev/null @@ -1,362 +0,0 @@ -[ - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "model_record": { - "m": 1.5255, - "sigma": 3.23, - "epsilon_k": 188.9, - "kappa_ab": 0.035176, - "epsilon_k_ab": 2899.5, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 32.042 - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3", - "formula": "C2H6O" - }, - "model_record": { - "m": 2.3827, - "sigma": 3.1771, - "epsilon_k": 198.24, - "kappa_ab": 0.032384, - "epsilon_k_ab": 2653.4, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 46.069 - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "model_record": { - "m": 2.9997, - "sigma": 3.2522, - "epsilon_k": 233.4, - "kappa_ab": 0.015268, - "epsilon_k_ab": 2276.8, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 60.096 - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", - "formula": "C4H10O" - }, - "model_record": { - "m": 2.7515, - "sigma": 3.6139, - "epsilon_k": 259.59, - "kappa_ab": 0.006692, - "epsilon_k_ab": 2544.6, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 74.123 - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "model_record": { - "m": 3.626, - "sigma": 3.4508, - "epsilon_k": 247.28, - "kappa_ab": 0.010319, - "epsilon_k_ab": 2252.1, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 88.15 - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", - "formula": "C6H14O" - }, - "model_record": { - "m": 3.5146, - "sigma": 3.6735, - "epsilon_k": 262.32, - "kappa_ab": 0.005747, - "epsilon_k_ab": 2538.9, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 102.177 - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3", - "formula": "C7H16O" - }, - "model_record": { - "m": 4.3985, - "sigma": 3.545, - "epsilon_k": 253.46, - "kappa_ab": 0.001155, - "epsilon_k_ab": 2878.5, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 116.203 - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", - "formula": "C8H18O" - }, - "model_record": { - "m": 4.3555, - "sigma": 3.7145, - "epsilon_k": 262.74, - "kappa_ab": 0.002197, - "epsilon_k_ab": 2754.8, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 130.23 - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", - "formula": "C9H20O" - }, - "model_record": { - "m": 4.6839, - "sigma": 3.7292, - "epsilon_k": 263.64, - "kappa_ab": 0.001427, - "epsilon_k_ab": 2941.9, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 144.257 - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3", - "formula": "C3H8O" - }, - "model_record": { - "m": 3.0929, - "sigma": 3.2085, - "epsilon_k": 208.42, - "kappa_ab": 0.024675, - "epsilon_k_ab": 2253.9, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 60.096 - }, - { - "identifier": { - "cas": "75-85-4", - "name": "2-methyl-2-butanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3", - "formula": "C5H12O" - }, - "model_record": { - "m": 2.5487, - "sigma": 3.9053, - "epsilon_k": 266.01, - "kappa_ab": 0.001863, - "epsilon_k_ab": 2618.8, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 88.15 - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "model_record": { - "m": 1.0656, - "sigma": 3.0007, - "epsilon_k": 366.51, - "kappa_ab": 0.034868, - "epsilon_k_ab": 2500.7, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 18.015 - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1/CH5N/c1-2/h2H2,1H3", - "formula": "CH5N" - }, - "model_record": { - "m": 2.3967, - "sigma": 2.8906, - "epsilon_k": 214.94, - "kappa_ab": 0.095103, - "epsilon_k_ab": 684.3, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 31.06 - }, - { - "identifier": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1/C2H7N/c1-2-3/h2-3H2,1H3", - "formula": "C2H7N" - }, - "model_record": { - "m": 2.7046, - "sigma": 3.1343, - "epsilon_k": 221.53, - "kappa_ab": 0.017275, - "epsilon_k_ab": 854.7, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 45.09 - }, - { - "identifier": { - "cas": "107-10-8", - "name": "1-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1/C3H9N/c1-2-3-4/h2-4H2,1H3", - "formula": "C3H9N" - }, - "model_record": { - "m": 2.4539, - "sigma": 3.5347, - "epsilon_k": 250.52, - "kappa_ab": 0.022674, - "epsilon_k_ab": 1028.1, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 59.11 - }, - { - "identifier": { - "cas": "75-31-0", - "name": "2-propylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1/C3H9N/c1-3(2)4/h3H,4H2,1-2H3", - "formula": "C3H9N" - }, - "model_record": { - "m": 2.5908, - "sigma": 3.4777, - "epsilon_k": 231.8, - "kappa_ab": 0.02134, - "epsilon_k_ab": 932.2, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 59.11 - }, - { - "identifier": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2", - "formula": "C6H7N" - }, - "model_record": { - "m": 2.6607, - "sigma": 3.7021, - "epsilon_k": 335.47, - "kappa_ab": 0.074883, - "epsilon_k_ab": 1351.6, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 93.13 - }, - { - "identifier": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(O)=O", - "inchi": "InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/f/h3H", - "formula": "C2H4O2" - }, - "model_record": { - "m": 1.3403, - "sigma": 3.8582, - "epsilon_k": 211.59, - "kappa_ab": 0.07555, - "epsilon_k_ab": 3044.4, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 60.053 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/gross2002_binary.json b/parameters_old/pcsaft/gross2002_binary.json deleted file mode 100644 index c1255c132..000000000 --- a/parameters_old/pcsaft/gross2002_binary.json +++ /dev/null @@ -1,191 +0,0 @@ -[ - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2", - "formula": "C6H12" - }, - "model_record": { - "k_ij": 0.051 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", - "formula": "C8H18O" - }, - "model_record": { - "k_ij": 0.02 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3", - "formula": "C2H6O" - }, - "id2": { - "cas": "106-97-8", - "name": "butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "model_record": { - "k_ij": 0.028 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "model_record": { - "k_ij": 0.02 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", - "formula": "C8H10" - }, - "model_record": { - "k_ij": 0.023 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3", - "formula": "C3H8O" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "model_record": { - "k_ij": 0.021 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", - "formula": "C4H10O" - }, - "id2": { - "cas": "106-97-8", - "name": "butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "model_record": { - "k_ij": 0.015 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "model_record": { - "k_ij": 0.0135 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1/H2O/h1H2", - "formula": "H2O" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "model_record": { - "k_ij": 0.016 - } - } -] diff --git a/parameters_old/pcsaft/gross2005_fit.json b/parameters_old/pcsaft/gross2005_fit.json deleted file mode 100644 index 4f9b261c2..000000000 --- a/parameters_old/pcsaft/gross2005_fit.json +++ /dev/null @@ -1,121 +0,0 @@ -[ - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1/CO2/c2-1-3", - "formula": "CO2" - }, - "model_record": { - "m": 1.6298, - "sigma": 3.0867, - "epsilon_k": 163.34, - "q": 3.9546 - }, - "molarweight": 44.01 - }, - { - "identifier": { - "cas": "75-15-0", - "name": "carbon disulfide", - "iupac_name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1/CS2/c2-1-3", - "formula": "CS2" - }, - "model_record": { - "m": 1.3906, - "sigma": 3.9453, - "epsilon_k": 344.25, - "q": 7.3662 - }, - "molarweight": 76.143 - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1/C2H4/c1-2/h1-2H2", - "formula": "C2H4" - }, - "model_record": { - "m": 1.5477, - "sigma": 3.4475, - "epsilon_k": 179.19, - "q": 1.9155 - }, - "molarweight": 28.05 - }, - { - "identifier": { - "cas": "74-86-2", - "name": "acetylene", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1/C2H2/c1-2/h1-2H", - "formula": "C2H2" - }, - "model_record": { - "m": 1.5587, - "sigma": 3.3325, - "epsilon_k": 174.68, - "q": 4.5415 - }, - "molarweight": 26.04 - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "smiles": "N#N", - "inchi": "InChI=1/N2/c1-2", - "formula": "N2" - }, - "model_record": { - "m": 1.1879, - "sigma": 3.3353, - "epsilon_k": 90.99, - "q": 1.1151 - }, - "molarweight": 28.01 - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine", - "iupac_name": "molecular chlorine", - "smiles": "ClCl", - "inchi": "InChI=1/Cl2/c1-2", - "formula": "Cl2" - }, - "model_record": { - "m": 1.4682, - "sigma": 3.448, - "epsilon_k": 269.67, - "q": 3.0724 - }, - "molarweight": 70.905 - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "model_record": { - "m": 2.2463, - "sigma": 3.7852, - "epsilon_k": 296.24, - "q": 5.5907 - }, - "molarweight": 78.114 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/gross2005_literature.json b/parameters_old/pcsaft/gross2005_literature.json deleted file mode 100644 index f4fab0b4f..000000000 --- a/parameters_old/pcsaft/gross2005_literature.json +++ /dev/null @@ -1,104 +0,0 @@ -[ - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1/CO2/c2-1-3", - "formula": "CO2" - }, - "model_record": { - "m": 1.5131, - "sigma": 3.1869, - "epsilon_k": 163.33, - "q": 4.4 - }, - "molarweight": 44.01 - }, - { - "identifier": { - "cas": "75-15-0", - "name": "carbon disulfide", - "iupac_name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1/CS2/c2-1-3", - "formula": "CS2" - }, - "model_record": { - "m": 1.5876, - "sigma": 3.7106, - "epsilon_k": 342.08, - "q": 4.26 - }, - "molarweight": 76.143 - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1/C2H4/c1-2/h1-2H2", - "formula": "C2H4" - }, - "model_record": { - "m": 1.5425, - "sigma": 3.4523, - "epsilon_k": 179.37, - "q": 2.0 - }, - "molarweight": 28.05 - }, - { - "identifier": { - "cas": "74-86-2", - "name": "acetylene", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1/C2H2/c1-2/h1-2H", - "formula": "C2H2" - }, - "model_record": { - "m": 1.5477, - "sigma": 3.3428, - "epsilon_k": 174.48, - "q": 4.6 - }, - "molarweight": 26.04 - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "smiles": "N#N", - "inchi": "InChI=1/N2/c1-2", - "formula": "N2" - }, - "model_record": { - "m": 1.1504, - "sigma": 3.3848, - "epsilon_k": 91.4, - "q": 1.43 - }, - "molarweight": 28.01 - }, - { - "identifier": { - "cas": "7782-50-5", - "name": "chlorine", - "iupac_name": "molecular chlorine", - "smiles": "ClCl", - "inchi": "InChI=1/Cl2/c1-2", - "formula": "Cl2" - }, - "model_record": { - "m": 1.3934, - "sigma": 3.5339, - "epsilon_k": 270.49, - "q": 4.1 - }, - "molarweight": 70.905 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/gross2006.json b/parameters_old/pcsaft/gross2006.json deleted file mode 100644 index d8daa9b98..000000000 --- a/parameters_old/pcsaft/gross2006.json +++ /dev/null @@ -1,410 +0,0 @@ -[ - { - "identifier": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1/C3H6O/c1-3(2)4/h1-2H3", - "formula": "C3H6O" - }, - "model_record": { - "m": 2.7447, - "sigma": 3.2742, - "epsilon_k": 232.99, - "mu": 2.88 - }, - "molarweight": 58.08 - }, - { - "identifier": { - "cas": "78-93-3", - "name": "butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3", - "formula": "C4H8O" - }, - "model_record": { - "m": 2.9835, - "sigma": 3.4239, - "epsilon_k": 244.99, - "mu": 2.78 - }, - "molarweight": 72.107 - }, - { - "identifier": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O" - }, - "model_record": { - "m": 3.3537, - "sigma": 3.4942, - "epsilon_k": 246.66, - "mu": 2.7 - }, - "molarweight": 86.134 - }, - { - "identifier": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3", - "formula": "C5H10O" - }, - "model_record": { - "m": 3.2786, - "sigma": 3.5159, - "epsilon_k": 248.69, - "mu": 2.82 - }, - "molarweight": 86.134 - }, - { - "identifier": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3", - "formula": "C3H6O" - }, - "model_record": { - "m": 2.6001, - "sigma": 3.2872, - "epsilon_k": 235.21, - "mu": 2.72 - }, - "molarweight": 58.08 - }, - { - "identifier": { - "cas": "123-72-8", - "name": "butanal", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O" - }, - "model_record": { - "m": 2.8825, - "sigma": 3.4698, - "epsilon_k": 247.09, - "mu": 2.72 - }, - "molarweight": 72.107 - }, - { - "identifier": { - "cas": "107-31-3", - "name": "methyl methanoate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1/C2H4O2/c1-4-2-3/h2H,1H3", - "formula": "C2H4O2" - }, - "model_record": { - "m": 2.6225, - "sigma": 3.1095, - "epsilon_k": 239.05, - "mu": 1.77 - }, - "molarweight": 60.053 - }, - { - "identifier": { - "cas": "109-94-4", - "name": "ethyl methanoate", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3", - "formula": "C3H6O2" - }, - "model_record": { - "m": 2.8338, - "sigma": 3.3316, - "epsilon_k": 244.5, - "mu": 1.93 - }, - "molarweight": 74.079 - }, - { - "identifier": { - "cas": "110-74-7", - "name": "propyl methanoate", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O2" - }, - "model_record": { - "m": 3.1723, - "sigma": 3.4296, - "epsilon_k": 245.64, - "mu": 1.89 - }, - "molarweight": 88.106 - }, - { - "identifier": { - "cas": "141-78-6", - "name": "ethyl ethanoate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "model_record": { - "m": 3.506, - "sigma": 3.3177, - "epsilon_k": 230.24, - "mu": 1.78 - }, - "molarweight": 88.106 - }, - { - "identifier": { - "cas": "109-60-4", - "name": "propyl ethanoate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "model_record": { - "m": 3.7658, - "sigma": 3.4289, - "epsilon_k": 235.42, - "mu": 1.78 - }, - "molarweight": 102.13 - }, - { - "identifier": { - "cas": "123-86-4", - "name": "n-butyl ethanoate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "model_record": { - "m": 3.9629, - "sigma": 3.5482, - "epsilon_k": 242.27, - "mu": 1.87 - }, - "molarweight": 116.16 - }, - { - "identifier": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3", - "formula": "C4H8O2" - }, - "model_record": { - "m": 3.4442, - "sigma": 3.3255, - "epsilon_k": 234.26, - "mu": 1.85 - }, - "molarweight": 88.106 - }, - { - "identifier": { - "cas": "105-37-3", - "name": "ethyl propanoate", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "model_record": { - "m": 3.7954, - "sigma": 3.4169, - "epsilon_k": 233.09, - "mu": 1.74 - }, - "molarweight": 102.133 - }, - { - "identifier": { - "cas": "106-36-5", - "name": "propyl propanoate", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "model_record": { - "m": 4.0993, - "sigma": 3.4921, - "epsilon_k": 235.38, - "mu": 1.8 - }, - "molarweight": 116.16 - }, - { - "identifier": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "model_record": { - "m": 3.642, - "sigma": 3.4535, - "epsilon_k": 240.02, - "mu": 2.03 - }, - "molarweight": 102.133 - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1/C2H6O/c1-3-2/h1-2H3", - "formula": "C2H6O" - }, - "model_record": { - "m": 2.2634, - "sigma": 3.2723, - "epsilon_k": 210.29, - "mu": 1.3 - }, - "molarweight": 46.069 - }, - { - "identifier": { - "cas": "540-67-0", - "name": "methyl ethyl ether", - "iupac_name": "methoxyethane", - "smiles": "CCOC", - "inchi": "InChI=1/C3H8O/c1-3-4-2/h3H2,1-2H3", - "formula": "C3H8O" - }, - "model_record": { - "m": 2.6425, - "sigma": 3.3794, - "epsilon_k": 215.79, - "mu": 1.17 - }, - "molarweight": 60.096 - }, - { - "identifier": { - "cas": "557-17-5", - "name": "methyl n-propyl ether", - "iupac_name": "1-methoxypropane", - "smiles": "CCCOC", - "inchi": "InChI=1/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "model_record": { - "m": 3.0004, - "sigma": 3.4602, - "epsilon_k": 222.67, - "mu": 1.107 - }, - "molarweight": 74.123 - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "model_record": { - "m": 2.9726, - "sigma": 3.5127, - "epsilon_k": 219.53, - "mu": 1.15 - }, - "molarweight": 74.123 - }, - { - "identifier": { - "cas": "67-68-5", - "name": "dmso", - "iupac_name": "methylsulfinylmethane", - "smiles": "C[S](C)=O", - "inchi": "InChI=1/C2H6OS/c1-4(2)3/h1-2H3", - "formula": "C2H6OS" - }, - "model_record": { - "m": 3.0243, - "sigma": 3.2427, - "epsilon_k": 309.36, - "mu": 3.96 - }, - "molarweight": 78.13 - }, - { - "identifier": { - "cas": "7647-01-0", - "name": "hcl", - "iupac_name": "hydrogen chloride", - "smiles": "[H+].[Cl-]", - "inchi": "", - "formula": "ClH" - }, - "model_record": { - "m": 1.5194, - "sigma": 2.9794, - "epsilon_k": 203.32, - "mu": 1.109 - }, - "molarweight": 36.461 - }, - { - "identifier": { - "cas": "74-87-3", - "name": "chloro methane", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1/CH3Cl/c1-2/h1H3", - "formula": "CH3Cl" - }, - "model_record": { - "m": 1.807, - "sigma": 3.3034, - "epsilon_k": 229.97, - "mu": 1.896 - }, - "molarweight": 50.488 - }, - { - "identifier": { - "cas": "75-00-3", - "name": "chloro ethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1/C2H5Cl/c1-2-3/h2H2,1H3", - "formula": "C2H5Cl" - }, - "model_record": { - "m": 2.2207, - "sigma": 3.4335, - "epsilon_k": 237.03, - "mu": 2.05 - }, - "molarweight": 64.514 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/literature.bib b/parameters_old/pcsaft/literature.bib deleted file mode 100644 index b63abde89..000000000 --- a/parameters_old/pcsaft/literature.bib +++ /dev/null @@ -1,146 +0,0 @@ -@article{gross2001, - author = {Gross, Joachim and Sadowski, Gabriele}, - title = {Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {40}, - number = {4}, - pages = {1244-1260}, - year = {2001}, - doi = {10.1021/ie0003887}, - url = {https://doi.org/10.1021/ie0003887}, - eprint = {https://doi.org/10.1021/ie0003887} -} - -@article{gross2002, - author = {Gross, Joachim and Sadowski, Gabriele}, - title = {Application of the Perturbed-Chain SAFT Equation of State to Associating Systems}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {41}, - number = {22}, - pages = {5510-5515}, - year = {2002}, - doi = {10.1021/ie010954d}, - url = {https://doi.org/10.1021/ie010954d}, - eprint = {https://doi.org/10.1021/ie010954d} -} - -@article{gross2005, - author = {Gross, Joachim}, - title = {An equation-of-state contribution for polar components: Quadrupolar molecules}, - journal = {AIChE Journal}, - volume = {51}, - number = {9}, - pages = {2556-2568}, - keywords = {equation of state, polar, perturbation theory, mixtures, nonspherical molecules, SAFT}, - doi = {10.1002/aic.10502}, - url = {https://aiche.onlinelibrary.wiley.com/doi/abs/10.1002/aic.10502}, - eprint = {https://aiche.onlinelibrary.wiley.com/doi/pdf/10.1002/aic.10502}, - year = {2005} -} - -@article{gross2006, - author = {Gross, Joachim and Vrabec, Jadran}, - title = {An equation-of-state contribution for polar components: Dipolar molecules}, - journal = {AIChE Journal}, - volume = {52}, - number = {3}, - pages = {1194-1204}, - doi = {10.1002/aic.10683}, - url = {https://aiche.onlinelibrary.wiley.com/doi/abs/10.1002/aic.10683}, - eprint = {https://aiche.onlinelibrary.wiley.com/doi/pdf/10.1002/aic.10683}, - year = {2006} -} - -@article{sauer2014, - author = {Sauer, Elmar and Stavrou, Marina and Gross, Joachim}, - title = {Comparison between a Homo- and a Heterosegmented Group Contribution Approach Based on the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {53}, - number = {38}, - pages = {14854-14864}, - year = {2014}, - doi = {10.1021/ie502203w}, - url = {https://doi.org/10.1021/ie502203w}, - eprint = {https://doi.org/10.1021/ie502203w} -} - -@article{loetgeringlin2015, - author = {Lötgering-Lin, Oliver and Gross, Joachim}, - title = {Group Contribution Method for Viscosities Based on Entropy Scaling Using the Perturbed-Chain Polar Statistical Associating Fluid Theory}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {54}, - number = {32}, - pages = {7942-7952}, - year = {2015}, - doi = {10.1021/acs.iecr.5b01698}, - url = {https://doi.org/10.1021/acs.iecr.5b01698}, - eprint = {https://doi.org/10.1021/acs.iecr.5b01698} -} - -@article{loetgeringlin2018, - author = {Lötgering-Lin, Oliver and Fischer, Matthias and Hopp, Madlen and Gross, Joachim}, - title = {Pure Substance and Mixture Viscosities Based on Entropy Scaling and an Analytic Equation of State}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {57}, - number = {11}, - pages = {4095-4114}, - year = {2018}, - doi = {10.1021/acs.iecr.7b04871}, - url = {https://doi.org/10.1021/acs.iecr.7b04871}, - eprint = {https://doi.org/10.1021/acs.iecr.7b04871} -} - -@article{rehner2020, - author = {Rehner, Philipp and Gross, Joachim}, - title = {Multiobjective Optimization of PCP-SAFT Parameters for Water and Alcohols Using Surface Tension Data}, - journal = {Journal of Chemical \& Engineering Data}, - volume = {65}, - number = {12}, - pages = {5698-5707}, - year = {2020}, - doi = {10.1021/acs.jced.0c00684}, - url = {https://doi.org/10.1021/acs.jced.0c00684}, - eprint = {https://doi.org/10.1021/acs.jced.0c00684} -} - -@article{eller2022, - author = {Eller, Johannes and Sauerborn, Tim and Becker, Beatrix and Buntic, Ivan and Gross, Joachim and Helmig, Rainer}, - title = {Modeling Subsurface Hydrogen Storage With Transport Properties From Entropy Scaling Using the PC-SAFT Equation of State}, - journal = {Water Resources Research}, - volume = {58}, - number = {4}, - pages = {e2021WR030885}, - year = {2022}, - doi = {10.1029/2021WR030885}, - url = {https://agupubs.onlinelibrary.wiley.com/doi/abs/10.1029/2021WR030885}, - eprint = {https://agupubs.onlinelibrary.wiley.com/doi/pdf/10.1029/2021WR030885} -} - -@article{esper2023, - author = {Esper, Timm and Bauer, Gernot and Rehner, Philipp and Gross, Joachim}, - title = {PCP-SAFT Parameters of Pure Substances Using Large Experimental Databases}, - journal = {Industrial \& Engineering Chemistry Research}, - volume = {62}, - number = {37}, - pages = {15300-15310}, - year = {2023}, - doi = {10.1021/acs.iecr.3c02255}, - url = {https://doi.org/10.1021/acs.iecr.3c02255}, - eprint = {https://doi.org/10.1021/acs.iecr.3c02255} -} - -@article{Rehner2023, - author = {Rehner, Philipp and Bardow, Andr{\ifmmode\acute{e}\else\'{e}\fi} and Gross, Joachim}, - title = {{Modeling Mixtures with PCP-SAFT: Insights from Large-Scale Parametrization and Group-Contribution Method for Binary Interaction Parameters}}, - journal = {International Journal of Thermophysics}, - volume = {44}, - number = {12}, - pages = {1--28}, - year = {2023}, - month = dec, - issn = {1572-9567}, - publisher = {Springer US}, - doi = {10.1007/s10765-023-03290-3}, - url = {https://doi.org/10.1007/s10765-023-03290-3}, - eprint = {https://doi.org/10.1007/s10765-023-03290-3} -} \ No newline at end of file diff --git a/parameters_old/pcsaft/loetgeringlin2015_homo.json b/parameters_old/pcsaft/loetgeringlin2015_homo.json deleted file mode 100644 index 030332969..000000000 --- a/parameters_old/pcsaft/loetgeringlin2015_homo.json +++ /dev/null @@ -1,310 +0,0 @@ -[ - { - "identifier": "CH3", - "model_record": { - "m": 0.61198, - "sigma": 3.7202, - "epsilon_k": 229.90, - "viscosity": [ - -8.6878e-3, - -1.7951e-1, - -12.2359e-2, - -0.01245 - ] - }, - "molarweight": 15.0345 - }, - { - "identifier": "CH2", - "model_record": { - "m": 0.45606, - "sigma": 3.8900, - "epsilon_k": 239.01, - "viscosity": [ - -0.9194e-3, - -1.3316e-1, - -4.2657e-2, - -0.01245 - ] - }, - "molarweight": 14.02658 - }, - { - "identifier": ">CH", - "model_record": { - "m": 0.14304, - "sigma": 4.8597, - "epsilon_k": 347.64, - "viscosity": [ - 12.8159e-3, - -0.3416e-1, - 5.5752e-2, - -0.01245 - ] - }, - "molarweight": 13.01854 - }, - { - "identifier": ">C<", - "model_record": { - "m": -0.66997, - "sigma": -1.7878, - "epsilon_k": 107.68, - "viscosity": [ - 152.5629e-3, - 12.3998e-1, - 13.8406e-2, - -0.01245 - ] - }, - "molarweight": 12.0107 - }, - { - "identifier": "=CH2", - "model_record": { - "m": 0.36939, - "sigma": 4.0264, - "epsilon_k": 289.49, - "viscosity": [ - -6.3736e-3, - 42.4367e-1, - -10.8726e-2, - -0.01245 - ] - }, - "molarweight": 14.02658 - }, - { - "identifier": "=CH", - "model_record": { - "m": 0.56361, - "sigma": 3.5519, - "epsilon_k": 216.69, - "viscosity": [ - -5.0637e-3, - -43.5678e-1, - -5.4247e-2, - -0.01245 - ] - }, - "molarweight": 13.01854 - }, - { - "identifier": "=C<", - "model_record": { - "m": 0.86367, - "sigma": 3.1815, - "epsilon_k": 156.31 - }, - "molarweight": 12.0107 - }, - { - "identifier": "C≡CH", - "model_record": { - "m": 1.3279, - "sigma": 2.9421, - "epsilon_k": 223.05 - }, - "molarweight": 25.02924 - }, - { - "identifier": "CH2_hex", - "model_record": { - "m": 0.39496, - "sigma": 3.9126, - "epsilon_k": 289.03, - "viscosity": [ - -3.7896e-3, - -1.4796e-1, - -4.5017e-2, - -0.01245 - ] - }, - "molarweight": 14.02658 - }, - { - "identifier": "CH_hex", - "model_record": { - "m": 0.02880, - "sigma": 8.9779, - "epsilon_k": 1306.7 - }, - "molarweight": 13.01854 - }, - { - "identifier": "CH2_pent", - "model_record": { - "m": 0.46742, - "sigma": 3.7272, - "epsilon_k": 267.16, - "viscosity": [ - -3.8105e-3, - -1.628e-1, - -6.7905e-2, - -0.01245 - ] - }, - "molarweight": 14.02658 - }, - { - "identifier": "CH_pent", - "model_record": { - "m": 0.03314, - "sigma": 7.7190, - "epsilon_k": 1297.7 - }, - "molarweight": 13.01854 - }, - { - "identifier": "CH_arom", - "model_record": { - "m": 0.42335, - "sigma": 3.7270, - "epsilon_k": 274.41, - "viscosity": [ - -4.7664e-3, - -1.6842e-1, - -6.5606e-2, - -0.01245 - ] - }, - "molarweight": 13.01854 - }, - { - "identifier": "C_arom", - "model_record": { - "m": 0.15371, - "sigma": 3.9622, - "epsilon_k": 527.20, - "viscosity": [ - 14.428e-3, - 0.1104e-1, - -0.0699e-2, - -0.01245 - ] - }, - "molarweight": 12.0107 - }, - { - "identifier": "CH=O", - "model_record": { - "m": 1.5774, - "sigma": 2.8035, - "epsilon_k": 242.99, - "mu": 2.4556, - "viscosity": [ - 8.8675e-3, - -1.482e-1, - -9.1325e-2, - -0.01245 - ] - }, - "molarweight": 29.01754 - }, - { - "identifier": ">C=O", - "model_record": { - "m": 1.2230, - "sigma": 2.8124, - "epsilon_k": 249.04, - "mu": 3.2432 - }, - "molarweight": 28.0097 - }, - { - "identifier": "OCH3", - "model_record": { - "m": 1.6539, - "sigma": 3.0697, - "epsilon_k": 196.05, - "mu": 1.3866, - "viscosity": [ - -4.6001e-3, - -1.6433e-1, - -5.3118e-2, - -0.01245 - ] - }, - "molarweight": 31.03322 - }, - { - "identifier": "OCH2", - "model_record": { - "m": 1.1349, - "sigma": 3.2037, - "epsilon_k": 187.13, - "mu": 2.7440, - "viscosity": [ - -5.5435e-3, - -2.2345e-1, - -9.9967e-2, - -0.01245 - ] - }, - "molarweight": 30.02538 - }, - { - "identifier": "HCOO", - "model_record": { - "m": 1.7525, - "sigma": 2.9043, - "epsilon_k": 229.63, - "mu": 2.7916 - }, - "molarweight": 45.01654 - }, - { - "identifier": "COO", - "model_record": { - "m": 1.5063, - "sigma": 2.8166, - "epsilon_k": 222.52, - "mu": 3.1652, - "viscosity": [ - -0.3295e-3, - -1.1893e-1, - 6.9576e-2, - -0.01245 - ] - }, - "molarweight": 44.0087 - }, - { - "identifier": "OH", - "model_record": { - "m": 0.40200, - "sigma": 3.2859, - "epsilon_k": 488.66, - "epsilon_k_ab": 2517.0, - "kappa_ab": 0.006825, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -15.7583e-3, - -2.5654e-1, - -23.1537e-2, - -0.01245 - ] - }, - "molarweight": 17.00734 - }, - { - "identifier": "NH2", - "model_record": { - "m": 0.40558, - "sigma": 3.6456, - "epsilon_k": 467.59, - "epsilon_k_ab": 1064.6, - "kappa_ab": 0.026662, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -4.4048e-3, - -0.6089e-1, - -8.9017e-2, - -0.01245 - ] - }, - "molarweight": 16.02238 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/loetgeringlin2018.json b/parameters_old/pcsaft/loetgeringlin2018.json deleted file mode 100644 index 153e40ed3..000000000 --- a/parameters_old/pcsaft/loetgeringlin2018.json +++ /dev/null @@ -1,3446 +0,0 @@ -[ - { - "identifier": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "C(C(F)(F)F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H", - "formula": "C2HF5" - }, - "molarweight": 120.022, - "model_record": { - "m": 3.0838, - "sigma": 3.1297, - "epsilon_k": 154.4771, - "mu": 1.5409, - "viscosity": [ - -1.3005, - -2.8541, - -0.5396, - -0.1155 - ] - } - }, - { - "identifier": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "C(C(F)(F)F)(C(F)(F)F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H", - "formula": "C3HF7" - }, - "molarweight": 170.03, - "model_record": { - "m": 3.5407, - "sigma": 3.301, - "epsilon_k": 160.9843, - "mu": 1.9396, - "viscosity": [ - -1.3718, - -3.0118, - -0.554, - -0.1543 - ] - } - }, - { - "identifier": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "C(C(F)F)(C(F)(F)F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H", - "formula": "C3H2F6" - }, - "molarweight": 152.039, - "model_record": { - "m": 3.681, - "sigma": 3.1918, - "epsilon_k": 177.2769, - "mu": 0.2009, - "viscosity": [ - -0.977, - -2.4251, - -0.2831, - -0.1409 - ] - } - }, - { - "identifier": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "C(C(F)(F)F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2", - "formula": "C2H2F4" - }, - "molarweight": 102.031, - "model_record": { - "m": 3.1242, - "sigma": 3.0549, - "epsilon_k": 165.8855, - "mu": 2.0581, - "viscosity": [ - -1.2914, - -2.6782, - -0.4505, - -0.1004 - ] - } - }, - { - "identifier": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "C(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2", - "formula": "C3H2F6" - }, - "molarweight": 152.039, - "model_record": { - "m": 3.6025, - "sigma": 3.2428, - "epsilon_k": 170.2242, - "mu": 1.9816, - "viscosity": [ - -1.168, - -2.6971, - -0.4772, - -0.1409 - ] - } - }, - { - "identifier": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "C(C(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2", - "formula": "C3H3F5" - }, - "molarweight": 134.049, - "model_record": { - "m": 3.5888, - "sigma": 3.1797, - "epsilon_k": 184.7, - "mu": 1.5559, - "viscosity": [ - -1.4285, - -2.9879, - -0.4947, - -0.1269 - ] - } - }, - { - "identifier": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3", - "formula": "C2H3Cl3" - }, - "molarweight": 133.404, - "model_record": { - "m": 2.4793, - "sigma": 3.7527, - "epsilon_k": 275.4749, - "mu": 1.7808, - "viscosity": [ - -1.0325, - -2.347, - -0.4703, - -0.1264 - ] - } - }, - { - "identifier": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3", - "formula": "C2H3F3" - }, - "molarweight": 84.041, - "model_record": { - "m": 2.4877, - "sigma": 3.2839, - "epsilon_k": 161.4797, - "mu": 2.3204, - "viscosity": [ - -1.1297, - -2.2024, - -0.3203, - -0.0846 - ] - } - }, - { - "identifier": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3", - "formula": "C2H4F2" - }, - "molarweight": 66.051, - "model_record": { - "m": 2.5999, - "sigma": 3.1426, - "epsilon_k": 179.9699, - "mu": 2.2619, - "viscosity": [ - -1.1237, - -2.1489, - -0.2769, - -0.068 - ] - } - }, - { - "identifier": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "C(C(F)(F)Cl)(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8", - "formula": "C2Cl2F4" - }, - "molarweight": 170.921, - "model_record": { - "m": 2.7766, - "sigma": 3.6468, - "epsilon_k": 202.3572, - "mu": 0.6685, - "viscosity": [ - -1.1623, - -2.9065, - -0.6941, - -0.155 - ] - } - }, - { - "identifier": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "CC1=CC(=CC(=C1)C)C", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3", - "formula": "C9H12" - }, - "molarweight": 120.194, - "model_record": { - "m": 3.671, - "sigma": 3.7284, - "epsilon_k": 277.6576, - "viscosity": [ - -1.3566, - -2.6547, - -0.5489, - -0.1157 - ] - } - }, - { - "identifier": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "CC1=CC(=CC=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "molarweight": 106.167, - "model_record": { - "m": 3.1861, - "sigma": 3.7563, - "epsilon_k": 283.98, - "viscosity": [ - -1.2749, - -2.5804, - -0.5289, - -0.1039 - ] - } - }, - { - "identifier": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "CC1=CC=C(C=C1)C", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3", - "formula": "C8H10" - }, - "molarweight": 106.167, - "model_record": { - "m": 3.1723, - "sigma": 3.7781, - "epsilon_k": 283.77, - "viscosity": [ - -1.2749, - -2.6129, - -0.5418, - -0.1039 - ] - } - }, - { - "identifier": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3", - "formula": "C8H18O" - }, - "molarweight": 130.23, - "model_record": { - "m": 4.4126, - "sigma": 3.6997, - "epsilon_k": 233.9837, - "mu": 1.1692, - "viscosity": [ - -1.3556, - -2.811, - -0.4985, - -0.1238 - ] - } - }, - { - "identifier": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "C(C(F)(F)Cl)(F)(F)F", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8", - "formula": "C2ClF5" - }, - "molarweight": 154.467, - "model_record": { - "m": 2.7628, - "sigma": 3.5063, - "epsilon_k": 170.7613, - "mu": 0.5186, - "viscosity": [ - -1.1464, - -2.7197, - -0.5569, - -0.1427 - ] - } - }, - { - "identifier": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3", - "formula": "C6H14O3" - }, - "molarweight": 134.175, - "model_record": { - "m": 4.2282, - "sigma": 3.5722, - "epsilon_k": 258.4078, - "mu": 1.97, - "viscosity": [ - -1.2095, - -2.6243, - -0.4929, - -0.127 - ] - } - }, - { - "identifier": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "CC1=CC=C(C=C1)C(C)C", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3", - "formula": "C10H14" - }, - "molarweight": 134.221, - "model_record": { - "m": 3.6373, - "sigma": 3.907, - "epsilon_k": 284.1096, - "viscosity": [ - -1.4434, - -2.8975, - -0.641, - -0.127 - ] - } - }, - { - "identifier": { - "cas": "693-65-2", - "name": "dipentyl ether", - "iupac_name": "1-pentoxypentane", - "smiles": "CCCCCOCCCCC", - "inchi": "InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3", - "formula": "C10H22O" - }, - "molarweight": 158.284, - "model_record": { - "m": 4.8197, - "sigma": 3.8391, - "epsilon_k": 246.5082, - "mu": 1.1992, - "viscosity": [ - -1.4947, - -3.6239, - -0.8585, - -0.1456 - ] - } - }, - { - "identifier": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3", - "formula": "C6H14O" - }, - "molarweight": 102.177, - "model_record": { - "m": 3.4881, - "sigma": 3.6961, - "epsilon_k": 234.0444, - "mu": 1.2112, - "viscosity": [ - -1.1967, - -2.5254, - -0.4272, - -0.1005 - ] - } - }, - { - "identifier": { - "cas": "4390-04-9", - "name": "2,2,4,4,6,8,8-heptamethylnonane", - "iupac_name": "2,2,4,4,6,8,8-heptamethylnonane", - "smiles": "CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3", - "formula": "C16H34" - }, - "molarweight": 226.446, - "model_record": { - "m": 5.017, - "sigma": 4.3017, - "epsilon_k": 266.5519, - "viscosity": [ - -1.3808, - -3.2389, - -0.6518, - -0.1931 - ] - } - }, - { - "identifier": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3", - "formula": "C8H18" - }, - "molarweight": 114.231, - "model_record": { - "m": 3.1352, - "sigma": 4.0918, - "epsilon_k": 250.0059, - "viscosity": [ - -1.1464, - -2.7647, - -0.5615, - -0.1107 - ] - } - }, - { - "identifier": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "model_record": { - "m": 2.6008, - "sigma": 4.0042, - "epsilon_k": 243.51, - "viscosity": [ - -0.9375, - -2.1668, - -0.2861, - -0.0865 - ] - } - }, - { - "identifier": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3", - "formula": "C5H12" - }, - "molarweight": 72.15, - "model_record": { - "m": 2.3543, - "sigma": 3.955, - "epsilon_k": 225.69, - "viscosity": [ - -0.7986, - -2.0899, - -0.2188, - -0.0737 - ] - } - }, - { - "identifier": { - "cas": "565-75-3", - "name": "2,3,4-trimethyl pentane", - "iupac_name": "2,3,4-trimethylpentane", - "smiles": "CC(C)C(C)C(C)C", - "inchi": "InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3", - "formula": "C8H18" - }, - "molarweight": 114.231, - "model_record": { - "m": 3.198, - "sigma": 4.025, - "epsilon_k": 258.5959, - "viscosity": [ - -1.3623, - -2.932, - -0.5877, - -0.1107 - ] - } - }, - { - "identifier": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "model_record": { - "m": 2.6853, - "sigma": 3.9545, - "epsilon_k": 246.07, - "viscosity": [ - -1.177, - -2.4259, - -0.3992, - -0.0865 - ] - } - }, - { - "identifier": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3", - "formula": "C7H16" - }, - "molarweight": 100.204, - "model_record": { - "m": 3.1235, - "sigma": 3.9346, - "epsilon_k": 239.7005, - "viscosity": [ - -1.2789, - -2.7334, - -0.5402, - -0.0988 - ] - } - }, - { - "identifier": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3", - "formula": "C30H62" - }, - "molarweight": 422.822, - "model_record": { - "m": 9.734, - "sigma": 4.2525, - "epsilon_k": 263.7664, - "viscosity": [ - -2.6069, - -5.3734, - -1.3691, - -0.2979 - ] - } - }, - { - "identifier": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "CC(C)(C)OC", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "model_record": { - "m": 2.9286, - "sigma": 3.711, - "epsilon_k": 233.9573, - "mu": 1.361, - "viscosity": [ - -0.9246, - -2.401, - -0.426, - -0.0883 - ] - } - }, - { - "identifier": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3", - "formula": "C5H12" - }, - "molarweight": 72.15, - "model_record": { - "m": 2.562, - "sigma": 3.8296, - "epsilon_k": 230.75, - "viscosity": [ - -1.0805, - -2.4514, - -0.439, - -0.0737 - ] - } - }, - { - "identifier": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "model_record": { - "m": 2.9317, - "sigma": 3.8535, - "epsilon_k": 235.58, - "viscosity": [ - -1.191, - -2.5695, - -0.4813, - -0.0865 - ] - } - }, - { - "identifier": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "CC(=C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3", - "formula": "C4H8" - }, - "molarweight": 56.108, - "model_record": { - "m": 2.2515, - "sigma": 3.6636, - "epsilon_k": 223.2165, - "mu": 0.5006, - "viscosity": [ - -0.9838, - -2.1027, - -0.3034, - -0.0585 - ] - } - }, - { - "identifier": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3", - "formula": "C4H8O" - }, - "molarweight": 72.107, - "model_record": { - "m": 2.6157, - "sigma": 3.5699, - "epsilon_k": 251.5072, - "mu": 2.6981, - "viscosity": [ - -0.5688, - -2.2652, - -0.4374, - -0.0737 - ] - } - }, - { - "identifier": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3", - "formula": "C4H10" - }, - "molarweight": 58.123, - "model_record": { - "m": 2.2616, - "sigma": 3.7574, - "epsilon_k": 216.53, - "viscosity": [ - -0.9521, - -2.2586, - -0.3438, - -0.0605 - ] - } - }, - { - "identifier": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3", - "formula": "C6H14O" - }, - "molarweight": 102.177, - "model_record": { - "m": 3.5466, - "sigma": 3.6737, - "epsilon_k": 216.8508, - "mu": 1.1302, - "viscosity": [ - -1.3532, - -2.8157, - -0.5234, - -0.1005 - ] - } - }, - { - "identifier": { - "cas": "617-78-7", - "name": "3-ethylpentane", - "iupac_name": "3-ethylpentane", - "smiles": "CCC(CC)CC", - "inchi": "InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3", - "formula": "C7H16" - }, - "molarweight": 100.204, - "model_record": { - "m": 3.1886, - "sigma": 3.887, - "epsilon_k": 247.0555, - "viscosity": [ - -1.2889, - -2.6369, - -0.5094, - -0.0988 - ] - } - }, - { - "identifier": { - "cas": "590-86-3", - "name": "3-methylbutyraldehyde", - "iupac_name": "3-methylbutanal", - "smiles": "CC(C)CC=O", - "inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3", - "formula": "C5H10O" - }, - "molarweight": 86.134, - "model_record": { - "m": 3.0004, - "sigma": 3.6188, - "epsilon_k": 255.2047, - "mu": 2.6082, - "viscosity": [ - -0.6655, - -1.8956, - -0.2519, - -0.0865 - ] - } - }, - { - "identifier": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(C)CCOC(=O)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3", - "formula": "C7H14O2" - }, - "molarweight": 130.187, - "model_record": { - "m": 4.0348, - "sigma": 3.6672, - "epsilon_k": 247.4168, - "mu": 1.7987, - "viscosity": [ - -1.4118, - -2.9353, - -0.5861, - -0.1238 - ] - } - }, - { - "identifier": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "model_record": { - "m": 2.8852, - "sigma": 3.8605, - "epsilon_k": 240.48, - "viscosity": [ - -1.191, - -2.5416, - -0.469, - -0.0865 - ] - } - }, - { - "identifier": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(C)CC(=O)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3", - "formula": "C6H12O" - }, - "molarweight": 100.161, - "model_record": { - "m": 3.473, - "sigma": 3.6296, - "epsilon_k": 250.53, - "mu": 2.6891, - "viscosity": [ - -1.3442, - -3.0229, - -0.6378, - -0.0988 - ] - } - }, - { - "identifier": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3", - "formula": "C4H11N" - }, - "molarweight": 73.138, - "model_record": { - "m": 1.3688, - "sigma": 4.7262, - "epsilon_k": 295.2136, - "mu": 0.9204, - "kappa_ab": 0.03, - "epsilon_k_ab": 1547.4422, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.6824, - -2.129, - -0.5989, - -0.0746 - ] - } - }, - { - "identifier": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3", - "formula": "C2H7N" - }, - "molarweight": 45.084, - "model_record": { - "m": 2.2493, - "sigma": 3.3738, - "epsilon_k": 226.4848, - "mu": 1.0313, - "kappa_ab": 0.03, - "epsilon_k_ab": 959.5053, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.3807, - 2.1585, - 0.9391, - -0.0477 - ] - } - }, - { - "identifier": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3", - "formula": "C6H15N" - }, - "molarweight": 101.192, - "model_record": { - "m": 3.6653, - "sigma": 3.6551, - "epsilon_k": 240.4467, - "mu": 1.07, - "kappa_ab": 0.03, - "epsilon_k_ab": 39.2881, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.8987, - -2.1083, - -0.2763, - -0.0997 - ] - } - }, - { - "identifier": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3", - "formula": "C2H4O" - }, - "molarweight": 44.053, - "model_record": { - "m": 2.1188, - "sigma": 3.246, - "epsilon_k": 229.8505, - "mu": 2.6891, - "viscosity": [ - -0.3574, - -0.7933, - 0.1404, - -0.0467 - ] - } - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "C1=CC=CC=C1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H", - "formula": "C6H6" - }, - "molarweight": 78.114, - "model_record": { - "m": 2.2463, - "sigma": 3.7852, - "epsilon_k": 296.24, - "q": 5.5907, - "viscosity": [ - -1.0929, - -2.2871, - -0.4125, - -0.0792 - ] - } - }, - { - "identifier": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "C(F)(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5", - "formula": "CBrF3" - }, - "molarweight": 148.91, - "model_record": { - "m": 2.1338, - "sigma": 3.5126, - "epsilon_k": 185.5387, - "mu": 0.6505, - "viscosity": [ - -0.9604, - -2.6583, - -0.7764, - -0.1385 - ] - } - }, - { - "identifier": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3", - "formula": "C4H11N" - }, - "molarweight": 73.138, - "model_record": { - "m": 1.7814, - "sigma": 4.2631, - "epsilon_k": 293.8144, - "mu": 1.391, - "kappa_ab": 0.03, - "epsilon_k_ab": 1497.5173, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.8691, - -2.3216, - -0.5911, - -0.0746 - ] - } - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "model_record": { - "m": 4.2768, - "sigma": 3.0659, - "epsilon_k": 217.7082, - "mu": 1.6698, - "kappa_ab": 0.03, - "epsilon_k_ab": 1846.2029, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.0065, - -1.88906, - -0.12523, - -0.07554 - ] - } - }, - { - "identifier": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "model_record": { - "m": 4.4207, - "sigma": 3.0151, - "epsilon_k": 205.1808, - "mu": 1.6608, - "kappa_ab": 0.03, - "epsilon_k_ab": 1718.0488, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.9864, - -1.3818, - 0.203, - -0.0755 - ] - } - }, - { - "identifier": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(=O)C", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3", - "formula": "C4H8O" - }, - "molarweight": 72.107, - "model_record": { - "m": 2.9835, - "sigma": 3.4239, - "epsilon_k": 244.99, - "mu": 2.78, - "viscosity": [ - -1.1653, - -2.4287, - -0.4373, - -0.0737 - ] - } - }, - { - "identifier": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3", - "formula": "C4H8O" - }, - "molarweight": 72.107, - "model_record": { - "m": 2.8825, - "sigma": 3.4698, - "epsilon_k": 247.09, - "mu": 2.72, - "viscosity": [ - -0.5809, - -2.0176, - -0.3375, - -0.0737 - ] - } - }, - { - "identifier": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3", - "formula": "C4H10" - }, - "molarweight": 58.123, - "model_record": { - "m": 2.3316, - "sigma": 3.7086, - "epsilon_k": 222.88, - "viscosity": [ - -0.9763, - -2.2413, - -0.369, - -0.0605 - ] - } - }, - { - "identifier": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(=O)C", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", - "formula": "C6H12O2" - }, - "molarweight": 116.16, - "model_record": { - "m": 3.9629, - "sigma": 3.5482, - "epsilon_k": 242.27, - "mu": 1.87, - "viscosity": [ - -1.3379, - -2.7683, - -0.5104, - -0.1123 - ] - } - }, - { - "identifier": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3", - "formula": "C10H14" - }, - "molarweight": 134.221, - "model_record": { - "m": 3.7662, - "sigma": 3.8727, - "epsilon_k": 283.07, - "viscosity": [ - -1.4557, - -2.8655, - -0.5777, - -0.127 - ] - } - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "C(=O)=O", - "inchi": "InChI=1S/CO2/c2-1-3", - "formula": "CO2" - }, - "molarweight": 44.01, - "model_record": { - "m": 1.5131, - "sigma": 3.1869, - "epsilon_k": 163.33, - "q": 4.4, - "viscosity": [ - -0.5138, - -1.3768, - -0.2074, - -0.0467 - ] - } - }, - { - "identifier": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)C1=CC=CC=C1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3", - "formula": "C9H12" - }, - "molarweight": 120.194, - "model_record": { - "m": 3.3779, - "sigma": 3.8376, - "epsilon_k": 281.5324, - "mu": 0.3897, - "viscosity": [ - -1.3671, - -2.8169, - -0.6018, - -0.1157 - ] - } - }, - { - "identifier": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2", - "formula": "C6H12" - }, - "molarweight": 84.161, - "model_record": { - "m": 2.5303, - "sigma": 3.8499, - "epsilon_k": 278.11, - "viscosity": [ - -0.9982, - -2.3823, - -0.3169, - -0.0847 - ] - } - }, - { - "identifier": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2", - "formula": "C8H16" - }, - "molarweight": 112.215, - "model_record": { - "m": 2.9236, - "sigma": 3.9831, - "epsilon_k": 304.8636, - "viscosity": [ - -1.3132, - -2.4521, - -0.3023, - -0.109 - ] - } - }, - { - "identifier": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2", - "formula": "C5H10" - }, - "molarweight": 70.134, - "model_record": { - "m": 2.3655, - "sigma": 3.7114, - "epsilon_k": 265.83, - "viscosity": [ - -0.8485, - -2.3053, - -0.3801, - -0.0718 - ] - } - }, - { - "identifier": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "CCCCCCCCC=C", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3", - "formula": "C10H20" - }, - "molarweight": 140.269, - "model_record": { - "m": 4.4503, - "sigma": 3.8544, - "epsilon_k": 248.2291, - "mu": 0.4197, - "viscosity": [ - -1.5058, - -3.2891, - -0.7212, - -0.1318 - ] - } - }, - { - "identifier": { - "cas": "2016-57-1", - "name": "n-decylamine", - "iupac_name": "decan-1-amine", - "smiles": "CCCCCCCCCCN", - "inchi": "InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3", - "formula": "C10H23N" - }, - "molarweight": 157.299, - "model_record": { - "m": 2.4141, - "sigma": 4.9185, - "epsilon_k": 313.772, - "mu": 1.409, - "kappa_ab": 0.03, - "epsilon_k_ab": 2644.5966, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.3992, - -3.2065, - -1.039, - -0.1449 - ] - } - }, - { - "identifier": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3", - "formula": "C10H22O" - }, - "molarweight": 158.284, - "model_record": { - "m": 5.7328, - "sigma": 3.596, - "epsilon_k": 243.7089, - "mu": 1.6189, - "kappa_ab": 0.03, - "epsilon_k_ab": 1967.8312, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.5371, - -2.97397, - -0.50795, - -0.14562 - ] - } - }, - { - "identifier": { - "cas": "112-31-2", - "name": "n-decanal", - "iupac_name": "decanal", - "smiles": "CCCCCCCCCC=O", - "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3", - "formula": "C10H20O" - }, - "molarweight": 156.268, - "model_record": { - "m": 5.2885, - "sigma": 3.6634, - "epsilon_k": 251.9655, - "mu": 2.5782, - "viscosity": [ - -1.0452, - -2.9497, - -0.6641, - -0.1441 - ] - } - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3", - "formula": "C10H22" - }, - "molarweight": 142.285, - "model_record": { - "m": 4.6627, - "sigma": 3.8384, - "epsilon_k": 243.87, - "viscosity": [ - -1.5367, - -3.149, - -0.6154, - -0.1334 - ] - } - }, - { - "identifier": { - "cas": "75-43-4", - "name": "dichlorofluoromethane [r21]", - "iupac_name": "dichloro(fluoro)methane", - "smiles": "C(F)(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H", - "formula": "CHCl2F" - }, - "molarweight": 102.923, - "model_record": { - "m": 2.4475, - "sigma": 3.3353, - "epsilon_k": 229.5168, - "mu": 1.2891, - "viscosity": [ - -0.985, - -2.3249, - -0.4743, - -0.1012 - ] - } - }, - { - "identifier": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "C(F)F", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2", - "formula": "CH2F2" - }, - "molarweight": 52.024, - "model_record": { - "m": 2.4382, - "sigma": 2.8148, - "epsilon_k": 162.6954, - "mu": 1.9786, - "viscosity": [ - -1.0833, - -1.9968, - -0.2503, - -0.0546 - ] - } - }, - { - "identifier": { - "cas": "629-97-0", - "name": "docosane", - "iupac_name": "docosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3", - "formula": "C22H46" - }, - "molarweight": 310.607, - "model_record": { - "m": 8.9886, - "sigma": 3.9466, - "epsilon_k": 253.9514, - "viscosity": [ - -2.2094, - -4.3373, - -0.9708, - -0.243 - ] - } - }, - { - "identifier": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3", - "formula": "C12H26O" - }, - "molarweight": 186.338, - "model_record": { - "m": 6.2353, - "sigma": 3.6999, - "epsilon_k": 249.0952, - "mu": 1.6908, - "kappa_ab": 0.03, - "epsilon_k_ab": 2002.9613, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.6684, - -3.9471, - -0.9305, - -0.1661 - ] - } - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3", - "formula": "C12H26" - }, - "molarweight": 170.338, - "model_record": { - "m": 5.306, - "sigma": 3.8959, - "epsilon_k": 249.21, - "viscosity": [ - -1.6719, - -3.3902, - -0.6956, - -0.1546 - ] - } - }, - { - "identifier": { - "cas": "123-01-3", - "name": "1-phenyldodecane", - "iupac_name": "dodecylbenzene", - "smiles": "CCCCCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3", - "formula": "C18H30" - }, - "molarweight": 246.436, - "model_record": { - "m": 6.8535, - "sigma": 3.9041, - "epsilon_k": 270.8303, - "viscosity": [ - -1.963, - -3.772, - -0.8318, - -0.2058 - ] - } - }, - { - "identifier": { - "cas": "544-85-4", - "name": "dotriacontane", - "iupac_name": "dotriacontane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3", - "formula": "C32H66" - }, - "molarweight": 450.876, - "model_record": { - "m": 12.1112, - "sigma": 4.0303, - "epsilon_k": 258.4649, - "viscosity": [ - -2.6388, - -5.1, - -1.2007, - -0.31 - ] - } - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3", - "formula": "C2H6" - }, - "molarweight": 30.07, - "model_record": { - "m": 1.6069, - "sigma": 3.5206, - "epsilon_k": 191.42, - "viscosity": [ - -0.5741, - -1.5923, - -0.1959, - -0.0325 - ] - } - }, - { - "identifier": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "C(CO)O", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2", - "formula": "C2H6O2" - }, - "molarweight": 62.068, - "model_record": { - "m": 2.6124, - "sigma": 3.1536, - "epsilon_k": 310.114, - "mu": 2.4103, - "kappa_ab": 0.03, - "epsilon_k_ab": 2711.6591, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.7689, - -0.9258, - -0.1133, - -0.0642 - ] - } - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3", - "formula": "C2H6O" - }, - "molarweight": 46.069, - "model_record": { - "m": 2.3723, - "sigma": 3.1964, - "epsilon_k": 203.8245, - "mu": 1.6908, - "kappa_ab": 0.03, - "epsilon_k_ab": 2514.0609, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.08153, - -1.1998, - -0.13292, - -0.0487 - ] - } - }, - { - "identifier": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2", - "formula": "C2H4" - }, - "molarweight": 28.054, - "model_record": { - "m": 1.5425, - "sigma": 3.4523, - "epsilon_k": 179.37, - "q": 2.0, - "viscosity": [ - -0.4941, - -1.4818, - -0.1407, - -0.0304 - ] - } - }, - { - "identifier": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "CC(=O)OC=C", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3", - "formula": "C4H6O2" - }, - "molarweight": 86.09, - "model_record": { - "m": 3.3946, - "sigma": 3.2692, - "epsilon_k": 232.2234, - "mu": 1.7897, - "viscosity": [ - -1.1242, - -2.4374, - -0.4095, - -0.0864 - ] - } - }, - { - "identifier": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", - "formula": "C4H10O" - }, - "molarweight": 74.123, - "model_record": { - "m": 2.9726, - "sigma": 3.5127, - "epsilon_k": 219.53, - "mu": 1.15, - "viscosity": [ - -1.007, - -2.2992, - -0.3894, - -0.0755 - ] - } - }, - { - "identifier": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCC1=CC=CC=C1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", - "formula": "C8H10" - }, - "molarweight": 106.167, - "model_record": { - "m": 3.0799, - "sigma": 3.7974, - "epsilon_k": 287.35, - "viscosity": [ - -1.2856, - -2.6929, - -0.5605, - -0.1039 - ] - } - }, - { - "identifier": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "C(F)(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H", - "formula": "CHF3" - }, - "molarweight": 70.014, - "model_record": { - "m": 2.5662, - "sigma": 2.8588, - "epsilon_k": 140.9286, - "mu": 1.6488, - "viscosity": [ - -1.0556, - -2.0562, - -0.2825, - -0.0717 - ] - } - }, - { - "identifier": { - "cas": "629-94-7", - "name": "heneicosane", - "iupac_name": "henicosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3", - "formula": "C21H44" - }, - "molarweight": 296.58, - "model_record": { - "m": 8.7495, - "sigma": 3.9192, - "epsilon_k": 252.3877, - "viscosity": [ - -2.1622, - -4.2184, - -0.9136, - -0.2353 - ] - } - }, - { - "identifier": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "CCCCCC=C", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3", - "formula": "C7H14" - }, - "molarweight": 98.188, - "model_record": { - "m": 3.2863, - "sigma": 3.8138, - "epsilon_k": 243.7559, - "mu": 0.6296, - "viscosity": [ - -1.2614, - -2.6535, - -0.5149, - -0.0971 - ] - } - }, - { - "identifier": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3", - "formula": "C17H36" - }, - "molarweight": 240.473, - "model_record": { - "m": 6.9809, - "sigma": 3.9675, - "epsilon_k": 255.65, - "viscosity": [ - -1.9615, - -3.8823, - -0.8386, - -0.2021 - ] - } - }, - { - "identifier": { - "cas": "111-68-2", - "name": "heptylamine", - "iupac_name": "heptan-1-amine", - "smiles": "CCCCCCCN", - "inchi": "InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3", - "formula": "C7H17N" - }, - "molarweight": 115.219, - "model_record": { - "m": 1.688, - "sigma": 5.0417, - "epsilon_k": 328.7725, - "mu": 1.6608, - "kappa_ab": 0.03, - "epsilon_k_ab": 2220.2939, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.1698, - -3.4917, - -1.0288, - -0.1116 - ] - } - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3", - "formula": "C7H16O" - }, - "molarweight": 116.203, - "model_record": { - "m": 4.7248, - "sigma": 3.461, - "epsilon_k": 237.6069, - "mu": 1.7388, - "kappa_ab": 0.03, - "epsilon_k_ab": 1956.8424, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.3075, - -2.24414, - -0.26729, - -0.11237 - ] - } - }, - { - "identifier": { - "cas": "543-49-7", - "name": "2-heptanol", - "iupac_name": "heptan-2-ol", - "smiles": "CCCCCC(C)O", - "inchi": "InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3", - "formula": "C7H16O" - }, - "molarweight": 116.203, - "model_record": { - "m": 5.135, - "sigma": 3.3462, - "epsilon_k": 219.5951, - "mu": 1.6488, - "kappa_ab": 0.03, - "epsilon_k_ab": 1878.5922, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.3001, - -1.7492, - 0.0215, - -0.1124 - ] - } - }, - { - "identifier": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3", - "formula": "C7H14O" - }, - "molarweight": 114.188, - "model_record": { - "m": 3.7347, - "sigma": 3.6958, - "epsilon_k": 259.1972, - "mu": 2.5002, - "viscosity": [ - -1.4324, - -2.8019, - -0.5333, - -0.1107 - ] - } - }, - { - "identifier": { - "cas": "111-71-7", - "name": "heptanal", - "iupac_name": "heptanal", - "smiles": "CCCCCCC=O", - "inchi": "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3", - "formula": "C7H14O" - }, - "molarweight": 114.188, - "model_record": { - "m": 3.8527, - "sigma": 3.66, - "epsilon_k": 260.6984, - "mu": 2.5782, - "viscosity": [ - -0.8376, - -2.8879, - -0.6488, - -0.1107 - ] - } - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3", - "formula": "C7H16" - }, - "molarweight": 100.204, - "model_record": { - "m": 3.4831, - "sigma": 3.8049, - "epsilon_k": 238.4, - "viscosity": [ - -1.2979, - -2.6936, - -0.4951, - -0.0988 - ] - } - }, - { - "identifier": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(=O)C", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3", - "formula": "C9H18O2" - }, - "molarweight": 158.241, - "model_record": { - "m": 5.3414, - "sigma": 3.5818, - "epsilon_k": 240.1371, - "mu": 1.8707, - "viscosity": [ - -1.556, - -3.0556, - -0.5314, - -0.1456 - ] - } - }, - { - "identifier": { - "cas": "1078-71-3", - "name": "heptylbenzene", - "iupac_name": "heptylbenzene", - "smiles": "CCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3", - "formula": "C13H20" - }, - "molarweight": 176.302, - "model_record": { - "m": 4.5229, - "sigma": 3.9994, - "epsilon_k": 289.0709, - "viscosity": [ - -1.6693, - -3.4376, - -0.8015, - -0.1589 - ] - } - }, - { - "identifier": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "CCCCC=C", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3", - "formula": "C6H12" - }, - "molarweight": 84.161, - "model_record": { - "m": 2.9853, - "sigma": 3.7753, - "epsilon_k": 236.81, - "viscosity": [ - -1.164, - -2.4505, - -0.4432, - -0.0847 - ] - } - }, - { - "identifier": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3", - "formula": "C16H34O" - }, - "molarweight": 242.445, - "model_record": { - "m": 7.0917, - "sigma": 3.8845, - "epsilon_k": 259.4044, - "mu": 1.6698, - "kappa_ab": 0.03, - "epsilon_k_ab": 2140.2545, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.8993, - -3.0227, - -0.5234, - -0.2033 - ] - } - }, - { - "identifier": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3", - "formula": "C16H34" - }, - "molarweight": 226.446, - "model_record": { - "m": 6.6485, - "sigma": 3.9552, - "epsilon_k": 254.7, - "viscosity": [ - -1.9077, - -3.8125, - -0.829, - -0.1931 - ] - } - }, - { - "identifier": { - "cas": "111-26-2", - "name": "hexylamine", - "iupac_name": "hexan-1-amine", - "smiles": "CCCCCCN", - "inchi": "InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3", - "formula": "C6H15N" - }, - "molarweight": 101.192, - "model_record": { - "m": 3.9434, - "sigma": 3.5463, - "epsilon_k": 247.4674, - "mu": 1.5889, - "kappa_ab": 0.03, - "epsilon_k_ab": 82.5108, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.0803, - -2.3348, - -0.3037, - -0.0997 - ] - } - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", - "formula": "C6H14O" - }, - "molarweight": 102.177, - "model_record": { - "m": 4.3974, - "sigma": 3.3897, - "epsilon_k": 235.5309, - "mu": 1.6488, - "kappa_ab": 0.03, - "epsilon_k_ab": 1930.6231, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.218, - -2.0634, - -0.21639, - -0.10052 - ] - } - }, - { - "identifier": { - "cas": "626-93-7", - "name": "2-hexanol", - "iupac_name": "hexan-2-ol", - "smiles": "CCCCC(C)O", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3", - "formula": "C6H14O" - }, - "molarweight": 102.177, - "model_record": { - "m": 4.7812, - "sigma": 3.2816, - "epsilon_k": 217.9545, - "mu": 1.6578, - "kappa_ab": 0.03, - "epsilon_k_ab": 1793.3615, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.2075, - -1.7111, - 0.0319, - -0.1005 - ] - } - }, - { - "identifier": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(=O)C", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3", - "formula": "C6H12O" - }, - "molarweight": 100.161, - "model_record": { - "m": 3.5951, - "sigma": 3.5814, - "epsilon_k": 254.4017, - "mu": 2.6801, - "viscosity": [ - -1.3512, - -2.5662, - -0.4335, - -0.0988 - ] - } - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3", - "formula": "C6H14" - }, - "molarweight": 86.177, - "model_record": { - "m": 3.0576, - "sigma": 3.7983, - "epsilon_k": 236.77, - "viscosity": [ - -1.2035, - -2.5958, - -0.4816, - -0.0865 - ] - } - }, - { - "identifier": { - "cas": "630-06-8", - "name": "hexatriacontane", - "iupac_name": "hexatriacontane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3", - "formula": "C36H74" - }, - "molarweight": 506.984, - "model_record": { - "m": 13.0294, - "sigma": 4.0906, - "epsilon_k": 261.2998, - "viscosity": [ - -2.7953, - -5.655, - -1.4638, - -0.3325 - ] - } - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3", - "formula": "C20H42" - }, - "molarweight": 282.553, - "model_record": { - "m": 7.9849, - "sigma": 3.9869, - "epsilon_k": 257.75, - "viscosity": [ - -2.1139, - -4.1759, - -0.9573, - -0.2273 - ] - } - }, - { - "identifier": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3", - "formula": "CH5N" - }, - "molarweight": 31.057, - "model_record": { - "m": 1.6191, - "sigma": 3.337, - "epsilon_k": 246.3797, - "mu": 1.3101, - "kappa_ab": 0.03, - "epsilon_k_ab": 1103.6088, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.369, - -1.2753, - -0.2168, - -0.0335 - ] - } - }, - { - "identifier": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4", - "formula": "CH4" - }, - "molarweight": 16.043, - "model_record": { - "m": 1.0, - "sigma": 3.7039, - "epsilon_k": 150.03, - "viscosity": [ - -0.0595, - -0.8908, - -0.0348, - -0.0177 - ] - } - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "molarweight": 32.042, - "model_record": { - "m": 1.5073, - "sigma": 3.3248, - "epsilon_k": 211.5975, - "mu": 1.6998, - "kappa_ab": 0.03, - "epsilon_k_ab": 2519.7116, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.577, - -0.44059, - 0.03545, - -0.01064 - ] - } - }, - { - "identifier": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3", - "formula": "C2H6O" - }, - "molarweight": 46.069, - "model_record": { - "m": 2.2634, - "sigma": 3.2723, - "epsilon_k": 210.29, - "mu": 1.3, - "viscosity": [ - -0.8518, - -1.8921, - -0.2578, - -0.0487 - ] - } - }, - { - "identifier": { - "cas": "7727-37-9", - "name": "nitrogen", - "iupac_name": "molecular nitrogen", - "smiles": "N#N", - "inchi": "InChI=1S/N2/c1-2", - "formula": "N2" - }, - "molarweight": 28.014, - "model_record": { - "m": 1.1504, - "sigma": 3.3848, - "epsilon_k": 91.4, - "q": 1.43, - "viscosity": [ - -0.1964, - -0.9461, - -0.031, - -0.0303 - ] - } - }, - { - "identifier": { - "cas": "124-11-8", - "name": "1-nonene", - "iupac_name": "non-1-ene", - "smiles": "CCCCCCCC=C", - "inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3", - "formula": "C9H18" - }, - "molarweight": 126.242, - "model_record": { - "m": 4.0617, - "sigma": 3.8452, - "epsilon_k": 247.0709, - "mu": 0.5996, - "viscosity": [ - -1.4305, - -2.7664, - -0.5102, - -0.1206 - ] - } - }, - { - "identifier": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3", - "formula": "C19H40" - }, - "molarweight": 268.527, - "model_record": { - "m": 7.7175, - "sigma": 3.9721, - "epsilon_k": 256.0, - "viscosity": [ - -2.0644, - -4.0653, - -0.8991, - -0.2191 - ] - } - }, - { - "identifier": { - "cas": "112-20-9", - "name": "1-aminononane", - "iupac_name": "nonan-1-amine", - "smiles": "CCCCCCCCCN", - "inchi": "InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3", - "formula": "C9H21N" - }, - "molarweight": 143.272, - "model_record": { - "m": 2.0093, - "sigma": 5.07, - "epsilon_k": 314.0984, - "mu": 0.8994, - "kappa_ab": 0.03, - "epsilon_k_ab": 2731.5672, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.3279, - -3.1517, - -1.0221, - -0.1341 - ] - } - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", - "formula": "C9H20O" - }, - "molarweight": 144.257, - "model_record": { - "m": 4.749, - "sigma": 3.729, - "epsilon_k": 253.6291, - "mu": 1.6099, - "kappa_ab": 0.03, - "epsilon_k_ab": 2073.3555, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.4657, - -2.71167, - -0.49511, - -0.13491 - ] - } - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3", - "formula": "C9H20" - }, - "molarweight": 128.258, - "model_record": { - "m": 4.2079, - "sigma": 3.8448, - "epsilon_k": 244.51, - "viscosity": [ - -1.4629, - -3.0058, - -0.5842, - -0.1222 - ] - } - }, - { - "identifier": { - "cas": "1081-77-2", - "name": "nonylbenzene", - "iupac_name": "nonylbenzene", - "smiles": "CCCCCCCCCC1=CC=CC=C1", - "inchi": "InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3", - "formula": "C15H24" - }, - "molarweight": 204.356, - "model_record": { - "m": 5.6327, - "sigma": 3.9104, - "epsilon_k": 275.8787, - "viscosity": [ - -1.7939, - -3.5061, - -0.7608, - -0.1785 - ] - } - }, - { - "identifier": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "CCCCCCC=C", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3", - "formula": "C8H16" - }, - "molarweight": 112.215, - "model_record": { - "m": 3.7424, - "sigma": 3.8133, - "epsilon_k": 243.02, - "viscosity": [ - -1.3495, - -2.8423, - -0.5594, - -0.109 - ] - } - }, - { - "identifier": { - "cas": "630-02-4", - "name": "octacosane", - "iupac_name": "octacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3", - "formula": "C28H58" - }, - "molarweight": 394.769, - "model_record": { - "m": 11.4145, - "sigma": 3.9318, - "epsilon_k": 252.3643, - "viscosity": [ - -2.4748, - -5.1281, - -1.2775, - -0.2852 - ] - } - }, - { - "identifier": { - "cas": "112-92-5", - "name": "1-octadecanol", - "iupac_name": "octadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3", - "formula": "C18H38O" - }, - "molarweight": 270.499, - "model_record": { - "m": 7.3343, - "sigma": 3.9962, - "epsilon_k": 266.5143, - "mu": 1.6608, - "kappa_ab": 0.03, - "epsilon_k_ab": 2150.7482, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -2.0036, - -3.7363, - -0.8864, - -0.2203 - ] - } - }, - { - "identifier": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3", - "formula": "C18H38" - }, - "molarweight": 254.5, - "model_record": { - "m": 7.3271, - "sigma": 3.9668, - "epsilon_k": 256.2, - "viscosity": [ - -2.0137, - -4.0711, - -0.9298, - -0.2107 - ] - } - }, - { - "identifier": { - "cas": "111-86-4", - "name": "1-octanamine", - "iupac_name": "octan-1-amine", - "smiles": "CCCCCCCCN", - "inchi": "InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3", - "formula": "C8H19N" - }, - "molarweight": 129.246, - "model_record": { - "m": 1.9349, - "sigma": 4.9721, - "epsilon_k": 315.3046, - "mu": 1.421, - "kappa_ab": 0.03, - "epsilon_k_ab": 2476.9879, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.2518, - -2.9995, - -0.9478, - -0.123 - ] - } - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", - "formula": "C8H18O" - }, - "molarweight": 130.23, - "model_record": { - "m": 5.7204, - "sigma": 3.3562, - "epsilon_k": 228.8515, - "mu": 1.6488, - "kappa_ab": 0.03, - "epsilon_k_ab": 1869.8446, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.3896, - -2.58867, - -0.28276, - -0.12383 - ] - } - }, - { - "identifier": { - "cas": "123-96-6", - "name": "2-octanol", - "iupac_name": "octan-2-ol", - "smiles": "CCCCCCC(C)O", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3", - "formula": "C8H18O" - }, - "molarweight": 130.23, - "model_record": { - "m": 5.7545, - "sigma": 3.3545, - "epsilon_k": 220.9018, - "mu": 1.6488, - "kappa_ab": 0.03, - "epsilon_k_ab": 1721.3869, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.3845, - -1.1782, - 0.3771, - -0.1238 - ] - } - }, - { - "identifier": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "smiles": "CCCCCCC(=O)C", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3", - "formula": "C8H16O" - }, - "molarweight": 128.214, - "model_record": { - "m": 4.467, - "sigma": 3.6222, - "epsilon_k": 252.4353, - "mu": 2.4613, - "viscosity": [ - -1.5078, - -2.842, - -0.5162, - -0.1222 - ] - } - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", - "formula": "C8H18" - }, - "molarweight": 114.231, - "model_record": { - "m": 3.8176, - "sigma": 3.8373, - "epsilon_k": 242.78, - "viscosity": [ - -1.3837, - -2.8569, - -0.5461, - -0.1107 - ] - } - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3", - "formula": "C15H32" - }, - "molarweight": 212.419, - "model_record": { - "m": 6.2855, - "sigma": 3.9531, - "epsilon_k": 254.14, - "viscosity": [ - -1.8521, - -3.7647, - -0.8216, - -0.1839 - ] - } - }, - { - "identifier": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3", - "formula": "C5H13N" - }, - "molarweight": 87.165, - "model_record": { - "m": 1.6177, - "sigma": 4.656, - "epsilon_k": 302.1019, - "mu": 1.5499, - "kappa_ab": 0.03, - "epsilon_k_ab": 1923.3059, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.9812, - -2.6533, - -0.7457, - -0.0874 - ] - } - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "model_record": { - "m": 4.305, - "sigma": 3.2421, - "epsilon_k": 228.6214, - "mu": 1.7, - "kappa_ab": 0.03, - "epsilon_k_ab": 1835.0315, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.1188, - -2.22062, - -0.25493, - -0.08825 - ] - } - }, - { - "identifier": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "model_record": { - "m": 5.2839, - "sigma": 3.0076, - "epsilon_k": 200.0793, - "mu": 1.6668, - "kappa_ab": 0.03, - "epsilon_k_ab": 1713.2429, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.1043, - -1.0389, - 0.4671, - -0.0883 - ] - } - }, - { - "identifier": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(CC)O", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "model_record": { - "m": 4.7983, - "sigma": 3.0947, - "epsilon_k": 203.9658, - "mu": 1.6399, - "kappa_ab": 0.03, - "epsilon_k_ab": 1806.0011, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.1043, - -0.9823, - 0.4199, - -0.0883 - ] - } - }, - { - "identifier": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3", - "formula": "C5H10O" - }, - "molarweight": 86.134, - "model_record": { - "m": 3.2786, - "sigma": 3.5159, - "epsilon_k": 248.69, - "mu": 2.82, - "viscosity": [ - -1.2629, - -2.5335, - -0.4528, - -0.0865 - ] - } - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3", - "formula": "C5H12" - }, - "molarweight": 72.15, - "model_record": { - "m": 2.6896, - "sigma": 3.7729, - "epsilon_k": 231.2, - "viscosity": [ - -1.0978, - -2.4577, - -0.4397, - -0.0737 - ] - } - }, - { - "identifier": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(=O)C", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3", - "formula": "C7H14O2" - }, - "molarweight": 130.187, - "model_record": { - "m": 4.1066, - "sigma": 3.646, - "epsilon_k": 249.3581, - "mu": 1.7208, - "viscosity": [ - -1.4154, - -2.7149, - -0.4738, - -0.1238 - ] - } - }, - { - "identifier": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "CC=C", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3", - "formula": "C3H6" - }, - "molarweight": 42.081, - "model_record": { - "m": 1.9597, - "sigma": 3.5356, - "epsilon_k": 207.19, - "viscosity": [ - -0.7728, - -1.9599, - -0.2842, - -0.0447 - ] - } - }, - { - "identifier": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3", - "formula": "C3H9N" - }, - "molarweight": 59.111, - "model_record": { - "m": 3.4083, - "sigma": 3.1114, - "epsilon_k": 217.4541, - "mu": 1.1692, - "kappa_ab": 0.03, - "epsilon_k_ab": 86.0572, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.7383, - -1.7723, - -0.0548, - -0.0614 - ] - } - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "molarweight": 60.096, - "model_record": { - "m": 3.4604, - "sigma": 3.0742, - "epsilon_k": 217.3745, - "mu": 1.6788, - "kappa_ab": 0.03, - "epsilon_k_ab": 2044.5298, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.8756, - -1.47721, - -0.08931, - -0.06237 - ] - } - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3", - "formula": "C3H8O" - }, - "molarweight": 60.096, - "model_record": { - "m": 4.0249, - "sigma": 2.918, - "epsilon_k": 198.5953, - "mu": 1.6608, - "kappa_ab": 0.03, - "epsilon_k_ab": 1871.8788, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -0.847, - -1.0735, - 0.2102, - -0.0624 - ] - } - }, - { - "identifier": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(=O)C", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3", - "formula": "C3H6O" - }, - "molarweight": 58.08, - "model_record": { - "m": 2.7447, - "sigma": 3.2742, - "epsilon_k": 232.99, - "mu": 2.88, - "viscosity": [ - -1.0551, - -2.22, - -0.3547, - -0.0604 - ] - } - }, - { - "identifier": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3", - "formula": "C3H6O" - }, - "molarweight": 58.08, - "model_record": { - "m": 2.6001, - "sigma": 3.2872, - "epsilon_k": 235.21, - "mu": 2.72, - "viscosity": [ - -0.4766, - -1.3477, - -0.0555, - -0.0604 - ] - } - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3", - "formula": "C3H8" - }, - "molarweight": 44.097, - "model_record": { - "m": 2.002, - "sigma": 3.6184, - "epsilon_k": 208.11, - "viscosity": [ - -0.8013, - -1.9972, - -0.2907, - -0.0467 - ] - } - }, - { - "identifier": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(=O)C", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3", - "formula": "C5H10O2" - }, - "molarweight": 102.133, - "model_record": { - "m": 3.7658, - "sigma": 3.4289, - "epsilon_k": 235.42, - "mu": 1.78, - "viscosity": [ - -1.2543, - -2.2953, - -0.2853, - -0.1005 - ] - } - }, - { - "identifier": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCC1=CC=CC=C1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3", - "formula": "C9H12" - }, - "molarweight": 120.194, - "model_record": { - "m": 3.3438, - "sigma": 3.8438, - "epsilon_k": 288.13, - "viscosity": [ - -1.3743, - -2.1888, - -0.3417, - -0.1157 - ] - } - }, - { - "identifier": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3", - "formula": "C24H50" - }, - "molarweight": 338.661, - "model_record": { - "m": 9.7959, - "sigma": 3.9384, - "epsilon_k": 253.5506, - "viscosity": [ - -2.301, - -4.6041, - -1.0303, - -0.2578 - ] - } - }, - { - "identifier": { - "cas": "112-72-1", - "name": "1-tetradecanol", - "iupac_name": "tetradecan-1-ol", - "smiles": "CCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3", - "formula": "C14H30O" - }, - "molarweight": 214.392, - "model_record": { - "m": 5.9103, - "sigma": 3.9832, - "epsilon_k": 266.3354, - "mu": 1.55, - "kappa_ab": 0.03, - "epsilon_k_ab": 2238.1838, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.7882, - -2.8133, - -0.5546, - -0.1852 - ] - } - }, - { - "identifier": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3", - "formula": "C14H30" - }, - "molarweight": 198.392, - "model_record": { - "m": 5.9002, - "sigma": 3.9396, - "epsilon_k": 254.21, - "viscosity": [ - -1.7945, - -3.5557, - -0.7385, - -0.1744 - ] - } - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "CC1=CC=CC=C1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3", - "formula": "C7H8" - }, - "molarweight": 92.141, - "model_record": { - "m": 2.8149, - "sigma": 3.7169, - "epsilon_k": 285.69, - "viscosity": [ - -1.1874, - -2.4505, - -0.4581, - -0.0918 - ] - } - }, - { - "identifier": { - "cas": "638-68-6", - "name": "triacontane", - "iupac_name": "triacontane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3", - "formula": "C30H62" - }, - "molarweight": 422.822, - "model_record": { - "m": 11.4888, - "sigma": 4.0142, - "epsilon_k": 258.3031, - "viscosity": [ - -2.5579, - -4.7635, - -1.0517, - -0.2979 - ] - } - }, - { - "identifier": { - "cas": "638-67-5", - "name": "tricosane", - "iupac_name": "tricosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3", - "formula": "C23H48" - }, - "molarweight": 324.634, - "model_record": { - "m": 9.3851, - "sigma": 3.9416, - "epsilon_k": 254.1439, - "viscosity": [ - -2.2556, - -4.2312, - -0.8951, - -0.2505 - ] - } - }, - { - "identifier": { - "cas": "112-70-9", - "name": "n-tridecanol", - "iupac_name": "tridecan-1-ol", - "smiles": "CCCCCCCCCCCCCO", - "inchi": "InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3", - "formula": "C13H28O" - }, - "molarweight": 200.365, - "model_record": { - "m": 5.5859, - "sigma": 3.9862, - "epsilon_k": 265.7028, - "mu": 1.6488, - "kappa_ab": 0.03, - "epsilon_k_ab": 2212.4364, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.7295, - -2.8003, - -0.5484, - -0.1758 - ] - } - }, - { - "identifier": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3", - "formula": "C13H28" - }, - "molarweight": 184.365, - "model_record": { - "m": 5.6877, - "sigma": 3.9143, - "epsilon_k": 249.78, - "viscosity": [ - -1.7345, - -3.4695, - -0.7043, - -0.1647 - ] - } - }, - { - "identifier": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3", - "formula": "C11H24O" - }, - "molarweight": 172.311, - "model_record": { - "m": 7.3595, - "sigma": 3.38, - "epsilon_k": 225.1381, - "mu": 1.6698, - "kappa_ab": 0.03, - "epsilon_k_ab": 1888.8681, - "na": 1.0, - "nb": 1.0, - "viscosity": [ - -1.6044, - -3.44231, - -0.5589, - -0.156 - ] - } - }, - { - "identifier": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3", - "formula": "C11H24" - }, - "molarweight": 156.312, - "model_record": { - "m": 4.9082, - "sigma": 3.8893, - "epsilon_k": 248.82, - "viscosity": [ - -1.6062, - -3.2485, - -0.65, - -0.1441 - ] - } - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/rehner2020.json b/parameters_old/pcsaft/rehner2020.json deleted file mode 100644 index df289c35b..000000000 --- a/parameters_old/pcsaft/rehner2020.json +++ /dev/null @@ -1,485 +0,0 @@ -[ - { - "identifier": { - "cas": "7732-18-5", - "name": "water_2B", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "model_record": { - "m": 1.0, - "sigma": 2.937523956051823, - "epsilon_k": 272.02757407828676, - "kappa_ab": 0.04448012165716923, - "epsilon_k_ab": 3125.3202766200056, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water_3B", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "model_record": { - "m": 1.6330279759286626, - "sigma": 2.4570046159550527, - "epsilon_k": 238.31794591948915, - "kappa_ab": 0.037807044304069184, - "epsilon_k_ab": 2749.004567423258, - "na": 2.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water_4C", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "model_record": { - "m": 1.8668282082622842, - "sigma": 2.395032022200541, - "epsilon_k": 169.7751872692369, - "kappa_ab": 0.13373757842938191, - "epsilon_k_ab": 1772.0393059972052, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water_2B_polar", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "model_record": { - "m": 1.0, - "sigma": 3.0053968064475254, - "epsilon_k": 166.6147951235982, - "mu": 1.6152087869692175, - "kappa_ab": 0.09819448826630345, - "epsilon_k_ab": 2667.2518268470913, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water_3B_polar", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "model_record": { - "m": 1.0487827145942152, - "sigma": 2.9895654834474055, - "epsilon_k": 115.19417276271591, - "mu": 1.9373715367486852, - "kappa_ab": 0.038235772849856756, - "epsilon_k_ab": 2377.871413812318, - "na": 2.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "7732-18-5", - "name": "water_4C_polar", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2", - "formula": "H2O" - }, - "molarweight": 18.01528, - "model_record": { - "m": 1.2808374569976761, - "sigma": 2.8129248869728167, - "epsilon_k": 117.77773610908815, - "mu": 1.5050185176397637, - "kappa_ab": 0.082906656369032, - "epsilon_k_ab": 1784.1459137848506, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3", - "formula": "CH4O" - }, - "molarweight": 32.04216, - "model_record": { - "m": 2.4858111592517935, - "sigma": 2.7309279912978557, - "epsilon_k": 101.0845669390466, - "kappa_ab": 0.11953491759977186, - "epsilon_k_ab": 1834.845540500216, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3", - "formula": "C2H6O" - }, - "molarweight": 46.06904, - "model_record": { - "m": 3.0177191329816138, - "sigma": 2.9146460964033283, - "epsilon_k": 124.58467252505255, - "kappa_ab": 0.10067627754508424, - "epsilon_k_ab": 1810.4338396651838, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", - "formula": "C3H8O" - }, - "molarweight": 60.09592, - "model_record": { - "m": 2.7557896027662503, - "sigma": 3.311440076695859, - "epsilon_k": 144.37733584205245, - "kappa_ab": 0.05810650285845608, - "epsilon_k_ab": 1959.8294504365563, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", - "formula": "C4H10O" - }, - "molarweight": 74.1228, - "model_record": { - "m": 3.318220777078113, - "sigma": 3.3475818564926207, - "epsilon_k": 163.6648110273199, - "kappa_ab": 0.07216895211562263, - "epsilon_k_ab": 1862.0561323915151, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", - "formula": "C5H12O" - }, - "molarweight": 88.14968, - "model_record": { - "m": 3.2860051452076284, - "sigma": 3.5782776734658577, - "epsilon_k": 179.754303082289, - "kappa_ab": 0.0762520371571717, - "epsilon_k_ab": 1824.6154575116475, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3", - "formula": "C6H14O" - }, - "molarweight": 102.1766, - "model_record": { - "m": 3.3311680900063463, - "sigma": 3.7482827652225086, - "epsilon_k": 270.86189939448803, - "kappa_ab": 0.002566318648210027, - "epsilon_k_ab": 2778.9261790720657, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3", - "formula": "C7H16O" - }, - "molarweight": 116.2034, - "model_record": { - "m": 4.25093612985804, - "sigma": 3.620930465025628, - "epsilon_k": 252.7630330258869, - "kappa_ab": 0.003060843493411822, - "epsilon_k_ab": 2700.937487295063, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", - "formula": "C8H18O" - }, - "molarweight": 130.2303, - "model_record": { - "m": 4.001221642367511, - "sigma": 3.8281719743325215, - "epsilon_k": 268.72917896983984, - "kappa_ab": 0.0031104598923094376, - "epsilon_k_ab": 2804.2762044751535, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", - "formula": "C9H20O" - }, - "molarweight": 144.257, - "model_record": { - "m": 4.047137615762045, - "sigma": 3.942380472821992, - "epsilon_k": 278.68277806898686, - "kappa_ab": 0.0014907242131781597, - "epsilon_k_ab": 3103.6530564736395, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3", - "formula": "C10H22O" - }, - "molarweight": 158.2841, - "model_record": { - "m": 4.185921112037352, - "sigma": 4.042094734564122, - "epsilon_k": 281.2912655243266, - "kappa_ab": 0.002493036173908781, - "epsilon_k_ab": 3023.609567972825, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3", - "formula": "C12H26O" - }, - "molarweight": 186.3378, - "model_record": { - "m": 5.140293804729545, - "sigma": 3.977088533521953, - "epsilon_k": 274.5543622578429, - "kappa_ab": 0.0012672291257527345, - "epsilon_k_ab": 3223.361822388517, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3", - "formula": "C3H8O" - }, - "molarweight": 60.09592, - "model_record": { - "m": 3.7734002553252854, - "sigma": 2.9580225196713137, - "epsilon_k": 136.16495641117777, - "kappa_ab": 0.09762722816926367, - "epsilon_k_ab": 1718.8359393009746, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3", - "formula": "C4H10O" - }, - "molarweight": 74.1228, - "model_record": { - "m": 4.8327476817460235, - "sigma": 2.9056637283694267, - "epsilon_k": 149.97423748959227, - "kappa_ab": 0.16261464675774262, - "epsilon_k_ab": 1469.6277485887485, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3", - "formula": "C5H12O" - }, - "molarweight": 88.14968, - "model_record": { - "m": 4.2949907034388595, - "sigma": 3.2253888374771633, - "epsilon_k": 159.24901703474268, - "kappa_ab": 0.0787091926637352, - "epsilon_k_ab": 1771.398524849797, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(CC)O", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3", - "formula": "C5H12O" - }, - "molarweight": 88.15, - "model_record": { - "m": 4.509382495395084, - "sigma": 3.1583304901996687, - "epsilon_k": 162.73433804276743, - "kappa_ab": 0.12199296128478557, - "epsilon_k_ab": 1516.0966359637514, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "C(CO)O", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2", - "formula": "C2H6O2" - }, - "molarweight": 62.06844, - "model_record": { - "m": 2.206326914593148, - "sigma": 3.3447087805531535, - "epsilon_k": 211.90069259634961, - "kappa_ab": 0.041207808637705026, - "epsilon_k_ab": 2550.2519514335218, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(CO)O", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3", - "formula": "C3H8O2" - }, - "molarweight": 76.09532, - "model_record": { - "m": 3.485594322858587, - "sigma": 3.083720347164495, - "epsilon_k": 183.09717953416344, - "kappa_ab": 0.08499573407848357, - "epsilon_k_ab": 2268.8453113675146, - "na": 2.0, - "nb": 2.0 - } - }, - { - "identifier": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "C(C(CO)O)O", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2", - "formula": "C3H8O3" - }, - "molarweight": 92.09472, - "model_record": { - "m": 2.294072668747126, - "sigma": 3.6606590687653835, - "epsilon_k": 299.7826857254255, - "kappa_ab": 0.019561736415810844, - "epsilon_k_ab": 3069.7332849899476, - "na": 2.0, - "nb": 2.0 - } - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/rehner2023_binary.json b/parameters_old/pcsaft/rehner2023_binary.json deleted file mode 100644 index 350d281e7..000000000 --- a/parameters_old/pcsaft/rehner2023_binary.json +++ /dev/null @@ -1,149979 +0,0 @@ -[ - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 2319.833028322245 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2576.2008773116377 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 2533.797104480089 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 2034.4750111431626 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2038.447052867045 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2585.013595190628 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1574.379306935181 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2029.6616459170486 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1669.5401903059733 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1554.7908804454332 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "model_record": { - "kappa_ab": 0.00178, - "epsilon_k_ab": 2073.1703498050892 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "kappa_ab": 0.01123, - "epsilon_k_ab": 1817.1906101247682 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "kappa_ab": 0.00171, - "epsilon_k_ab": 1199.8763555033213 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "model_record": { - "kappa_ab": 0.19141, - "epsilon_k_ab": 2237.0828083620186 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "model_record": { - "kappa_ab": 0.02401, - "epsilon_k_ab": 2344.067417238059 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1553.5894560036947 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 967.0148473040966 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1390.9832370805657 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1423.726374783769 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1585.3828576299775 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1795.9821289736046 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1899.9720542834846 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 2650.4280200197127 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 2877.0539773435585 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1018.3640149409217 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "111-55-7", - "name": "ethylene glycol diacetate", - "iupac_name": "2-acetyloxyethyl acetate", - "smiles": "CC(=O)OCCOC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 1444.327438524796 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 2135.5888816539696 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "kappa_ab": 0.01627, - "epsilon_k_ab": 2266.6305046961224 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1252.0753567130737 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2098.558122469182 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1445.1988717830925 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2155.2022123950132 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1973.386013285599 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1391.2917158853534 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1126.892111682594 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2660.8323077946925 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1271.2801976270277 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2035.328385171949 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1385.6543146092695 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1458.8203071182022 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1628.9886551273037 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1096.1823057635593 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1764.1238384043036 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2070.207227633148 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2107.407235291027 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1748.4745197582315 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1659.5453791575671 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2075.015809412059 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1682.558348323089 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1772.7440576927806 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1005.9780349670174 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1595.5973147905147 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1010.9809115016537 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1487.383690442823 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1561.8885872969677 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1464.7359283405408 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1648.1851535572673 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2591.325382960884 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1322.5208262505178 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1420.8749135222479 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1804.6688834062497 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1218.8300998537732 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2544.5176915287766 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1666.0655903672262 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1284.773164429284 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 825.0756891100953 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1530.682847250175 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2237.63909953923 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1033.0101372123988 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2001.1154009067363 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1110.5311379091875 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2230.4119835186852 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1312.727092110558 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1377.7868922007322 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1407.2265116442645 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1179.603604407861 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2315.7624894945056 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1322.3518713479996 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1445.149065690934 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1207.6278626530634 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1401.985650703604 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1754.1778232990232 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1222.3617726151328 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 964.2044198208083 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1370.3355289497247 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2207.3247251066314 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1698.609455495636 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1363.814267316578 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1910.3776028951265 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1672.515437494131 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 962.5371597919825 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1270.2609119356841 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1680.1977394912944 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1879.8973359654217 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1361.3074838772545 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 715.18426803651 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1455.2504455873886 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1178.882998468676 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1200.6819306360123 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "539-82-2", - "name": "ethyl valerate", - "iupac_name": "ethyl pentanoate", - "smiles": "CCCCC(=O)OCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 961.8140450529452 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1887.5120144590692 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(C)=O", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1484.9412714674781 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1083.6501419121412 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-57-7", - "name": "1,1-diethoxyethane", - "iupac_name": "1,1-diethoxyethane", - "smiles": "CCOC(C)OCC", - "inchi": "InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1414.6214394084666 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1559.6610434653812 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1405.9266280009083 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1261.5450271482187 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1789.787831253847 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1325.1333190800656 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1289.9564590557454 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2239.4299076609223 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1073.7571407993814 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1447.9275211939027 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1215.0209477633641 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1512.4074190209355 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1137.661852060038 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "97-62-1", - "name": "ethyl isobutyrate", - "iupac_name": "ethyl 2-methylpropanoate", - "smiles": "CCOC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1274.068323305574 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 2024.4064545248223 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 949.0084792662628 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 894.3854871328645 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "13171-18-1", - "name": "2-methoxy-1,1,1,3,3,3-hexafluoropropane [r356mmz]", - "iupac_name": "1,1,1,3,3,3-hexafluoro-2-methoxypropane", - "smiles": "COC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1192.4599550713788 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "model_record": { - "kappa_ab": 0.05533, - "epsilon_k_ab": 1257.996134413699 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2105.4543288866025 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1410.551291270216 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1243.2329080543586 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1057.6706521347076 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "model_record": { - "kappa_ab": 0.00271, - "epsilon_k_ab": 1096.8067932163274 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "model_record": { - "kappa_ab": 0.13605, - "epsilon_k_ab": 3729.7621715523483 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1571.3755038083455 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1943.5327707580973 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1543.813775949527 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1623.865474328671 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1842.3030378907015 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1780.6441626288442 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1537.196347985706 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 2016.8817727096712 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1502.5753173941137 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1551.8960306648678 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1811.900492882433 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "model_record": { - "kappa_ab": 0.04087, - "epsilon_k_ab": 1868.2457098718942 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2429.913530734919 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1473.7635099109675 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "110-45-2", - "name": "isoamyl formate", - "iupac_name": "3-methylbutyl formate", - "smiles": "CC(C)CCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1419.7732122988316 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1767.6348180397545 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1649.8308538346241 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1653.243855262621 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2227.644130847739 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 8606.043732389966 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1504.598940332667 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1661.9125430991444 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2395.9355847132942 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1463.2205146801114 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1756.7455242035603 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1648.2886135145966 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 2150.8041448309386 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "638-49-3", - "name": "amyl formate", - "iupac_name": "pentyl formate", - "smiles": "CCCCCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3" - }, - "model_record": { - "kappa_ab": 0.60493, - "epsilon_k_ab": 1540.08463110189 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1144.6116325221897 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 974.0534371834365 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 371.34679232148244 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1281.5150247450679 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1297.4413887428923 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 840.3817386831544 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 997.3097834230647 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 271.01008965013125 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "kappa_ab": 0.09951, - "epsilon_k_ab": 931.9510145484752 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.02373, - "epsilon_k_ab": 889.507892871914 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.02373, - "epsilon_k_ab": 1426.4380398363407 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 465.0778059970415 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00463, - "epsilon_k_ab": 2062.540056012159 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2232.217914838515 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2061.4501954135458 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1501.1614047723779 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2138.4169005841572 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2372.095011946187 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1757.8705078734033 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1954.1692572975685 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 832.8476499653761 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03413, - "epsilon_k_ab": 2383.4813885558056 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1324.8137673286208 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01161, - "epsilon_k_ab": 2867.0060430073636 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 964.9585649644068 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1402.1680149539995 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.22091, - "epsilon_k_ab": 846.6229644655973 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1735.6590724509551 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1449.0747920491842 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1134.89010559595 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 206.66834317731298 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 724.6627260566731 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00381, - "epsilon_k_ab": 1655.5016233190477 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 409.1777931455097 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.103, - "epsilon_k_ab": 943.3119432835557 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "kappa_ab": 0.09951, - "epsilon_k_ab": 1118.7140869390955 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "model_record": { - "kappa_ab": 0.07367, - "epsilon_k_ab": 515.567459608969 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00539, - "epsilon_k_ab": 1861.5026680092897 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00144, - "epsilon_k_ab": 1730.289006796475 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "149-57-5", - "name": "2-ethyl hexanoic acid", - "iupac_name": "2-ethylhexanoic acid", - "smiles": "CCCCC(CC)C(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" - }, - "model_record": { - "kappa_ab": 0.00982, - "epsilon_k_ab": 1927.6976934041902 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 516.6365755348145 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2063.02968613908 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1634.4955865359593 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2142.362280792416 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1720.0064127835508 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1703.5550583563377 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2253.039021114567 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2241.2424752928437 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2087.4098499612346 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 2029.7780647872903 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1676.2796773465534 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1463.7341729517632 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1296.875037498349 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1655.9229498663356 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1765.418376028888 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1332.5228192057555 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1511.6290037703798 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1321.5258761565628 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1680.6645735960446 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1676.0602059196249 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1633.3806598611404 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1495.5173484006737 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1823.5984988804225 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1862.0065125668361 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1578.5510877624492 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00622, - "epsilon_k_ab": 1806.2254605316898 - } - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03413, - "epsilon_k_ab": 2464.054875899399 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "model_record": { - "kappa_ab": 0.00222, - "epsilon_k_ab": 2114.5194232357185 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00222, - "epsilon_k_ab": 1452.9928885227214 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1748.861110703633 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1435.443449197397 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2291.6989529689436 - } - }, - { - "id1": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2692.255922982429 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1328.4321972975808 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2065.0471142758474 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1375.137089340193 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1119.6930694533382 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1543.7916267917888 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1501.3776603346716 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1737.60370174033 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2035.3609382877405 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2092.273592589732 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1692.251855208789 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1525.7017519292158 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1999.0112528933792 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 585.704902208291 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1281.9457615067524 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1255.4643679059748 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1392.5333895145338 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1690.279855626179 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1363.3156569956716 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1938.360138339705 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1192.834741692747 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1779.7076285757764 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1261.975725275148 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 2074.047813328533 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "141-32-2", - "name": "2-propenoic acid butyl ester", - "iupac_name": "butyl prop-2-enoate", - "smiles": "C=CC(=O)OCCCC", - "inchi": "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 817.2734599793582 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 916.6572354022121 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1302.8809611590184 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1350.1451765567354 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1502.309987063275 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1606.6918529746474 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 830.6760911868819 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "97-88-1", - "name": "methacrylic acid, butyl ester", - "iupac_name": "butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCCC", - "inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1436.8017827396136 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1912.8307806424855 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1285.5297792736778 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1214.054487080966 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1298.8568619033215 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1837.4429675695205 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1455.6494484254945 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1067.392656315591 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1716.321414258661 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1357.8784728341843 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1301.841456334572 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1695.163496672957 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1767.344652549913 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1485.3582084604298 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1242.472123044356 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1503.0724289996867 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "628-90-0", - "name": "dimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxy)methane", - "smiles": "COCOCOC", - "inchi": "InChI=1S/C4H10O3/c1-5-3-7-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1070.673838488073 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-52-9", - "name": "dibutylcarbonate", - "iupac_name": "dibutyl carbonate", - "smiles": "CCCCOC(=O)OCCCC", - "inchi": "InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1707.898385711435 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1071.1226309760384 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "97-62-1", - "name": "ethyl isobutyrate", - "iupac_name": "ethyl 2-methylpropanoate", - "smiles": "CCOC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1378.8803645158623 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 829.2249520876342 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 844.2915074157759 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "13353-03-2", - "name": "trimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxy)methane", - "smiles": "COCOCOCOC", - "inchi": "InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01435, - "epsilon_k_ab": 1379.021387815213 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1924.7884517189877 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2182.560719720096 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1676.881148188295 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1173.248739688467 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1628.99712535059 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 959.9528115686717 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "model_record": { - "kappa_ab": 0.19141, - "epsilon_k_ab": 2151.5632639626942 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 2148.56645927136 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "kappa_ab": 0.09951, - "epsilon_k_ab": 1937.375495979849 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00239, - "epsilon_k_ab": 2403.969707256903 - } - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.01161, - "epsilon_k_ab": 3071.0833105560773 - } - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "kappa_ab": 0.01161, - "epsilon_k_ab": 3687.3758965971037 - } - }, - { - "id1": { - "cas": "583-60-8", - "name": "2-methylcyclohexanone", - "iupac_name": "2-methylcyclohexan-1-one", - "smiles": "CC1CCCCC1=O", - "inchi": "InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "kappa_ab": 0.00171, - "epsilon_k_ab": 2115.0037396169496 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 955.4728169918226 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1535.9438584122722 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1497.3254650289662 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00298, - "epsilon_k_ab": 1901.5601773050878 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 699.3717413651058 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "kappa_ab": 0.01197, - "epsilon_k_ab": 1100.438161697378 - } - }, - { - "id1": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1729.8530949906144 - } - }, - { - "id1": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 375.51809447998676 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 948.2045841224997 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1080.2991037214256 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "kappa_ab": 0.09951, - "epsilon_k_ab": 1671.1691071807697 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2493.349630061398 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1863.6717652005325 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 2189.8245902160697 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00239, - "epsilon_k_ab": 3159.688098443057 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00161, - "epsilon_k_ab": 3172.8816338152587 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1176.8615521262639 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 980.0593467673457 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1360.6676202995945 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 486.2314597583124 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1322.0078119847922 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 877.1487334487338 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 630.1607518352407 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 576.7571342756435 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "model_record": { - "kappa_ab": 0.00178, - "epsilon_k_ab": 851.0961217223223 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "kappa_ab": 0.81717, - "epsilon_k_ab": 211.50837630963017 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1341.8653954772399 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2167.56810566543 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2360.620705153837 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1733.1519524382647 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1528.739596267198 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 971.5925893612906 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1611.8011664121284 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "model_record": { - "kappa_ab": 0.03123, - "epsilon_k_ab": 1709.9560946338447 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 1275.9548926826235 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 622.6145415863712 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1356.5783305248235 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.22091, - "epsilon_k_ab": 760.498211169857 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1794.9859763611576 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1377.3652524818337 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 781.2220521833317 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1055.4551676246087 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 338.0595180154671 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1156.4089232583144 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00381, - "epsilon_k_ab": 1989.6555207574854 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 459.99134635707617 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.103, - "epsilon_k_ab": 909.090054675364 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 328.34220058053904 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "model_record": { - "kappa_ab": 0.02401, - "epsilon_k_ab": 2274.523445458027 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 860.0596896025235 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1411.632748714631 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1375.5566003543313 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1062.5501949903912 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1298.9414025393905 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 430.5441266532385 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "model_record": { - "kappa_ab": 0.0001, - "epsilon_k_ab": 850.5435805355365 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1715.7457046198042 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 500.96425170059683 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00144, - "epsilon_k_ab": 2193.640097719118 - } - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "102-69-2", - "name": "tripropylamine", - "iupac_name": "n,n-dipropylpropan-1-amine", - "smiles": "CCCN(CCC)CCC", - "inchi": "InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 1377.8926381910435 - } - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1632.3808065935398 - } - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1228.5925651353648 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 991.213553640219 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1484.5419649905862 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1276.8070967416952 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1503.6441516135346 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1208.2976737840029 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1176.9899825445873 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1259.0696497360375 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 610.5262022283437 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 801.2412909176255 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1172.4223255040415 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1313.0046346683357 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 431.5541286856933 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1502.6385084409615 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 874.2442002445182 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 756.9853656168891 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 381.3456035920134 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1311.109270435793 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 558.1467827914071 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1432.556101874618 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 680.784381940245 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 332.51859045935805 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 841.9232378672185 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 972.7823202234255 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 1354.55197758571 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 815.2924461834587 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "624-54-4", - "name": "amyl propioanate", - "iupac_name": "pentyl propanoate", - "smiles": "CCCCCOC(=O)CC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03508, - "epsilon_k_ab": 639.7149517521074 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 978.9470555763943 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.22091, - "epsilon_k_ab": 745.595475237668 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1923.1780179093666 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1271.2728384941443 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00381, - "epsilon_k_ab": 2221.8336546959354 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 690.6148333937629 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "kappa_ab": 0.01854, - "epsilon_k_ab": 2720.9856801175956 - } - }, - { - "id1": { - "cas": "616-39-7", - "name": "methyl diethyl amine", - "iupac_name": "n-ethyl-n-methylethanamine", - "smiles": "CCN(C)CC", - "inchi": "InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1471.1238507289902 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1542.241017464615 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2173.8853548519483 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2125.1963438343414 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1698.7954036631686 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1197.9886419238182 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1764.7133067772827 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2065.4344768201668 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2768.1266770731545 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1534.8621532077475 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1826.8009436871644 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1139.288504931264 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1418.2482972597659 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "534-15-6", - "name": "1,1-dimethoxyethane", - "iupac_name": "1,1-dimethoxyethane", - "smiles": "COC(C)OC", - "inchi": "InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1357.8940474249355 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1046.4986238300683 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1392.8745933942819 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1399.8064409522651 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1189.663489257766 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1613.4354837774151 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2598.6066205585257 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2091.178995085601 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "78-94-4", - "name": "methyl vinyl ketone", - "iupac_name": "but-3-en-2-one", - "smiles": "C=CC(C)=O", - "inchi": "InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1914.410152610319 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1413.1617074284507 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1378.376319105629 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1466.556305887782 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1196.365555789926 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "126-98-7", - "name": "methacrylonitrile", - "iupac_name": "2-methylprop-2-enenitrile", - "smiles": "C=C(C)C#N", - "inchi": "InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1735.0016357483964 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2529.834606396915 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1667.660823029407 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1315.7799519024047 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1248.050304065446 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "628-32-0", - "name": "ethyl propyl ether", - "iupac_name": "1-ethoxypropane", - "smiles": "CCCOCC", - "inchi": "InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1218.8351485852525 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1261.13445761586 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1002.1894918579704 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1347.9270745074577 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1693.1269254462195 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1270.593371811203 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1397.1358478927395 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1305.1891985810971 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2552.4711525912007 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1289.5991354601967 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1636.385389160624 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1144.0619401206523 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 849.8352999553404 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1366.8286317736006 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1709.8135416803314 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1313.7803677319507 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1668.896553975443 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1347.6210597527042 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1034.3647156789623 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1364.9223972150671 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1617.4107399648651 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2046.7142517223128 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1615.5292071547547 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 935.2485636554813 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1254.0638713266803 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1787.8861335559702 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1651.4684124263601 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1566.3213957457708 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1242.163638620402 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1186.858830373189 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 887.0223527765381 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1402.8864265308466 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1694.7673454514347 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1113.450579483017 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1334.4091382593017 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1820.956181045297 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "77-76-9", - "name": "2,2-dimethoxypropane", - "iupac_name": "2,2-dimethoxypropane", - "smiles": "COC(C)(C)OC", - "inchi": "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1215.4694707501235 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-38-4", - "name": "vinyl propionate", - "iupac_name": "ethenyl propanoate", - "smiles": "C=COC(=O)CC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1032.1662140317212 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1149.4779726698898 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1611.778056463004 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1119-40-0", - "name": "dimethyl glutarate", - "iupac_name": "dimethyl pentanedioate", - "smiles": "COC(=O)CCCC(=O)OC", - "inchi": "InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1531.3877698951087 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1173.2482937143045 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1441.085430496559 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1341.8389357120604 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1266.139475110233 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "542-52-9", - "name": "dibutylcarbonate", - "iupac_name": "dibutyl carbonate", - "smiles": "CCCCOC(=O)OCCCC", - "inchi": "InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1582.8509274972089 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1699.020802518336 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1109.626935352033 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1865.3565618127177 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1387.1823281127768 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1189.707151795727 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1579.4329206040675 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "97-62-1", - "name": "ethyl isobutyrate", - "iupac_name": "ethyl 2-methylpropanoate", - "smiles": "CCOC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1252.5211211860453 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1467.802237428527 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1422.7746172038737 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1175.7693970460698 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "13171-18-1", - "name": "2-methoxy-1,1,1,3,3,3-hexafluoropropane [r356mmz]", - "iupac_name": "1,1,1,3,3,3-hexafluoro-2-methoxypropane", - "smiles": "COC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1376.750150896955 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "616-47-7", - "name": "n-methylimidazole", - "iupac_name": "1-methylimidazole", - "smiles": "Cn1ccnc1", - "inchi": "InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 2313.6440479976154 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1512.610026180462 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "13509-27-8", - "name": "methyl phenyl carbonate", - "iupac_name": "methyl phenyl carbonate", - "smiles": "COC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 839.56951842505 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "13353-03-2", - "name": "trimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxy)methane", - "smiles": "COCOCOCOC", - "inchi": "InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.08716, - "epsilon_k_ab": 1308.6297112603072 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.22091, - "epsilon_k_ab": 1071.1122893344264 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.22091, - "epsilon_k_ab": 877.7473709875536 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.22091, - "epsilon_k_ab": 961.2853073486529 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.22091, - "epsilon_k_ab": 963.1002105165862 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2081.5808384802576 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1345.2047855184765 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1479.751677045344 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00837, - "epsilon_k_ab": 1972.1195739800746 - } - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1712.4682927486938 - } - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1761.1755258434525 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2129.778341154494 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2320.111120943657 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1687.2874462251405 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1753.2031077798306 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1672.0427550627007 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1576.3465377037828 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1797.88881284741 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1803.2298438351502 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1213.9828771581847 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2006.5347728592035 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1565.3676627792793 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1279.9832579575614 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1743.2366688353768 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1920.2603941296475 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1761.508940195525 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2000.6075511558267 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1629.4282471182366 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 2027.4395248589149 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1889.170709992382 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1692.4718026658318 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1895.8169165673448 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "97-85-8", - "name": "isobutyl isobutyrate", - "iupac_name": "2-methylpropyl 2-methylpropanoate", - "smiles": "CC(C)COC(=O)C(C)C", - "inchi": "InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1622.8257271059756 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "624-54-4", - "name": "amyl propioanate", - "iupac_name": "pentyl propanoate", - "smiles": "CCCCCOC(=O)CC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00677, - "epsilon_k_ab": 1647.2357817698978 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1689.4454407719322 - } - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00254, - "epsilon_k_ab": 2416.6732657956823 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1618.9523853728203 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1295.6518838637808 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1902.5115695893792 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 2206.2704832778195 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1599.0549067145864 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1760.12331371674 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1888.0980031917939 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 941.3838792110253 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 2116.0335659163543 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1727.969075364907 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1369.0376828744795 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "106-32-1", - "name": "octanoic acid ethyl ester", - "iupac_name": "ethyl octanoate", - "smiles": "CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1724.4582284481448 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01039, - "epsilon_k_ab": 1650.4905001234758 - } - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1330.634333148803 - } - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.02702, - "epsilon_k_ab": 2019.7130374763965 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1294.1848364026803 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1754.575875830677 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1328.5517965108609 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1620.0635294622239 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1324.3549082065033 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 999.2993828503844 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1054.4324756619744 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1387.0053768737248 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1100.6799215796682 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1458.0291669478288 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 755.6238788686411 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1313.9663112237254 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 742.112069300113 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 898.6340818059035 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1351.553636562286 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1168.9685101615419 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1872.366401945333 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 995.6812695954933 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 697.394375574793 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 289.2728745788121 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 898.240385921257 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1471.5036825956372 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 890.4866785187915 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1156.8261166154998 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 879.9857494411153 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1156.2270690983707 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1364.067656189047 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1235.7602924521784 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 983.9207658085833 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1241.3284241428873 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1174.3362905661468 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "628-90-0", - "name": "dimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxy)methane", - "smiles": "COCOCOC", - "inchi": "InChI=1S/C4H10O3/c1-5-3-7-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 750.1845306405056 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 701.4295063808121 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1109.5734875038677 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "547-63-7", - "name": "2-methylpropanoic acid methyl ester", - "iupac_name": "methyl 2-methylpropanoate", - "smiles": "COC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1033.7684389414276 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "97-62-1", - "name": "ethyl isobutyrate", - "iupac_name": "ethyl 2-methylpropanoate", - "smiles": "CCOC(=O)C(C)C", - "inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1036.4451149068866 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "644-49-5", - "name": "propyl isobutyrate", - "iupac_name": "propyl 2-methylpropanoate", - "smiles": "CCCOC(=O)C(C)C", - "inchi": "InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.03853, - "epsilon_k_ab": 1112.6059756359057 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1817.8210206322083 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 941.0705407348181 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.103, - "epsilon_k_ab": 1073.0587534983188 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "model_record": { - "kappa_ab": 0.0001, - "epsilon_k_ab": 2290.882325 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 760.714207999162 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1988.203589315479 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "kappa_ab": 0.01943, - "epsilon_k_ab": 1933.2491631361736 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 2314.218566204656 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 2415.30907352395 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1865.9285096480687 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1179.1844423461775 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1114.7373184702262 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1531.7199395021164 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1301.0596981525625 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1026.2043383059008 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 614.7600697903066 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1350.1212284741366 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00548, - "epsilon_k_ab": 1428.1564451727977 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.103, - "epsilon_k_ab": 1447.1721726875026 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "model_record": { - "kappa_ab": 0.07367, - "epsilon_k_ab": 864.0614034305507 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "kappa_ab": 0.00963, - "epsilon_k_ab": 2150.608584287236 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1523.7576680664758 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "kappa_ab": 0.00047, - "epsilon_k_ab": 2127.6917437959155 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1020.4644252686654 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1915.8801913422785 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1294.3367790064922 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1742.691662516443 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 419.1025118429611 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1158.9215196152088 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 816.1584134469238 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1321.826103590054 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 258.19153921623 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 242.8085098003354 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1875.961996236037 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 715.3991095179878 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-55-7", - "name": "ethylene glycol diacetate", - "iupac_name": "2-acetyloxyethyl acetate", - "smiles": "CC(=O)OCCOC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 857.324997238911 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1374.664757201625 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 783.9804200359121 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 614.6271138722934 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 328.2236380348927 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1198.6685802546654 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 721.9733128048562 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 988.3875453188676 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1190-76-7", - "name": "cis-crotonitrile", - "iupac_name": "(z)-but-2-enenitrile", - "smiles": "C/C=C\\C#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 468.99714331315863 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1253.3997402642713 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 334.83061266213576 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 496.1868793301345 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "4253-91-2", - "name": "dipropylsulfoxide", - "iupac_name": "1-propylsulfinylpropane", - "smiles": "CCCS(=O)CCC", - "inchi": "InChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 2564.6639529256026 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "70-29-1", - "name": "diethyl sulfoxide", - "iupac_name": "1-ethylsulfinylethane", - "smiles": "CCS(=O)CC", - "inchi": "InChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 2567.2482714277266 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-02-4", - "name": "n-methylmorpholine", - "iupac_name": "4-methylmorpholine", - "smiles": "CN1CCOCC1", - "inchi": "InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1043.1413634239163 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 754.5552858643866 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "539-88-8", - "name": "4-oxo-pentanoic acid ethyl ester", - "iupac_name": "ethyl 4-oxopentanoate", - "smiles": "CCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 814.5095452978592 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "6674-22-2", - "name": "1,5-diazabicyclo[5.4.0]undec-5-ene", - "iupac_name": "2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine", - "smiles": "C1CCC2=NCCCN2CC1", - "inchi": "InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 1792.7906677146348 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "3001-72-7", - "name": "1,5-diazabicyclo[4.3.0]non-5-ene", - "iupac_name": "2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine", - "smiles": "C1CN=C2CCCN2C1", - "inchi": "InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2" - }, - "model_record": { - "kappa_ab": 0.35319, - "epsilon_k_ab": 2129.550024135724 - } - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.10474, - "epsilon_k_ab": 597.915866452568 - } - }, - { - "id1": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "model_record": { - "kappa_ab": 0.02657, - "epsilon_k_ab": 737.636118234235 - } - }, - { - "id1": { - "cas": "91-66-7", - "name": "n,n-diethylaniline", - "iupac_name": "n,n-diethylaniline", - "smiles": "CCN(CC)c1ccccc1", - "inchi": "InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1618.881387388999 - } - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "62781-99-1", - "name": "cyclopentyl formate", - "iupac_name": "cyclopentyl formate", - "smiles": "O=COC1CCCC1", - "inchi": "InChI=1S/C6H10O2/c7-5-8-6-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "kappa_ab": 0.00178, - "epsilon_k_ab": 2019.2399642220996 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 363.4945803328939 - } - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00381, - "epsilon_k_ab": 2073.4547464641278 - } - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1996.42063251304 - } - }, - { - "id1": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "id2": { - "cas": "111-69-3", - "name": "1,4-dicyanobutane", - "iupac_name": "hexanedinitrile", - "smiles": "N#CCCCCC#N", - "inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 1057.2303911503934 - } - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 2191.066165846335 - } - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 1068.686475733691 - } - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 242.47402475520698 - } - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 114.36200477944772 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 16928.053234234943 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1596.3354132570053 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1391.4924230860302 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1356.7002869775686 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1226.3610564018193 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1047.385242685569 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1356.6233571154098 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 1189.4583734317603 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "106-31-0", - "name": "butyric anhydride", - "iupac_name": "butanoyl butanoate", - "smiles": "CCCC(=O)OC(=O)CCC", - "inchi": "InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.30395, - "epsilon_k_ab": 879.5164977234448 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00381, - "epsilon_k_ab": 2157.409540769491 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 413.3389204730485 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1923.61907885048 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00298, - "epsilon_k_ab": 2233.0236834483835 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00539, - "epsilon_k_ab": 2140.3560556966822 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00314, - "epsilon_k_ab": 2269.8750535147306 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "149-57-5", - "name": "2-ethyl hexanoic acid", - "iupac_name": "2-ethylhexanoic acid", - "smiles": "CCCCC(CC)C(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" - }, - "model_record": { - "kappa_ab": 0.00982, - "epsilon_k_ab": 2158.874782940043 - } - }, - { - "id1": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00241, - "epsilon_k_ab": 2907.9652690925323 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 184.957741289331 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "model_record": { - "kappa_ab": 0.00889, - "epsilon_k_ab": 2155.0495136937143 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "4351-54-6", - "name": "cyclohexyl formate", - "iupac_name": "cyclohexyl formate", - "smiles": "O=COC1CCCCC1", - "inchi": "InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "model_record": { - "kappa_ab": 0.00171, - "epsilon_k_ab": 1978.4000407731291 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "105-68-0", - "name": "isoamyl propionate", - "iupac_name": "3-methylbutyl propanoate", - "smiles": "CCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00381, - "epsilon_k_ab": 1697.6014625684977 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "106-27-4", - "name": "isoamyl butyrate", - "iupac_name": "3-methylbutyl butanoate", - "smiles": "CCCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00381, - "epsilon_k_ab": 2150.953258232673 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 449.3675635519213 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 367.7655461402453 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "112-07-2", - "name": "2-butoxyethyl acetate", - "iupac_name": "2-butoxyethyl acetate", - "smiles": "CCCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 631.3615778605844 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 252.44143518392508 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 946.7612546492303 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.53446, - "epsilon_k_ab": 503.78017679433196 - } - }, - { - "id1": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "kappa_ab": 0.19141, - "epsilon_k_ab": 1450.6729199565339 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "kappa_ab": 0.103, - "epsilon_k_ab": 735.0590887626355 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.103, - "epsilon_k_ab": 589.8473075127971 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.103, - "epsilon_k_ab": 774.9959265711989 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "kappa_ab": 0.06873, - "epsilon_k_ab": 3056.323704965969 - } - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.02702, - "epsilon_k_ab": 2054.1489275533795 - } - }, - { - "id1": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00207, - "epsilon_k_ab": 1974.1465541498017 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1739.4083295717871 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1959.30605826901 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 870.2073952238015 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 2085.9272813192238 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1976.2635661007444 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "smiles": "CCCCCCC(C)=O", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1947.5622835836466 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00722, - "epsilon_k_ab": 1447.379257785642 - } - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "kappa_ab": 0.01854, - "epsilon_k_ab": 2484.5533524586813 - } - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "kappa_ab": 0.01854, - "epsilon_k_ab": 2183.3297320737547 - } - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "3852-09-3", - "name": "propionic acid,beta-methoxy,methyl ester", - "iupac_name": "methyl 3-methoxypropanoate", - "smiles": "COCCC(=O)OC", - "inchi": "InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.01854, - "epsilon_k_ab": 2544.5552559964785 - } - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "2998-08-5", - "name": "sec-butylacrylate", - "iupac_name": "butan-2-yl prop-2-enoate", - "smiles": "C=CC(=O)OC(C)CC", - "inchi": "InChI=1S/C7H12O2/c1-4-6(3)9-7(8)5-2/h5-6H,2,4H2,1,3H3" - }, - "model_record": { - "kappa_ab": 0.01854, - "epsilon_k_ab": 2385.245901848992 - } - }, - { - "id1": { - "cas": "311-89-7", - "name": "perfluorotributylamine", - "iupac_name": "1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 624.7746032417635 - } - }, - { - "id1": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "kappa_ab": 0.09951, - "epsilon_k_ab": 1974.565758266584 - } - }, - { - "id1": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00239, - "epsilon_k_ab": 1971.881289896217 - } - }, - { - "id1": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00298, - "epsilon_k_ab": 2469.1363609772825 - } - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "95-15-8", - "name": "benzo(b)thiophene", - "iupac_name": "1-benzothiophene", - "smiles": "c1ccc2sccc2c1", - "inchi": "InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H" - }, - "model_record": { - "kappa_ab": 0.00239, - "epsilon_k_ab": 2251.4923677403385 - } - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00239, - "epsilon_k_ab": 2153.7153188843813 - } - }, - { - "id1": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "smiles": "Oc1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "id2": { - "cas": "260-94-6", - "name": "acridine", - "iupac_name": "acridine", - "smiles": "c1ccc2nc3ccccc3cc2c1", - "inchi": "InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H" - }, - "model_record": { - "kappa_ab": 0.02699, - "epsilon_k_ab": 2265.472787111703 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00131, - "epsilon_k_ab": 2190.1977220846825 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "599-64-4", - "name": "p-cumylphenol", - "iupac_name": "4-(2-phenylpropan-2-yl)phenol", - "smiles": "CC(C)(c1ccccc1)c1ccc(O)cc1", - "inchi": "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.02678, - "epsilon_k_ab": 2427.4730910950093 - } - }, - { - "id1": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00207, - "epsilon_k_ab": 2259.2712733388676 - } - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "model_record": { - "kappa_ab": 0.00175, - "epsilon_k_ab": 1825.9870967287684 - } - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "kappa_ab": 0.00144, - "epsilon_k_ab": 2315.306576334899 - } - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-30-6", - "name": "2-methyl-1-pentanol", - "iupac_name": "2-methylpentan-1-ol", - "smiles": "CCCC(C)CO", - "inchi": "InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.03599, - "epsilon_k_ab": 1695.216376039894 - } - }, - { - "id1": { - "cas": "108-83-8", - "name": "diisobutyl ketone", - "iupac_name": "2,6-dimethylheptan-4-one", - "smiles": "CC(C)CC(=O)CC(C)C", - "inchi": "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "kappa_ab": 0.04893, - "epsilon_k_ab": 1279.2323202343175 - } - }, - { - "id1": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "model_record": { - "kappa_ab": 0.03123, - "epsilon_k_ab": 1896.6720572518175 - } - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "kappa_ab": 0.06634, - "epsilon_k_ab": 1871.2394466570283 - } - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "616-23-9", - "name": "2,3-dichloro-1-propanol", - "iupac_name": "2,3-dichloropropan-1-ol", - "smiles": "OCC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2" - }, - "model_record": { - "kappa_ab": 0.00207, - "epsilon_k_ab": 1137.2047614492774 - } - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "96-24-2", - "name": "3-chloro-1,2-propanediol", - "iupac_name": "3-chloropropane-1,2-diol", - "smiles": "OCC(O)CCl", - "inchi": "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2" - }, - "model_record": { - "kappa_ab": 0.0807, - "epsilon_k_ab": 2562.438225459614 - } - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "kappa_ab": 0.06873, - "epsilon_k_ab": 2860.2675580923687 - } - }, - { - "id1": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3" - }, - "id2": { - "cas": "830-13-7", - "name": "cyclododecanone", - "iupac_name": "cyclododecanone", - "smiles": "O=C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2" - }, - "model_record": { - "kappa_ab": 0.00233, - "epsilon_k_ab": 1960.2525752137262 - } - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "kappa_ab": 0.00079, - "epsilon_k_ab": 1087.1822341698069 - } - }, - { - "id1": { - "cas": "920-66-1", - "name": "1,1,1,3,3,3-hexafluoro-2-propanol", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-ol", - "smiles": "OC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00131, - "epsilon_k_ab": 3734.59384093155 - } - }, - { - "id1": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00144, - "epsilon_k_ab": 1991.092216782854 - } - }, - { - "id1": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "kappa_ab": 0.00144, - "epsilon_k_ab": 2189.6852685997633 - } - }, - { - "id1": { - "cas": "629-11-8", - "name": "1,6-hexanediol", - "iupac_name": "hexane-1,6-diol", - "smiles": "OCCCCCCO", - "inchi": "InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.00608, - "epsilon_k_ab": 1927.3364239120647 - } - }, - { - "id1": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "model_record": { - "kappa_ab": 0.9, - "epsilon_k_ab": 282.8758690622784 - } - }, - { - "id1": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "model_record": { - "kappa_ab": 0.06634, - "epsilon_k_ab": 1654.6221267928395 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2686.091322246198 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 3142.865386543713 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "epsilon_k_ab": 2873.0425088587835 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1564.5944199121352 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2285.477495566378 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2185.5876294755776 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2246.510505972374 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "epsilon_k_ab": 2482.608047230088 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2385.7677039434066 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1735.9027679707865 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "epsilon_k_ab": 2339.9177337144256 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2342.4922044942978 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 1780.8333300131244 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "6881-94-3", - "name": "diethylene glycol monopropyl ether", - "iupac_name": "2-(2-propoxyethoxy)ethanol", - "smiles": "CCCOCCOCCO", - "inchi": "InChI=1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1598.6523051524948 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "epsilon_k_ab": 2294.2602491505927 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "epsilon_k_ab": 2304.303538321157 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "105-59-9", - "name": "methyldiethanolamine (mdea)", - "iupac_name": "2-[2-hydroxyethyl(methyl)amino]ethanol", - "smiles": "CN(CCO)CCO", - "inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2126.0683668874444 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "542-59-6", - "name": "glycol monoacetate", - "iupac_name": "2-hydroxyethyl acetate", - "smiles": "CC(=O)OCCO", - "inchi": "InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2313.3793379039607 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "112-59-4", - "name": "diethylene glycol n-hexyl ether", - "iupac_name": "2-(2-hexoxyethoxy)ethanol", - "smiles": "CCCCCCOCCOCCO", - "inchi": "InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2863.504981733791 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2703.37746805074 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 3508.5643598606725 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2210.765808341449 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2322.496337232107 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2235.105542237976 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 2392.3185335737817 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 2324.047279847392 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "epsilon_k_ab": 2512.92771579042 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "model_record": { - "epsilon_k_ab": 2886.076880885644 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "model_record": { - "epsilon_k_ab": 2202.5087530955534 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1950.302234967326 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "epsilon_k_ab": 2349.172133837249 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2918.003960319053 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "epsilon_k_ab": 2229.217732327053 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 1069.238592829211 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "epsilon_k_ab": 2238.251007270622 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "model_record": { - "epsilon_k_ab": 2356.291322464374 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2273.4513721272174 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 1855.831476949925 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "epsilon_k_ab": 2255.332687673093 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 2156.014494952579 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 2525.475568820128 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "epsilon_k_ab": 2196.508109427806 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2191.668848100679 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2717.010088906455 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1371.1720741111649 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2381.3534745907536 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "epsilon_k_ab": 2379.56990353846 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "epsilon_k_ab": 1253.7520926817454 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "epsilon_k_ab": 1552.5954907746927 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2016.613098496339 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "model_record": { - "epsilon_k_ab": 1422.1513322929377 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "106-47-8", - "name": "p-chloroaniline", - "iupac_name": "4-chloroaniline", - "smiles": "Nc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" - }, - "model_record": { - "epsilon_k_ab": 1827.9257227165765 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2381.693152407687 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2350.8190408027704 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2271.6340975991984 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2794.9310382115827 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 1898.915622413412 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1912.425703681772 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1795.9040695105032 - } - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2381.54939959871 - } - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "epsilon_k_ab": 2769.139646273364 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "epsilon_k_ab": 2770.6986407525333 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "epsilon_k_ab": 2586.781826717357 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 2334.463544989539 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1434.417641676442 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2243.340546999603 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2218.4329711040746 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2058.20255424553 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 2211.361126649137 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 1817.478425904663 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "model_record": { - "epsilon_k_ab": 2134.892446720881 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "model_record": { - "epsilon_k_ab": 2345.307076491541 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "epsilon_k_ab": 2154.245916284607 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "epsilon_k_ab": 2673.6546625143696 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "epsilon_k_ab": 1565.053539861633 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1839.1911869859305 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1438.8232636407265 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 648.0625939769227 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2005.0882878555385 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "138-22-7", - "name": "n-butyl lactate", - "iupac_name": "butyl 2-hydroxypropanoate", - "smiles": "CCCCOC(=O)C(C)O", - "inchi": "InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1942.628449746532 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1940.503031632508 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "epsilon_k_ab": 3582.498688945044 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2179.1929176355657 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "epsilon_k_ab": 2444.971291795751 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "model_record": { - "epsilon_k_ab": 331.4841360822883 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2066.922521604893 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 1719.7364656234618 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 390.39218727624126 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1270.9922109132938 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2873.7440857825154 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "model_record": { - "epsilon_k_ab": 850.1770517787719 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2219.053778038306 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1425.1096008501568 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2059.2906602188496 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2056.7463713686675 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 1979.6495188912968 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "model_record": { - "epsilon_k_ab": 2462.229622342955 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1224.5194030770103 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1355.0072935778212 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "102-71-6", - "name": "triethanolamine (tea)", - "iupac_name": "2-[bis(2-hydroxyethyl)amino]ethanol", - "smiles": "OCCN(CCO)CCO", - "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" - }, - "model_record": { - "epsilon_k_ab": 1872.3291601569435 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "model_record": { - "epsilon_k_ab": 1939.0296820520805 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "epsilon_k_ab": 2854.9857718670773 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "epsilon_k_ab": 2820.767655830899 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "model_record": { - "epsilon_k_ab": 926.3318642456484 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 2419.329922675874 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "epsilon_k_ab": 2109.240519976282 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "epsilon_k_ab": 2659.136363274797 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "model_record": { - "epsilon_k_ab": 2434.8635853377914 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1991.2198140191424 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "epsilon_k_ab": 2384.5814341555297 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "model_record": { - "epsilon_k_ab": 2408.7033500600387 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 1969.1692783685648 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "629-11-8", - "name": "1,6-hexanediol", - "iupac_name": "hexane-1,6-diol", - "smiles": "OCCCCCCO", - "inchi": "InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2" - }, - "model_record": { - "epsilon_k_ab": 2265.1628012561227 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "epsilon_k_ab": 2235.152401284252 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "124-68-5", - "name": "2-amino-2-methyl-1-propanol (amp)", - "iupac_name": "2-amino-2-methylpropan-1-ol", - "smiles": "CC(C)(N)CO", - "inchi": "InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2141.88277478188 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1609.8965476207816 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1444.499314094068 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 1548.3619239164088 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 2500.384110491462 - } - }, - { - "id1": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 2092.765128041005 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2357.715831600653 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 2279.3136704029466 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 1814.32661052397 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2438.2862236186006 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 2505.7839248130667 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "626-89-1", - "name": "4-methyl-1-pentanol", - "iupac_name": "4-methylpentan-1-ol", - "smiles": "CC(C)CCCO", - "inchi": "InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2363.068852432809 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2161.0340801617094 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "epsilon_k_ab": 1933.76522053354 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 2264.6285288988915 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "epsilon_k_ab": 2536.633582552518 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 866.2214433695999 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2661.821413698364 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 3017.071741949359 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2122.1928175010034 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2619.2142027056902 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "model_record": { - "epsilon_k_ab": 2530.960553483707 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 1807.3362950570988 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2481.442480554745 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "epsilon_k_ab": 3457.400465159479 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2085.770232786964 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "epsilon_k_ab": 3215.424079916317 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "model_record": { - "epsilon_k_ab": 2106.0759205688937 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 1209.7029764310987 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "model_record": { - "epsilon_k_ab": 2418.8523420773704 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 1840.494815493812 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2182.7750272068906 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1719.0732415390544 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "epsilon_k_ab": 2476.6169570065445 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1642.6757099103932 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2183.101209356342 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "model_record": { - "epsilon_k_ab": 1669.9349832335488 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1078.8977849948192 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "epsilon_k_ab": 2130.1380773656942 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "model_record": { - "epsilon_k_ab": 2232.7203288031305 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1449.5184767968535 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "model_record": { - "epsilon_k_ab": -1207.91814244347 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 820.3660347574969 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "102-71-6", - "name": "triethanolamine (tea)", - "iupac_name": "2-[bis(2-hydroxyethyl)amino]ethanol", - "smiles": "OCCN(CCO)CCO", - "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" - }, - "model_record": { - "epsilon_k_ab": 2099.1367104111023 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "57018-52-7", - "name": "1-tert-butoxy-2-propanol", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]propan-2-ol", - "smiles": "CC(O)COC(C)(C)C", - "inchi": "InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3" - }, - "model_record": { - "epsilon_k_ab": 1630.7081107976223 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "model_record": { - "epsilon_k_ab": 1872.387475630615 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "epsilon_k_ab": 1703.466054593897 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1387.5102492485796 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1745.1362793438625 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "model_record": { - "epsilon_k_ab": 2895.3222065114705 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": -3224.195104469769 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1746.7721849398288 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2599.863008261092 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "124-09-4", - "name": "1,6-hexanediamine", - "iupac_name": "hexane-1,6-diamine", - "smiles": "NCCCCCCN", - "inchi": "InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2" - }, - "model_record": { - "epsilon_k_ab": 1891.6228190016643 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1672.6621238012017 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 1734.1285624124062 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "model_record": { - "epsilon_k_ab": 2512.314563290125 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1463.3592334605637 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 1986.9404990497155 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "626-93-7", - "name": "2-hexanol", - "iupac_name": "hexan-2-ol", - "smiles": "CCCCC(C)O", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 739.3598390339871 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1272.1650040784996 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-43-6", - "name": "dichloroacetic acid", - "iupac_name": "2,2-dichloroacetic acid", - "smiles": "O=C(O)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" - }, - "model_record": { - "epsilon_k_ab": 3784.5887922843353 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "76-03-9", - "name": "trichloroacetic acid", - "iupac_name": "2,2,2-trichloroacetic acid", - "smiles": "O=C(O)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "model_record": { - "epsilon_k_ab": 1845.399849880904 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": -3944.783125775492 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "model_record": { - "epsilon_k_ab": 8593.995565612564 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "13952-84-6", - "name": "sec-butylamine", - "iupac_name": "butan-2-amine", - "smiles": "CCC(C)N", - "inchi": "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2436.351008176231 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1704-62-7", - "name": "2-(2-dimethylaminoethoxy) ethanol", - "iupac_name": "2-[2-(dimethylamino)ethoxy]ethanol", - "smiles": "CN(C)CCOCCO", - "inchi": "InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2150.0797053785827 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "102-71-6", - "name": "triethanolamine (tea)", - "iupac_name": "2-[bis(2-hydroxyethyl)amino]ethanol", - "smiles": "OCCN(CCO)CCO", - "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" - }, - "model_record": { - "epsilon_k_ab": 1794.379550321814 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "116-09-6", - "name": "1-hydroxy-2-propanone", - "iupac_name": "1-hydroxypropan-2-one", - "smiles": "CC(=O)CO", - "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 3246.6562279459063 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-83-1", - "name": "n-methylethanolamine", - "iupac_name": "2-(methylamino)ethanol", - "smiles": "CNCCO", - "inchi": "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1792.518587454957 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "60-34-4", - "name": "methylhydrazine", - "iupac_name": "methylhydrazine", - "smiles": "CNN", - "inchi": "InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2748.9687211296 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-76-2", - "name": "1,3-diaminopropane", - "iupac_name": "propane-1,3-diamine", - "smiles": "NCCCN", - "inchi": "InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2" - }, - "model_record": { - "epsilon_k_ab": 1797.0819998800462 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "105-59-9", - "name": "methyldiethanolamine (mdea)", - "iupac_name": "2-[2-hydroxyethyl(methyl)amino]ethanol", - "smiles": "CN(CCO)CCO", - "inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 12297.044330704057 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "542-59-6", - "name": "glycol monoacetate", - "iupac_name": "2-hydroxyethyl acetate", - "smiles": "CC(=O)OCCO", - "inchi": "InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2513.723512086044 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-76-2", - "name": "levulinic acid", - "iupac_name": "4-oxopentanoic acid", - "smiles": "CC(=O)CCC(=O)O", - "inchi": "InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)" - }, - "model_record": { - "epsilon_k_ab": 2254.1211858550814 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 1432.367974936352 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "5131-66-8", - "name": "1,2-propylene glycol 1-monobutylether", - "iupac_name": "1-butoxypropan-2-ol", - "smiles": "CCCCOCC(C)O", - "inchi": "InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": -2537.76384438708 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "6291-84-5", - "name": "n-methylpropane-1,3-diamine", - "iupac_name": "n'-methylpropane-1,3-diamine", - "smiles": "CNCCCN", - "inchi": "InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2116.081724074366 - } - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "epsilon_k_ab": 613.2837140552468 - } - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "epsilon_k_ab": 2849.5478518036134 - } - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "model_record": { - "epsilon_k_ab": 2338.4886351390687 - } - }, - { - "id1": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "epsilon_k_ab": 2287.40029140063 - } - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "epsilon_k_ab": 2168.5751078927174 - } - }, - { - "id1": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 2467.260138493619 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "model_record": { - "epsilon_k_ab": 1985.6373003319352 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "503-74-2", - "name": "3-methylbutanoic acid", - "iupac_name": "3-methylbutanoic acid", - "smiles": "CC(C)CC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)" - }, - "model_record": { - "epsilon_k_ab": 2076.3128137316758 - } - }, - { - "id1": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "id2": { - "cas": "57-11-4", - "name": "stearic acid", - "iupac_name": "octadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" - }, - "model_record": { - "epsilon_k_ab": 3620.659055413296 - } - }, - { - "id1": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "id2": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "model_record": { - "epsilon_k_ab": 3985.712354939514 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2602.856121010659 - } - }, - { - "id1": { - "cas": "57-11-4", - "name": "stearic acid", - "iupac_name": "octadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" - }, - "id2": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "model_record": { - "epsilon_k_ab": 4376.827812333881 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "epsilon_k_ab": 2062.0549085796843 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 2660.8980579146832 - } - }, - { - "id1": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "id2": { - "cas": "124-07-2", - "name": "caprylic acid", - "iupac_name": "octanoic acid", - "smiles": "CCCCCCCC(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" - }, - "model_record": { - "epsilon_k_ab": 2782.893825262826 - } - }, - { - "id1": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "model_record": { - "epsilon_k_ab": 3132.8758129429243 - } - }, - { - "id1": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "id2": { - "cas": "111-14-8", - "name": "heptanoic acid", - "iupac_name": "heptanoic acid", - "smiles": "CCCCCCC(=O)O", - "inchi": "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)" - }, - "model_record": { - "epsilon_k_ab": 3384.018293388662 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "epsilon_k_ab": 1837.402868523707 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1688.7829439651678 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2279.2093620203764 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "112-59-4", - "name": "diethylene glycol n-hexyl ether", - "iupac_name": "2-(2-hexoxyethoxy)ethanol", - "smiles": "CCCCCCOCCOCCO", - "inchi": "InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2496.733173990596 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1504.2518112253051 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "epsilon_k_ab": 2218.910866587451 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2563.556597112881 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1987.833691446436 - } - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 3198.134297524699 - } - }, - { - "id1": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "id2": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "model_record": { - "epsilon_k_ab": 3810.75507043412 - } - }, - { - "id1": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "id2": { - "cas": "60-33-3", - "name": "linoleic acid", - "iupac_name": "(9z,12z)-octadeca-9,12-dienoic acid", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-" - }, - "model_record": { - "epsilon_k_ab": 3492.904470528803 - } - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "model_record": { - "epsilon_k_ab": 1937.87467163345 - } - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "929-06-6", - "name": "diglycolamine (dga)", - "iupac_name": "2-(2-aminoethoxy)ethanol", - "smiles": "NCCOCCO", - "inchi": "InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2" - }, - "model_record": { - "epsilon_k_ab": 1934.249811979215 - } - }, - { - "id1": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "id2": { - "cas": "102-71-6", - "name": "triethanolamine (tea)", - "iupac_name": "2-[bis(2-hydroxyethyl)amino]ethanol", - "smiles": "OCCN(CCO)CCO", - "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" - }, - "model_record": { - "epsilon_k_ab": 1735.184926747674 - } - }, - { - "id1": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 1848.5132001488505 - } - }, - { - "id1": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "epsilon_k_ab": 2629.191211453204 - } - }, - { - "id1": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" - }, - "id2": { - "cas": "112-92-5", - "name": "1-octadecanol", - "iupac_name": "octadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 3039.0344508829207 - } - }, - { - "id1": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "id2": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "epsilon_k_ab": 2265.052065751096 - } - }, - { - "id1": { - "cas": "149-57-5", - "name": "2-ethyl hexanoic acid", - "iupac_name": "2-ethylhexanoic acid", - "smiles": "CCCCC(CC)C(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 1839.3350979375596 - } - }, - { - "id1": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "id2": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "model_record": { - "epsilon_k_ab": 2691.9923962718995 - } - }, - { - "id1": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "id2": { - "cas": "24800-25-7", - "name": "tetrapropylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)COC(C)CO", - "inchi": "InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3" - }, - "model_record": { - "epsilon_k_ab": 2588.5673856904145 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "model_record": { - "k_ij": -0.0047396817781802 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "model_record": { - "k_ij": -0.0031209441610868 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.1489635762249906 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0074796124636563 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "model_record": { - "k_ij": -0.0050901934709135 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0379499135264164 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.094146771790279 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0004508383764894 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0015140118492983 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0272313480049679 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0545744823038085 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0549069732782016 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": -0.00908838089796 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "model_record": { - "k_ij": 0.0318948343293239 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0055368617501635 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0196970984117714 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0731048441807234 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0113642482238271 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": -0.024180948156429 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.007426677387099 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": -0.006027654289102 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0172296774149397 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0609862194492458 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "542-10-9", - "name": "1,1-ethanediol diacetate", - "iupac_name": "1-acetyloxyethyl acetate", - "smiles": "CC(=O)OC(C)OC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0193829701007464 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0168055340807048 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": -0.0305499523796333 - } - }, - { - "id1": { - "cas": "75-07-0", - "name": "acetaldehyde", - "iupac_name": "acetaldehyde", - "smiles": "CC=O", - "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3" - }, - "id2": { - "cas": "111-34-2", - "name": "butyl vinyl ether", - "iupac_name": "1-ethenoxybutane", - "smiles": "C=COCCCC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0105128769378307 - } - }, - { - "id1": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "smiles": "CC(=N)O", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0785368306589695 - } - }, - { - "id1": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "smiles": "CC(=N)O", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0493822929432623 - } - }, - { - "id1": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "smiles": "CC(=N)O", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0553509236834142 - } - }, - { - "id1": { - "cas": "60-35-5", - "name": "acetamide", - "iupac_name": "acetamide", - "smiles": "CC(=N)O", - "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0743693599280208 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "model_record": { - "k_ij": -0.028130737122414 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.1737591248982175 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.1259855018060474 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0495398872644424 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "model_record": { - "k_ij": -0.1357322972959583 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0579766361971184 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "model_record": { - "k_ij": -0.1535915120302881 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.1294212495454511 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.041313974762384 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0721434388773096 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0993123564323969 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0562558465788071 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0262707178888793 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0247600561107456 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": -0.0626940102935854 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "model_record": { - "k_ij": -0.0365028387018074 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0985115590428584 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0181989194986215 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0101370125689732 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0109697001729079 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0864705731591901 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0270439802358256 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "model_record": { - "k_ij": 0.00363288282163 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0050404555296642 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0687099246383701 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.053110506838196 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0616486169480122 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0382585841604793 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0981926451241045 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0707526229573235 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0684346783468696 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0882586782772489 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0129143185072413 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0009181296434485 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0087981195922753 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.1060771915481881 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": -0.0121740001053096 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": -0.0329534526386073 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": -0.1474066573140803 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.1399885312535908 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.1352928975714422 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.1147968594416153 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0096682136316601 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0251621035023883 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0034345669555857 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.1006491510412745 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0845204125099649 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0369996176063479 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": 0.0083404185639461 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.1018833068836565 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0181161059116434 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0410509628140918 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0664241356616724 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0304045637425558 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -0.014304672333365 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0195319954591936 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0323012967804126 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0607716436772512 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.1045085369400023 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0672856735166875 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0645661260393405 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "model_record": { - "k_ij": -0.0224626397367044 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0955555531237937 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": -0.0599106701757101 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0169009102347297 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0104966590798798 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "k_ij": -0.0033435147853578 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "k_ij": -0.1540191732487185 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0068080813653957 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0647552684318999 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.1103400266877139 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": -0.0222555195380845 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0671963814647797 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0181738404777065 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.1436358597740568 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0651387420402479 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": -0.083781511985129 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0984832352881147 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0804468531716016 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0088634108666989 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -1.272150623374261e-05 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "model_record": { - "k_ij": -0.0217372495561605 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "model_record": { - "k_ij": -0.0550626750475185 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0489139569283334 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "model_record": { - "k_ij": -0.0915541889927217 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0013718600840415 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0729713786949102 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": -0.1028918956313076 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0314652933263471 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-70-7", - "name": "hexanoic acid methyl ester", - "iupac_name": "methyl hexanoate", - "smiles": "CCCCCC(=O)OC", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0910989155315018 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0180450248343592 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": -0.0179568613039929 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0202747519782041 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "model_record": { - "k_ij": -0.0242654438927273 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0662275205374421 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.0595795805846917 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "model_record": { - "k_ij": -0.0585897059006297 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0385373869825658 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0028498351122652 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0585853142497863 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "model_record": { - "k_ij": -0.0482956519800149 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0045877646298291 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0475781653561294 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "628-41-1", - "name": "1,4-cyclohexadiene", - "iupac_name": "cyclohexa-1,4-diene", - "smiles": "C1=CCC=CC1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2" - }, - "model_record": { - "k_ij": -0.0294815079618161 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "624-24-8", - "name": "methyl valerate", - "iupac_name": "methyl pentanoate", - "smiles": "CCCCC(=O)OC", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0847015272304699 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.1055360870294816 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.045735952683754 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0917098200626907 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0859888965322727 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "75-98-9", - "name": "pivalic acid", - "iupac_name": "2,2-dimethylpropanoic acid", - "smiles": "CC(C)(C)C(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)" - }, - "model_record": { - "k_ij": -0.0613220229551931 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0843910453538709 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0429345843586812 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": -0.1589189752940732 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0604448718236034 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "model_record": { - "k_ij": -0.0275679992361422 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0387465691099224 - } - }, - { - "id1": { - "cas": "75-05-8", - "name": "acetonitrile", - "iupac_name": "acetonitrile", - "smiles": "CC#N", - "inchi": "InChI=1S/C2H3N/c1-2-3/h1H3" - }, - "id2": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0749866686080991 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-96-4", - "name": "ethyl bromide", - "iupac_name": "bromoethane", - "smiles": "CCBr", - "inchi": "InChI=1S/C2H5Br/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.012272656079657 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0034368521321907 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "model_record": { - "k_ij": -0.0835145556973127 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0090203506283719 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "model_record": { - "k_ij": -0.0626943145946061 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0024564868465697 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0091066543826652 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0484374561599695 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0101621137324655 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0068259427611578 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": -0.0100245025251731 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.048614785563208 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0023950134788558 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0322077576589451 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "model_record": { - "k_ij": -0.025018214862754 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0155407006919157 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0582730137502529 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0513118471295929 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0607146995948177 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0210954777699177 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0313850400681242 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.011778300999899 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": -0.0300143753697132 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0161699783563671 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0280464265901905 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0373773023320584 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0010995561656013 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0123339156972549 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0204876560345675 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0321888567681189 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0056870331852688 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0063203216975294 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0554398987094738 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": -0.000150301201889 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.038454601563984 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0382624424926615 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0381826449756012 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0098666133797534 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0448306598017063 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.003152758924961 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "model_record": { - "k_ij": 0.0208706125537374 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0248101280407107 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0410290034342081 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0885947615950033 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0924566781015495 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0005859721757629 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0493094639533299 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0027816395139954 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0221444119175206 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.044461104876999 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0982943240429156 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0358669797216786 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.1269092765590445 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0406470332176134 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0034231891625151 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0022624672509506 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0474365151530405 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": 0.0009214141108434 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0411398916527233 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0379824644511487 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0161494836238417 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0042246730239231 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0006282949010203 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0201533602760918 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0376971319375702 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0120546918815428 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0030148405996346 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0055850691238935 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0142937364313404 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0573101818935819 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0002156075100951 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0262625354651627 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": 0.0077442617464329 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0352878412382655 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0212188763458479 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "k_ij": -0.003329768393204 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-94-4", - "name": "methyl vinyl ketone", - "iupac_name": "but-3-en-2-one", - "smiles": "C=CC(C)=O", - "inchi": "InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0056332036611757 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0561585604516141 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": -0.0046468712069342 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 1.2819883181372511e-05 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0076914354217652 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "model_record": { - "k_ij": -0.0105484718407923 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0571352441782775 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0121204613111697 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0089828931274151 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": -1.2840743497071585e-05 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0231192667247859 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0210743382430446 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0677321148878543 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0048800927562491 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0016177740763893 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0239020722792494 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": -0.0242723168315154 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.011098134805994 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0287531467043239 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0946441832992543 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0077031610142356 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.0155751371584587 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0039183071840258 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0135907172465951 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0416178341683004 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0184596592685411 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0061063304264255 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": -0.0258420222049528 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0208851979329283 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": 0.0705550465353534 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0421055606316837 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 2.776227516297464e-05 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0150576737284302 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0104086499975869 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.0169824861338467 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0250607879388461 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0115789577207987 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0016481421899917 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0145520501869823 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0011223216581276 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0414370194554739 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": 0.003323185036782 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.010672510699806 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.012933025207412 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0262909676823136 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0227330758807973 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0035814157765179 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.0111411232823518 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0291480491674617 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "model_record": { - "k_ij": -0.1753668156618763 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.020866632610466 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": -0.0052303230125789 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "model_record": { - "k_ij": -0.1134346923559948 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "88-75-5", - "name": "o-nitrophenol", - "iupac_name": "2-nitrophenol", - "smiles": "O=[N+]([O-])c1ccccc1O", - "inchi": "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H" - }, - "model_record": { - "k_ij": -0.0439796670418796 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0645207704363767 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0047345108264609 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "77-76-9", - "name": "2,2-dimethoxypropane", - "iupac_name": "2,2-dimethoxypropane", - "smiles": "COC(C)(C)OC", - "inchi": "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0109850194297107 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "model_record": { - "k_ij": -0.01192723665576 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "105-57-7", - "name": "1,1-diethoxyethane", - "iupac_name": "1,1-diethoxyethane", - "smiles": "CCOC(C)OCC", - "inchi": "InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0047589537131354 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.004847947898652 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": -0.0041662714078008 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0176661506975047 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0408587853224324 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0004539966089404 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": -0.0664954435682299 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "3710-30-3", - "name": "1,7-octadiene", - "iupac_name": "octa-1,7-diene", - "smiles": "C=CCCCCC=C", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2" - }, - "model_record": { - "k_ij": 0.0316786938145038 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0024601072872904 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "111-25-1", - "name": "1-bromohexane", - "iupac_name": "1-bromohexane", - "smiles": "CCCCCCBr", - "inchi": "InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0114374523650511 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0047523963159636 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0158326388573759 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0179136015464818 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.0932265472348847 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0063297392963113 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0295956386870521 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0309221980559051 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "75-86-5", - "name": "2-hydroxy-2-methylpropionitrile", - "iupac_name": "2-hydroxy-2-methylpropanenitrile", - "smiles": "CC(C)(O)C#N", - "inchi": "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0620719517069288 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "model_record": { - "k_ij": -0.1456364504136064 - } - }, - { - "id1": { - "cas": "67-64-1", - "name": "acetone", - "iupac_name": "propan-2-one", - "smiles": "CC(C)=O", - "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" - }, - "id2": { - "cas": "616-47-7", - "name": "n-methylimidazole", - "iupac_name": "1-methylimidazole", - "smiles": "Cn1ccnc1", - "inchi": "InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0313041934560577 - } - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.1351256139443519 - } - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": 0.0513480702069324 - } - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0161473419313805 - } - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0759746651548184 - } - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": -0.1793514325316589 - } - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0367575198528999 - } - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0662309543634573 - } - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0716449384924922 - } - }, - { - "id1": { - "cas": "107-15-3", - "name": "ethylenediamine", - "iupac_name": "ethane-1,2-diamine", - "smiles": "NCCN", - "inchi": "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" - }, - "id2": { - "cas": "111-41-1", - "name": "n-(2-aminoethyl)ethanolamine", - "iupac_name": "2-(2-aminoethylamino)ethanol", - "smiles": "NCCNCCO", - "inchi": "InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.014825985237108 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0180661458747403 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0046637093264571 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": 0.0034905000830457 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0209096537433605 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0045789336330706 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0305558512133867 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0035430669295651 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0013196071616604 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0187763919791795 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0364425297307804 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0156443373280381 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0069506938644255 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0082784899689936 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0053938485638321 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0103971796997633 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0017083576968382 - } - }, - { - "id1": { - "cas": "106-93-4", - "name": "1,2-dibromoethane", - "iupac_name": "1,2-dibromoethane", - "smiles": "BrCCBr", - "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0064164180217349 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0378434717754821 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "model_record": { - "k_ij": -0.0033409984919248 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "model_record": { - "k_ij": 0.0121494708798426 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.006794349687811 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.2061228933409588 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.01353464081625 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.045520794061554 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "model_record": { - "k_ij": -0.0289069952116886 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0596158798588989 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.072334674793213 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0250657046273462 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0722924860164297 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.1912114239021224 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0300977690377729 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0039520197908816 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0769999567614106 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.1162171950977801 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "k_ij": -0.0046318311529017 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.1360939566250675 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0020287360691516 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": -0.0174055912683637 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "112-34-5", - "name": "diethylene glycol monobutyl ether", - "iupac_name": "2-(2-butoxyethoxy)ethanol", - "smiles": "CCCCOCCOCCO", - "inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.017860469882484 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "111-77-3", - "name": "diethylene glycol monomethyl ether", - "iupac_name": "2-(2-methoxyethoxy)ethanol", - "smiles": "COCCOCCO", - "inchi": "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0275319620284209 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0017837003824935 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "k_ij": -0.029533319714347 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "model_record": { - "k_ij": 0.049191155352384 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0839719209787344 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0027158308450135 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "109-83-1", - "name": "n-methylethanolamine", - "iupac_name": "2-(methylamino)ethanol", - "smiles": "CNCCO", - "inchi": "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0018860935624066 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "model_record": { - "k_ij": -0.094036256105859 - } - }, - { - "id1": { - "cas": "107-21-1", - "name": "1,2-ethanediol", - "iupac_name": "ethane-1,2-diol", - "smiles": "OCCO", - "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0145905094734278 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0380229484040153 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0403800341156568 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": -0.0004689931644834 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0058179268761884 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0171751614026804 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0467937000307369 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0517248628777272 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0273122666402 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0048788924362214 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0020098069600003 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0268658574285732 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0271130636777437 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0150777233844823 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0035529569745326 - } - }, - { - "id1": { - "cas": "75-03-6", - "name": "ethyl iodide", - "iupac_name": "iodoethane", - "smiles": "CCI", - "inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "592-50-7", - "name": "1-fluoropentane", - "iupac_name": "1-fluoropentane", - "smiles": "CCCCCF", - "inchi": "InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0043108823654023 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0053548451806114 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "model_record": { - "k_ij": 0.0053594361209764 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "model_record": { - "k_ij": 0.031530682535241 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0023482267824823 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0328213452030862 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0399339657155913 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0285261716288814 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": 0.0258288111550155 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "513-86-0", - "name": "3-hydroxy-2-butanone", - "iupac_name": "3-hydroxybutan-2-one", - "smiles": "CC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3" - }, - "model_record": { - "k_ij": 0.0630052746628912 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0267165094306417 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0148680529732436 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0364416067505905 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0198359578035373 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.014871515252584 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0559351264415716 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0526081359756651 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0630949084358683 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0525650228026651 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.006184050918255 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0525402002636818 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0659912952970651 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0060126437096809 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0161582553732157 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.1049215141136338 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0038490928480318 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0413122951331247 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0439999137002824 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0382701522147108 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0505177142188886 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.0332141346973129 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0388297947370351 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.002256333179704 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0401948398019324 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0452048419094515 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0187728068830033 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0710468607341359 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0118856024489421 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0466160372819261 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0963443564758972 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0361056433127683 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0209539371044906 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0186037559441916 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0678900770059956 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0936888102050097 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.060992777440435 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.1461200601240479 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0430062171563976 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0299669121515719 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0383651675661658 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0095305085461639 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0450730032153825 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0084050726446895 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0389882601184843 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0310156169948933 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0842762903127191 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": -0.1099428195862581 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": 0.0413162767853793 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.1019582499765397 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "k_ij": 0.0599178134735089 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0056050598859638 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0257990128896201 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0503162440636119 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0446608263255973 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0095491883139805 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0452805593980087 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0327814849912277 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0157820313710958 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.034407742927741 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0280290058548523 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.018685729046601 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0176864579938789 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.02817412362107 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0147281938769891 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0250129996928192 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": 0.0262053330429821 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0277958405337458 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.1148878661346574 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0017444473431635 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0247576719186668 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": 0.09996117315022 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.010330143859807 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0015430322326058 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.09758070157782 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0532032933372057 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0491939014058792 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0096542515354522 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.03829700122964 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0489715191251749 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0357095820838803 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0247919840246262 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0475062222588353 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0090853350526855 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0160518038724768 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.0282804374898701 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0284593891314422 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0261808547437135 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0467130582013269 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "334-48-5", - "name": "capric acid", - "iupac_name": "decanoic acid", - "smiles": "CCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" - }, - "model_record": { - "k_ij": 0.1073609288869555 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0306658847941568 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0455189267901308 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1455-13-6", - "name": "o-deuteromethanol", - "iupac_name": "deuteriooxymethane", - "smiles": "[2H]OC", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" - }, - "model_record": { - "k_ij": 0.005217093767424 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.029798155771354 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "model_record": { - "k_ij": 0.0434535742661739 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0128052817426051 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "model_record": { - "k_ij": -0.0051305224689061 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0585140876690255 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0419158759829274 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "model_record": { - "k_ij": 0.0391354416287782 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "112-62-9", - "name": "methyl oleate", - "iupac_name": "methyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-" - }, - "model_record": { - "k_ij": 0.0080068715557336 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0273200242046178 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0181581429995594 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0221741793428231 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0454722621963881 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "k_ij": 0.0622357944278877 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "model_record": { - "k_ij": -0.0814685982825754 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": 0.0366763924355398 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "model_record": { - "k_ij": 0.034433756384031 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0219282044528409 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0180107175950086 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0121682375404099 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0101708030546075 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0334742396153787 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0032391548643283 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0111391947154399 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "model_record": { - "k_ij": 0.0190354649702181 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.003982213046323 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0288766122159697 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0308279644823888 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0343958579235214 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0289621476727065 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0241746936880781 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "model_record": { - "k_ij": 0.0239397330904578 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1000-63-1", - "name": "butyl tert-butyl ether", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]butane", - "smiles": "CCCCOC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3" - }, - "model_record": { - "k_ij": 3.168948772441488e-05 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "model_record": { - "k_ij": 0.049166964487352 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0952064685780295 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0168851492395531 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0078511875549348 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "626-89-1", - "name": "4-methyl-1-pentanol", - "iupac_name": "4-methylpentan-1-ol", - "smiles": "CC(C)CCCO", - "inchi": "InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0151508476745366 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0503590573616903 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-33-2", - "name": "dodecanoic acid ethyl ester", - "iupac_name": "ethyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0433368228451292 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": -0.0383273019754617 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0239245740773024 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0016797359053659 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.014608648772977 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0196497406065181 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "model_record": { - "k_ij": -1.4008596323469456e-05 - } - }, - { - "id1": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.006249081273891 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0092367462130365 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0583809369190826 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0184422180208069 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0155255379898856 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0124620358336578 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0354445735002161 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0093644718764911 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0277061545120316 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0120909942433183 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0112076339802384 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0123679490752459 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0042225597795122 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.000808011653848 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.01717723738777 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0036240341291886 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0090029196203324 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0095330722684297 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0601430263067184 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.006306385060341 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0064057647767476 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0207591646301522 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0759622263934454 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0014686505265226 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0027357789720497 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0225070171296997 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0075224067034093 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -3.8440768901220415e-05 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.0282804487289164 - } - }, - { - "id1": { - "cas": "60-29-7", - "name": "diethyl ether", - "iupac_name": "ethoxyethane", - "smiles": "CCOCC", - "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0070241981375636 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0496634062662061 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0394182638834578 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0067929162715118 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 1.3654901594687415e-05 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0296829263957402 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0152546134280818 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.082864542217228 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0168358733617507 - } - }, - { - "id1": { - "cas": "75-21-8", - "name": "ethylene oxide", - "iupac_name": "oxirane", - "smiles": "C1CO1", - "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "model_record": { - "k_ij": -0.041376944317863 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0050563168748612 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0152911417262831 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": 0.0097302997124109 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0037883248773622 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0397418337210274 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0048209133673127 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0152889939061822 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0012018665342284 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0028248220843448 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.018521166241872 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0168381221739728 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0393013202961079 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0052519570526565 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0133771836654857 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0127053639011535 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0089589687360065 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": -0.0149794749457253 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.014447917717357 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0078041914819879 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "k_ij": -0.0261589909793163 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0201383468379076 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "626-93-7", - "name": "2-hexanol", - "iupac_name": "hexan-2-ol", - "smiles": "CCCCC(C)O", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0128485531303101 - } - }, - { - "id1": { - "cas": "107-18-6", - "name": "2-propen-1-ol", - "iupac_name": "prop-2-en-1-ol", - "smiles": "C=CCO", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" - }, - "id2": { - "cas": "1190-76-7", - "name": "cis-crotonitrile", - "iupac_name": "(z)-but-2-enenitrile", - "smiles": "C/C=C\\C#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-" - }, - "model_record": { - "k_ij": -0.0856323660016246 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "model_record": { - "k_ij": 0.001582478331291 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": 0.055714835892472 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0405177363838378 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0589778402297952 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0572660020964548 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0405326099247009 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0174846197683995 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.4414118454019891 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.1131576802544899 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.1006088659981486 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0873806183587286 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.527335773911732 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0288250368443884 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0043719327303215 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": 0.0057060074478977 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.01816502302489 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "model_record": { - "k_ij": -0.0217610112303812 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0468839943858504 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.0347658697029431 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0494004116576641 - } - }, - { - "id1": { - "cas": "64-18-6", - "name": "formic acid", - "iupac_name": "formic acid", - "smiles": "O=CO", - "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": -0.0450295883469535 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0035220757581419 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0247490685159486 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "model_record": { - "k_ij": 0.0008143143071582 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0053437901227684 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": 0.0126141726297103 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0049122159268104 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "model_record": { - "k_ij": -0.003969257023258 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0240271137338141 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0629836518111629 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0579800272737799 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "model_record": { - "k_ij": 0.0206989107022439 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0035497686502467 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0033396201387031 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0020341975707811 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0520531396837776 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0525569575961771 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0554392988605946 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0476108822227453 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0696895253071123 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0013822125855812 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "model_record": { - "k_ij": 0.0073932321741922 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0141727544088938 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.030940887094003 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.008322340727242 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.021798025269221 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0173900358131987 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0128372997350067 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0186314271704075 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0094916815426433 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0077869973556418 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0066882180547346 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0092020032992686 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0271234866234081 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0556809739026859 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -8.80636309516035e-05 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0032733308830022 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0099728641950766 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0133916709320445 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.024118614848043 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0775673278187967 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0328466251667056 - } - }, - { - "id1": { - "cas": "109-94-4", - "name": "formic acid ethyl ester", - "iupac_name": "ethyl formate", - "smiles": "CCOC=O", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "93-55-0", - "name": "ethyl phenyl ketone", - "iupac_name": "1-phenylpropan-1-one", - "smiles": "CCC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0022504782164034 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0294358226415426 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0036645865407165 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0009830958018288 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0336438462526482 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": -0.0020026344245427 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0102766503127672 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0318916227474907 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0315288900320389 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0793008588739324 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0612749233848647 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0196256051552604 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0428631941428231 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0467008782643647 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0178702363622435 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0399481743862317 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0265901668434539 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.028195771150225 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0058202030229308 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0535623315214848 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 1.122059964609057e-05 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0141371257657283 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.002448919781134 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.1386382220767172 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0109320581088431 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0068294818568653 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "100-63-0", - "name": "phenylhydrazine", - "iupac_name": "phenylhydrazine", - "smiles": "NNc1ccccc1", - "inchi": "InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2" - }, - "model_record": { - "k_ij": -0.0054561026982617 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0379826887645052 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "model_record": { - "k_ij": -0.0026130505910359 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0077240556490539 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0065597245884097 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": 0.0054473800388495 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0080020994710564 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": -0.0030240297668846 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": -0.045611329363956 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": 0.0113248824979417 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": -0.0234509318816592 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0123184977228388 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0572941788341726 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "108-42-9", - "name": "m-chloroaniline", - "iupac_name": "3-chloroaniline", - "smiles": "Nc1cccc(Cl)c1", - "inchi": "InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2" - }, - "model_record": { - "k_ij": 0.001080896086825 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "544-01-4", - "name": "diisopentyl ether", - "iupac_name": "3-methyl-1-(3-methylbutoxy)butane", - "smiles": "CC(C)CCOCCC(C)C", - "inchi": "InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0087087042275979 - } - }, - { - "id1": { - "cas": "62-53-3", - "name": "aniline", - "iupac_name": "aniline", - "smiles": "Nc1ccccc1", - "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" - }, - "id2": { - "cas": "101-83-7", - "name": "dicyclohexylamine", - "iupac_name": "n-cyclohexylcyclohexanamine", - "smiles": "C1CCC(NC2CCCCC2)CC1", - "inchi": "InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2" - }, - "model_record": { - "k_ij": 0.0067564024091484 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0208296578104085 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0057672458865617 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0075885334346182 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0009503262955482 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "model_record": { - "k_ij": -0.0232408775286958 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0218146834793369 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": -7.929809105956721e-06 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0195321516450636 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0161237632975283 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0167717780328522 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0266301009974195 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "model_record": { - "k_ij": 0.020167227648042 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0102857756209269 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0010591578870628 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0011640139749216 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0023609122884734 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0121668685194364 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0493844632305001 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0104543340348312 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0185667302067847 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0343429078501076 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0229417428091649 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0088422107903867 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "model_record": { - "k_ij": 0.0063281110638869 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0224706523857354 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.007878597250703 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0021493825347816 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0333694535069428 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.021657467944572 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0168923707168873 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0019987859330725 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0656310807421092 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0047349856350973 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0065414407985798 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0021670675931109 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0228764951637773 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0079844846156651 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0016635705185558 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0178907982095185 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0139177353222881 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.005359157983373 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0142236330974879 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0006445747543793 - } - }, - { - "id1": { - "cas": "100-66-3", - "name": "methoxybenzene", - "iupac_name": "anisole", - "smiles": "COc1ccccc1", - "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0425182865944973 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0058335273546882 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0092907018889019 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 4.324910208776396e-06 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": -0.0023140864180839 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0535317755163108 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0300228249210926 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.010254937859089 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0115183382313276 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "model_record": { - "k_ij": 0.0017259119581842 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0171930021798105 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0311080268534901 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0220800204037497 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0865780847339999 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.020606848485943 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0017869955748417 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0228796561925735 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": -0.026529811305236 - } - }, - { - "id1": { - "cas": "109-06-8", - "name": "2-methylpyridine", - "iupac_name": "2-methylpyridine", - "smiles": "Cc1ccccn1", - "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" - }, - "id2": { - "cas": "123-63-7", - "name": "2,4,6-trimethyl-1,3,5-trioxane", - "iupac_name": "2,4,6-trimethyl-1,3,5-trioxane", - "smiles": "CC1OC(C)OC(C)O1", - "inchi": "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0030722479069084 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0020325569383816 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0452610197619714 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": -0.0010403207054835 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "model_record": { - "k_ij": 0.0007083964807219 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0106083222056998 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0023522769121293 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0030877981897646 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0270228389014421 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0105062691607149 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": 0.0032206005218312 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0007559253998498 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "586-62-9", - "name": "terpinolene", - "iupac_name": "1-methyl-4-propan-2-ylidenecyclohexene", - "smiles": "CC1=CCC(=C(C)C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3" - }, - "model_record": { - "k_ij": -0.015054778084078 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.152970452707771 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0147986981963603 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0020201721930328 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "5989-54-8", - "name": "l-(-)-limonene", - "iupac_name": "(4s)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1" - }, - "model_record": { - "k_ij": -0.0007798176542814 - } - }, - { - "id1": { - "cas": "80-56-8", - "name": ".alpha.-pinene", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene", - "smiles": "CC1=CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" - }, - "id2": { - "cas": "473-55-2", - "name": "2,6,6-trimethylbicyclo[3.1.1]heptane", - "iupac_name": "2,6,6-trimethylbicyclo[3.1.1]heptane", - "smiles": "CC1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0056436698015489 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0186798822553942 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0157444069413865 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0114175780295045 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "model_record": { - "k_ij": -0.0111374222724176 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": 0.0047286479408978 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0078375140559816 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0345510003732807 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0130409041468837 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0424538538912947 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0504754921008191 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0511641297905286 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0522192552355489 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0023043769201633 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0101695557908363 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0317118704365442 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.026117162137077 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0007872684090682 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0410268386671958 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0031758024046321 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0067628015656074 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0197119889003149 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": -0.0120650671887742 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0402814529585663 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0403648726552124 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0119158985800494 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0446138010902544 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0273473961828534 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0082916989097486 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0468851693614896 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0431312748139945 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0312903665286702 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0364053196385808 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0081335939983263 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0037197725937095 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0101662982834115 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0054972607866496 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0178419880226152 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0065983847588721 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.017169903756145 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0257966000600696 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0013100115639227 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0020962391464953 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0282054383690113 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0350314966221201 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0371050030669584 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0092570990333655 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0067142818287544 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0016902228351942 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0009310940423139 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0152157047176216 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0010280559760561 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0039453391228989 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0029711322675897 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0309400938536987 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0133050886567937 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": -0.0143851801353255 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.01570988734773 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0010429047741948 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0204269090044117 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0065178423227719 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "model_record": { - "k_ij": -0.0622348528005857 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0014745255580391 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0426237251245046 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0076152792877249 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.035870616036971 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0206837991176355 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": -0.0156461538248846 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.0191834003894827 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0054214077614057 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0161137295706369 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0012446944186716 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0183197694517394 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0051308493636083 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0008875000836648 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0164822161574985 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0060817069846408 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0092614418990972 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "141-97-9", - "name": "ethyl acetoacetate", - "iupac_name": "ethyl 3-oxobutanoate", - "smiles": "CCOC(=O)CC(C)=O", - "inchi": "InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.057276312246122 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0315181286216605 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0294619705226428 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0113491240943227 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0046241494151813 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "105-57-7", - "name": "1,1-diethoxyethane", - "iupac_name": "1,1-diethoxyethane", - "smiles": "CCOC(C)OCC", - "inchi": "InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0084637396248229 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0109134923139388 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0238944118753434 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0147056332117522 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": -0.0123915605254907 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0075742963104544 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0195225681393796 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0218686732085852 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "122-79-2", - "name": "acetic acid phenyl ester", - "iupac_name": "phenyl acetate", - "smiles": "CC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0015359669726583 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0135429121420774 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0036249360004985 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0059275095751805 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0233574491007489 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0041923463283804 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0225867192615066 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "102-09-0", - "name": "diphenyl carbonate", - "iupac_name": "diphenyl carbonate", - "smiles": "O=C(Oc1ccccc1)Oc1ccccc1", - "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": -0.0057155790853757 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "model_record": { - "k_ij": 0.0047636528440515 - } - }, - { - "id1": { - "cas": "141-78-6", - "name": "ethyl acetate", - "iupac_name": "ethyl acetate", - "smiles": "CCOC(C)=O", - "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0341968660802981 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0298303390686816 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0201536929370107 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.023239553023102 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": 0.0263526263863033 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0185489574301012 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0016324892292853 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0425553259028022 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0167168800781925 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0115063844442274 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.058820092819416 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0333916870636888 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0419702553173907 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0170456512573046 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -1.7142913179489938e-05 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0208729389191764 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.008842349461691 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0861113849210636 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0319657827160445 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0157204475947469 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0142177343068881 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0812613767961392 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0221834876211792 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0263794233332313 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0125703128163227 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0283710949311606 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0161060792239613 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.019128075771891 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.021846990222346 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0204535681661359 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0302234038406712 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0160845852568592 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0563795058084952 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0975826745292401 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0060792164320868 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0284408975252975 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0243029025306672 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0335427696187656 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0164628154568121 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0171504592173482 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0266576635458657 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0313451130694377 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0346880232452453 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0021746273542749 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0150255095506977 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0871289082846217 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0014122922400938 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.006095983042794 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0154997183980658 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0306150541448583 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0460434483781473 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0155321455049185 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.1005369562981729 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": 0.0026725136489946 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0128099084173986 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0323273117152204 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0338255161984493 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0175820670542138 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0145209015849825 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0056524296857228 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.022501160060526 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.0158491716398777 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0009727118870193 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0115237240710562 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0148093679195398 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0292742214819454 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0300874183376841 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "model_record": { - "k_ij": 0.0237206308152482 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0224147217400343 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": 0.0122458879488483 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0091842787874637 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.001536826019369 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0079530629910683 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0363400730811912 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0578778414354118 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0074876144793983 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0150650582998935 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0311814254819731 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.003958196704632 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0184313955807557 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0038623286743062 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0094968007700017 - } - }, - { - "id1": { - "cas": "78-92-2", - "name": "2-butanol", - "iupac_name": "butan-2-ol", - "smiles": "CCC(C)O", - "inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "6863-58-7", - "name": "di-sec-butyl ether", - "iupac_name": "2-butan-2-yloxybutane", - "smiles": "CCC(C)OC(C)CC", - "inchi": "InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0090716788943429 - } - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0889332654646966 - } - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0492348756885686 - } - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "k_ij": -0.0801166217970724 - } - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0955341647125777 - } - }, - { - "id1": { - "cas": "513-85-9", - "name": "2,3-butanediol", - "iupac_name": "butane-2,3-diol", - "smiles": "CC(O)C(C)O", - "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.1092596993882906 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0169482557173555 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0028586813559535 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.031024695954431 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0114256986300984 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.2453507860276912 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0073364316870839 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0284317817455201 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "model_record": { - "k_ij": 0.0271899280795455 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0078550084593298 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": -0.0048298970210059 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1842955600669596 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0704310263645748 - } - }, - { - "id1": { - "cas": "100-51-6", - "name": "benzyl alcohol", - "iupac_name": "phenylmethanol", - "smiles": "OCc1ccccc1", - "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "model_record": { - "k_ij": -0.0254230866324461 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0028639072443103 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0230679774643498 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": -0.0066186609110965 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.00499155138701 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0256485100002285 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0130877047785945 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0132611506949135 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0086207026868956 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0069041594146236 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0042747799566835 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.004198218335995 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0094960602934394 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0136296280633427 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "model_record": { - "k_ij": 0.0019903333512716 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "model_record": { - "k_ij": 0.0046400557674286 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0081406125047642 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0304237687601419 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0396885002407033 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": 0.0131390315609004 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0074551221752458 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0065560767732144 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0488490654231449 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0007101463764693 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0027813112268725 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.0036852615986795 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0209970561997773 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0162369024500375 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0172746273324865 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "model_record": { - "k_ij": -0.0017899772615534 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0054679281378386 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.000781790249927 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0216008336969188 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0112436937665122 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0050049337451212 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0008196733198182 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0007472186262349 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0152458273537742 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0139907479417967 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0027040769546718 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0340563887452187 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0544159241722936 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.013734235544705 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0028957634220051 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 0.0024487733478642 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0092659880255411 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0403053788342055 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0013772460170954 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.00517296621678 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0004638937600801 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -1.617898990244206e-05 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0331502421607587 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.019804325559029 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "3522-94-9", - "name": "2,2,5-trimethylhexane", - "iupac_name": "2,2,5-trimethylhexane", - "smiles": "CC(C)CCC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0019523199573467 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.000909497776064 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 1.2756507952523852e-05 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0130707566070275 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0552966661154019 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0217203738171208 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0025840572872742 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0167943213565413 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0125470983295131 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0181204652942116 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0173010028265086 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0449888699076151 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0007277376365098 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-41-5", - "name": "2-methyl-2,4-pentanediol", - "iupac_name": "2-methylpentane-2,4-diol", - "smiles": "CC(O)CC(C)(C)O", - "inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0412391144816041 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0009441006195086 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0331592570976322 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "model_record": { - "k_ij": 0.0208555845843849 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0006621117083175 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0021572883190281 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": -0.0005721753715702 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0019441684239143 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0213322966332476 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.0082121165736292 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0078228392224571 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.005543261973292 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0004475957330055 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": 0.0166009845956542 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": -0.0025626411202541 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0388468261430605 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0244650075068654 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0031911833295664 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "model_record": { - "k_ij": 0.0121803650130726 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0005044306095313 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0088142444850233 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -2.0352791393234874e-05 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0184343943810866 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "model_record": { - "k_ij": -0.0022546390605749 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0016748985364675 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": 0.0070144967341895 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1259795543730127 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0234954431868446 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0012873431921272 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0135290794299854 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0013609861367447 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "536-78-7", - "name": "3-ethylpyridine", - "iupac_name": "3-ethylpyridine", - "smiles": "CCc1cccnc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.001307442208887 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "model_record": { - "k_ij": -0.0237411996982584 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.011053381328831 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0025816566914437 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0569409379234966 - } - }, - { - "id1": { - "cas": "100-41-4", - "name": "ethylbenzene", - "iupac_name": "ethylbenzene", - "smiles": "CCc1ccccc1", - "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "5891-21-4", - "name": "5-chloro-2-pentanone", - "iupac_name": "5-chloropentan-2-one", - "smiles": "CC(=O)CCCCl", - "inchi": "InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0112836586317842 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -1.931285126911086e-05 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0217756573795159 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": -0.0010140711482378 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0221771899338872 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0038112496586276 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0104257474870753 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0133795001792182 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0012875347996239 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0029735933205616 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.004610644011309 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0184936429643078 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": 0.0137326751870735 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0380976440048151 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0035548002079156 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0114453401691858 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0058740271851549 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0019949086766335 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0052350795158107 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0042000134368153 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0144888994064817 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0114700709711268 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": -0.0030095997702706 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0050087716719022 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "88-72-2", - "name": "o-nitrotoluene", - "iupac_name": "1-methyl-2-nitrobenzene", - "smiles": "Cc1ccccc1[N+](=O)[O-]", - "inchi": "InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.0167645127581844 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": 0.0017118219323564 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "1003-38-9", - "name": "2,5-dimethyltetrahydrofuran", - "iupac_name": "2,5-dimethyloxolane", - "smiles": "CC1CCC(C)O1", - "inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0086010973253706 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0097639899170672 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0426873790981455 - } - }, - { - "id1": { - "cas": "108-86-1", - "name": "bromobenzene", - "iupac_name": "bromobenzene", - "smiles": "Brc1ccccc1", - "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "93-55-0", - "name": "ethyl phenyl ketone", - "iupac_name": "1-phenylpropan-1-one", - "smiles": "CCC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0103098205207636 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "model_record": { - "k_ij": -0.0071057604366223 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0080211682684586 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": 0.0006727638917877 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0218893977069208 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0063213018454521 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0002257455611819 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0015900926174595 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0134780794925461 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0065056330402168 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0060896907068415 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0101577403749379 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.006908994683072 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0021100901198162 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0094860001990174 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.003117964102663 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0030595898048274 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "model_record": { - "k_ij": 0.0096937983766519 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0234586516386848 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0393366663284698 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0066198298111886 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0072628980561328 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0468392851374531 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0099141870061071 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0049956937590872 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0406168718226523 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0090841243400964 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0028060894749387 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0145305924063282 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": 0.0150495930948272 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0022683776656182 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.022805221032763 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-44-5", - "name": "phosgene", - "iupac_name": "carbonyl dichloride", - "smiles": "O=C(Cl)Cl", - "inchi": "InChI=1S/CCl2O/c2-1(3)4" - }, - "model_record": { - "k_ij": 0.0086546283314492 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0335521005537806 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0509309022988561 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0006033535786432 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0388264781909621 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0025784881309065 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0058395832575932 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0019786044090116 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0062617978373877 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -1.4699389809221398e-05 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0162994874982851 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0129616492326472 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0016998390623638 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0053313543936463 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0053504621108126 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0134294453634525 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0101523690169031 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0466332110498181 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0177059575035746 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0188851355445885 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0142120858337174 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0022229851225427 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": -0.0009642992761741 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0071056430217126 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0177689037221153 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0128837389908422 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": -0.0126299912066959 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0020813504092938 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0001896858914923 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "model_record": { - "k_ij": -0.0149387654589161 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0261581173817607 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0069106626421397 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": -2.15200657678779e-05 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0217990776566274 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "model_record": { - "k_ij": 0.0211368753884848 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0002594488563614 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "1003-38-9", - "name": "2,5-dimethyltetrahydrofuran", - "iupac_name": "2,5-dimethyloxolane", - "smiles": "CC1CCC(C)O1", - "inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0125291285643974 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0032151829402155 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0107680535346962 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1049908615066923 - } - }, - { - "id1": { - "cas": "108-90-7", - "name": "chlorobenzene", - "iupac_name": "chlorobenzene", - "smiles": "Clc1ccccc1", - "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0264580333336027 - } - }, - { - "id1": { - "cas": "106-46-7", - "name": "p-dichlorobenzene", - "iupac_name": "1,4-dichlorobenzene", - "smiles": "Clc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0315131375639087 - } - }, - { - "id1": { - "cas": "106-46-7", - "name": "p-dichlorobenzene", - "iupac_name": "1,4-dichlorobenzene", - "smiles": "Clc1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "model_record": { - "k_ij": -0.0009831241264164 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": -0.0180798011422916 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0304069761816476 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0156784235880313 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0122534898756334 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.004429606496731 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.0065120824206993 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0071342888612493 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0191337090531097 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0366144126112869 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "model_record": { - "k_ij": -0.0352403360895112 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": 0.0035083920163116 - } - }, - { - "id1": { - "cas": "100-47-0", - "name": "benzonitrile", - "iupac_name": "benzonitrile", - "smiles": "N#Cc1ccccc1", - "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.042759343200994 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "model_record": { - "k_ij": -0.012405552176696 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0455086532039747 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.001376552282288 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.024842430753761 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0246870473229499 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0127135970645055 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0228328639484821 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0010872507302683 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0661633882391381 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": -0.0199715917858468 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "model_record": { - "k_ij": -0.0151420383722507 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": 0.0182846514853988 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0220072298042103 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.026830965894583 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0265251596881363 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0273794633370912 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0428081292908837 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": 0.0228180948272777 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0211999099670552 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0001838025775875 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0187974231420592 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -0.003390402018014 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0148592042527011 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0143970452136049 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0110429849658857 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.030624380310086 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0047963854020599 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0634825450019856 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": -0.0548262813853369 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "124-11-8", - "name": "1-nonene", - "iupac_name": "non-1-ene", - "smiles": "C=CCCCCCCC", - "inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3" - }, - "model_record": { - "k_ij": 0.0020601357275964 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": -0.0090722916921848 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": -0.0166148551532308 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": -0.0159243244529049 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0071876604905429 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "model_record": { - "k_ij": -0.0009602565136298 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0473408568205676 - } - }, - { - "id1": { - "cas": "98-95-3", - "name": "nitrobenzene", - "iupac_name": "nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1", - "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "538-93-2", - "name": "isobutylbenzene", - "iupac_name": "2-methylpropylbenzene", - "smiles": "CC(C)Cc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0159414528789589 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0064875921773024 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0244573376061023 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0212017621171078 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.030342593798176 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.006245748661081 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0108306806613682 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0284628496325132 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0174434454522761 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0153060537938047 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "model_record": { - "k_ij": 0.010155714239664 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0171475364619559 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0158103102772695 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0021867514637328 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0107295067438157 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0029966168800404 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "model_record": { - "k_ij": 0.0011518080942059 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0046314543387725 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0034563442013671 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0022558518049793 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0261663739466697 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0249364703544988 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0112625032383255 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0065355785692157 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0120981470678196 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "model_record": { - "k_ij": -1.620846793519973e-05 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0110395047428338 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0178951215653939 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0361262053818228 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": -0.0119952054573702 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0128644982387527 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0121013272892874 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0388027786219324 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0016738748205402 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0134077992178239 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.0048681315334769 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0067229501823208 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0343848678945473 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0120332330828409 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.010156766562143 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0054661773943372 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "model_record": { - "k_ij": -0.0054256968093375 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.008178411548025 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.0059787012098229 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.0076002859028733 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0240912173279162 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0360639989453367 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0063598828489388 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0116115741244535 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0077468452045378 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0150902720193799 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.012603513380476 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0040531215493986 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0094325012901252 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0288206164457329 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0307950990597225 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0102724030021595 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0045674939620572 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0025196681825701 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0226661619451262 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": -0.0010251040748074 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0163123882189257 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0337862834302324 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "model_record": { - "k_ij": 0.010688037264689 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0057311853252439 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0043909243129982 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0212724583644772 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.011574896910902 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 2.5136439062229548e-05 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0015596386625555 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0103892954347489 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0044435524853407 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -1.9298714943484847e-05 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0015801594338587 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "464-06-2", - "name": "2,2,3-trimethylbutane", - "iupac_name": "2,2,3-trimethylbutane", - "smiles": "CC(C)C(C)(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3" - }, - "model_record": { - "k_ij": 0.015031171820333 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0236152264997945 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0672748270595303 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0021086314773734 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -2.1351148752784795e-05 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0221153149464331 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0012433093575727 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "model_record": { - "k_ij": -0.0147007924089607 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0034687747813821 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0139540287634227 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": 0.1513183689599941 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": 0.0175921638829174 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0356838134186099 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0194149729496932 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0503872958390603 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0205125207133125 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0135777539478566 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0165844677867053 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0017037948296222 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0147749635644164 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.015825426260148 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0150838021380095 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "model_record": { - "k_ij": 0.0075265039064909 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0244359230668924 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.004959450153298 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0041801630767755 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0032764374793844 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0020259998576065 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0294977749454009 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0033159917700743 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0142524907963308 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0013447175266212 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0141105655786174 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": -0.0032032791854884 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0116992281667318 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0122759182146092 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "model_record": { - "k_ij": 0.0015836100880272 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.00672567362114 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": -0.0199772383369261 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0393111928955918 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0094489346116499 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0131182377587343 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0049848849643112 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0012800820477586 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0115501887806422 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "model_record": { - "k_ij": 0.0087163064578266 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0165445035319938 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 0.0007376361869123 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.018116772097042 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0016544729846073 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "model_record": { - "k_ij": -9.780855149434304e-05 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "model_record": { - "k_ij": -0.0271462027576383 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0109384960727454 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.0185151022065875 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0213633451697563 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0091822867096211 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.005320456197083 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0062398044365657 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "model_record": { - "k_ij": -0.0147917665476961 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "359-70-6", - "name": "perfluorotriethylamine", - "iupac_name": "1,1,2,2,2-pentafluoro-n,n-bis(1,1,2,2,2-pentafluoroethyl)ethanamine", - "smiles": "FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15" - }, - "model_record": { - "k_ij": 0.0704030033154042 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0014393482946882 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": -0.0244521823924892 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "model_record": { - "k_ij": 0.013097202885603 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "model_record": { - "k_ij": 0.0060609172736123 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": -0.0008417971207747 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0178048525477294 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0195815693217585 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.041946746696579 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "589-34-4", - "name": "3-methylhexane", - "iupac_name": "3-methylhexane", - "smiles": "CCCC(C)CC", - "inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0132185734943995 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0081635935412392 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0135283019616295 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0129842602582827 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": 0.0085454953268877 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "model_record": { - "k_ij": 0.0020111472340795 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "smiles": "C=C(C)CCC", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0068388463643163 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "691-37-2", - "name": "4-methyl-1-pentene", - "iupac_name": "4-methylpent-1-ene", - "smiles": "C=CCC(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0048512715025965 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "model_record": { - "k_ij": 0.0244549519698651 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "model_record": { - "k_ij": -0.0085168935123201 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0098841493359812 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "92-06-8", - "name": "m-terphenyl", - "iupac_name": "1,3-diphenylbenzene", - "smiles": "c1ccc(-c2cccc(-c3ccccc3)c2)cc1", - "inchi": "InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H" - }, - "model_record": { - "k_ij": 5.017312577949909e-05 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0179560306292922 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "k_ij": -0.0183089132744889 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.0289147827981009 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0016001978848222 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0036084530014053 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "model_record": { - "k_ij": 0.0678647744549665 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0066747398396286 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0031111908365186 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "920-66-1", - "name": "1,1,1,3,3,3-hexafluoro-2-propanol", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-ol", - "smiles": "OC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H" - }, - "model_record": { - "k_ij": 0.0308732562633146 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "model_record": { - "k_ij": 0.0240289190236136 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "model_record": { - "k_ij": 0.0076684383636277 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0042281163810015 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0270209658782798 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0071325760882618 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0042327576327291 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -1.4966895082800271e-05 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": -0.0064447588681308 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0214501251182561 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "model_record": { - "k_ij": 0.0049141000226176 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0105949976547672 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.028753736125657 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "79-43-6", - "name": "dichloroacetic acid", - "iupac_name": "2,2-dichloroacetic acid", - "smiles": "O=C(O)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" - }, - "model_record": { - "k_ij": -0.1582356710634737 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0084858313424467 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "98-06-6", - "name": "tert-butylbenzene", - "iupac_name": "tert-butylbenzene", - "smiles": "CC(C)(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": -0.0106392072504772 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "88-75-5", - "name": "o-nitrophenol", - "iupac_name": "2-nitrophenol", - "smiles": "O=[N+]([O-])c1ccccc1O", - "inchi": "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H" - }, - "model_record": { - "k_ij": -0.0131469778547574 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0020388232294459 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0036145056330541 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0003449607215006 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0339068902713829 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "100-60-7", - "name": "n-methylcyclohexylamine", - "iupac_name": "n-methylcyclohexanamine", - "smiles": "CNC1CCCCC1", - "inchi": "InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0058117477542958 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "model_record": { - "k_ij": 0.0064641388337019 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0043259628762732 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1107078866859121 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0243342549772054 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0118653502006622 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0214016068843836 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0228526358558003 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0805005543970194 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "model_record": { - "k_ij": -0.0019217634354151 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": 0.0648335528633867 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "smiles": "Fc1ccc(F)cc1", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "model_record": { - "k_ij": 0.0040201350780963 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "363-72-4", - "name": "pentafluorobenzene", - "iupac_name": "1,2,3,4,5-pentafluorobenzene", - "smiles": "Fc1cc(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" - }, - "model_record": { - "k_ij": 0.010336646305641 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0047256712654616 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "1076-43-3", - "name": "perdeuterobenzene", - "iupac_name": "1,2,3,4,5,6-hexadeuteriobenzene", - "smiles": "[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D" - }, - "model_record": {} - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0106250657223174 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0197564781740363 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0089361045990669 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0087821501285243 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "78-82-0", - "name": "isobutyronitrile", - "iupac_name": "2-methylpropanenitrile", - "smiles": "CC(C)C#N", - "inchi": "InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0363906633900889 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0339071300183457 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0088150561022724 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "model_record": { - "k_ij": -0.0575855244284272 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.0304500025077975 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0044162963547314 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "1638-26-2", - "name": "1,1-dimethylcyclopentane", - "iupac_name": "1,1-dimethylcyclopentane", - "smiles": "CC1(C)CCCC1", - "inchi": "InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0057375310366233 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0059617160798077 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0152690117579141 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "model_record": { - "k_ij": -0.0395156704900331 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "121-45-9", - "name": "trimethylphosphite", - "iupac_name": "trimethyl phosphite", - "smiles": "COP(OC)OC", - "inchi": "InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0045758193191005 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "106-73-0", - "name": "methyl heptanoate", - "iupac_name": "methyl heptanoate", - "smiles": "CCCCCCC(=O)OC", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0114523693543102 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "model_record": { - "k_ij": 0.0070847027140585 - } - }, - { - "id1": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "id2": { - "cas": "542-28-9", - "name": "tetrahydropyran-2-one", - "iupac_name": "oxan-2-one", - "smiles": "O=C1CCCCO1", - "inchi": "InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2" - }, - "model_record": { - "k_ij": -3.4264224641458693e-06 - } - }, - { - "id1": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0166727604392677 - } - }, - { - "id1": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.040405462788313 - } - }, - { - "id1": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "id2": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.0679596340976906 - } - }, - { - "id1": { - "cas": "74-90-8", - "name": "hydrogen cyanide", - "iupac_name": "formonitrile", - "smiles": "C#N", - "inchi": "InChI=1S/CHN/c1-2/h1H" - }, - "id2": { - "cas": "75-86-5", - "name": "2-hydroxy-2-methylpropionitrile", - "iupac_name": "2-hydroxy-2-methylpropanenitrile", - "smiles": "CC(C)(O)C#N", - "inchi": "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0602534995730354 - } - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0469232577989086 - } - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0034302284550964 - } - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "model_record": { - "k_ij": -0.0014352508733862 - } - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.009051453857831 - } - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0024309837984003 - } - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0291358479306963 - } - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": 0.0025048373518135 - } - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0007921391876845 - } - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0145232301895933 - } - }, - { - "id1": { - "cas": "127-91-3", - "name": ".beta.-pinene", - "iupac_name": "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CCC2CC1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "5989-54-8", - "name": "l-(-)-limonene", - "iupac_name": "(4s)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1" - }, - "model_record": { - "k_ij": 0.0046699002177564 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0136510555125523 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0065980598997869 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0057527836054629 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 2.6219632779285077e-05 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0353746854139222 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0151428076765135 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0301911030453185 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0074365692584424 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0026614529738424 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.003318970457491 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0131996952584482 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0101863251114434 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0042240972603615 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0053988352463373 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0044347065378119 - } - }, - { - "id1": { - "cas": "109-65-9", - "name": "butyl bromide", - "iupac_name": "1-bromobutane", - "smiles": "CCCCBr", - "inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0488282278441033 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0078754907596841 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0484160865514132 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0373009434344381 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0698486590794387 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0324485235379495 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0330091609496678 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0213332101351702 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0522815121014109 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0780128787481362 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0232729902336173 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0160102231944096 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0060298141728688 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0333251574211355 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0545839416592149 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "112-07-2", - "name": "2-butoxyethyl acetate", - "iupac_name": "2-butoxyethyl acetate", - "smiles": "CCCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0074117921346945 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.0623475821609461 - } - }, - { - "id1": { - "cas": "111-76-2", - "name": "2-butoxyethanol", - "iupac_name": "2-butoxyethanol", - "smiles": "CCCCOCCO", - "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0007113769453009 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0378812100619458 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0163794150955654 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0098582181142539 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0127931799918817 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.1470591311235305 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0322072612268256 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0384604931757974 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0033604119761465 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0281375986001716 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0466382688516001 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0105110385088849 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0883716062389407 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0228344297261727 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0724673961698448 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0152156107291428 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0251805261428206 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0023130782940065 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0202092604533299 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": -0.0045945775667428 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.012599273521145 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0067760719678008 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.009129669189051 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0112608621005989 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0375949047348418 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0291925401936932 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0224839616231855 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0225344529165474 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.023183915588594 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0200348847945331 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0149431510942316 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0486849410790486 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0450471018438889 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0260265072160657 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0530186277109578 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0440874186931058 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.026478509016872 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0217929971905947 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0337029028670682 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0013884156231987 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.021638580098823 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0275635992448511 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0282651720154461 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.00469425376068 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0491659634460818 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0765237033020082 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "k_ij": -0.0312051126857265 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "k_ij": 0.0189547739112123 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0109527072159012 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0105612070710542 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0064485771940373 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0262355421936621 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0240689322367081 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0168068805594415 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0047306111943199 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0451965525912367 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0027153934871108 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0287561202452864 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0836471820960651 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0075708409819373 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0242915903068261 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0410515896441149 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0054020602832928 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0309906284096175 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0739588105453372 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-92-2", - "name": "dibutylamine", - "iupac_name": "n-butylbutan-1-amine", - "smiles": "CCCCNCCCC", - "inchi": "InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0233555160895059 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0291012959040562 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0121414582229979 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0119338200043147 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0079670983764851 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0084733943039996 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0162645277798586 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0365925559898414 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0246735437892529 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0077195481911904 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.024569318398483 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0072199475035884 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0372867595716731 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.0095440617930622 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0207263370594833 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0382703467408305 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "17071-47-5", - "name": "butyl isobutyl ether", - "iupac_name": "1-(2-methylpropoxy)butane", - "smiles": "CCCCOCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0099690939906821 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0102947393238372 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0062830326511138 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0053504907091669 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "3452-09-3", - "name": "1-nonyne", - "iupac_name": "non-1-yne", - "smiles": "C#CCCCCCCC", - "inchi": "InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3" - }, - "model_record": { - "k_ij": 0.0112005948640471 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0094236566900218 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0067035179874689 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": 0.0133579407512452 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0144616277319217 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0091890587369615 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0249013575052281 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0108411495892824 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "95-57-8", - "name": "o-chlorophenol", - "iupac_name": "2-chlorophenol", - "smiles": "Oc1ccccc1Cl", - "inchi": "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H" - }, - "model_record": { - "k_ij": -0.0427748102189778 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "model_record": { - "k_ij": -0.0495313032172011 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "14850-23-8", - "name": "trans-4-octene", - "iupac_name": "(e)-oct-4-ene", - "smiles": "CCC/C=C/CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+" - }, - "model_record": { - "k_ij": 0.0227533389763547 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "model_record": { - "k_ij": 0.0306030061849659 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0143860870446537 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0352747754801304 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "7642-15-1", - "name": "cis-4-octene", - "iupac_name": "(z)-oct-4-ene", - "smiles": "CCC/C=C\\CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-" - }, - "model_record": { - "k_ij": 0.0309847820887972 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0086835156120693 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0525648646671074 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.1264335646129028 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0520095288462226 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0037262719762548 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": -0.0283555779536658 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0229714112542134 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0317959378334262 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0187504144567275 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0272684255898371 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-34-2", - "name": "butyl vinyl ether", - "iupac_name": "1-ethenoxybutane", - "smiles": "C=COCCCC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0012249882242667 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0102696179115213 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "model_record": { - "k_ij": 0.0125389478317728 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0020918098609864 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "29171-20-8", - "name": "3,7-dimethyl-6-octen-1-yn-3-ol", - "iupac_name": "3,7-dimethyloct-6-en-1-yn-3-ol", - "smiles": "C#CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3" - }, - "model_record": { - "k_ij": 0.0070364170887245 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0041793041402932 - } - }, - { - "id1": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0110332188154511 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "model_record": { - "k_ij": -0.0340367314664566 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0667673298844377 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0008769837631873 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0668831996360831 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.028190433266128 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "model_record": { - "k_ij": 0.0196249633586737 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0166573294779362 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": -0.0180515753621735 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "model_record": { - "k_ij": -0.0122461507139625 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0227797578593824 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0242952671639567 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0362578776283738 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0491766226434807 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0113739668848276 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0165676789572675 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0132274033362324 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0046395776265148 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0489590891908299 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0176724875077618 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0202496882742818 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0202892552391775 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0340412496564693 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0075720246018711 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0199821991283274 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": -0.0160963196329605 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0047189593834032 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0559156831962466 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0062529453961763 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0169962092650861 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0415935222674612 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.1151570128065095 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0310730732134585 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0009649827563885 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0647662144704411 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0360899834760945 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.001116087785994 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0080109276005731 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0132860913438255 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0036179597573272 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0121210784232026 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0039525383589771 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0151941195346433 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0143409024516513 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0307505806752608 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0100482932829626 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0426744376950326 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0131222924147871 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0072560695664411 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0237942552497479 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "k_ij": 0.0042132866907459 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0124165037320613 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0116114822795996 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0949316481113773 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.007821448483468 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": -0.0351579728799976 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.00500798015684 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0487328919178578 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0307384131286066 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0006612094696688 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0041053984047334 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0227188995434518 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": -0.0262995335588209 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0066642441429475 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0037695738853558 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.038772187535849 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": -0.0048342468718965 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0181229206315957 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0008153270230674 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": -0.0068899959960404 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0152773962697685 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0134755345119912 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0037526601662873 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0077758720380026 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0074504017896101 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0027122342474266 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": -0.0389861037989919 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0177787816847911 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0068903421892751 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0174744370762953 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "model_record": { - "k_ij": 0.0108807127226594 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0069927941960353 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0454060826307664 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0030006574386052 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "model_record": { - "k_ij": 0.0085776097446547 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "628-41-1", - "name": "1,4-cyclohexadiene", - "iupac_name": "cyclohexa-1,4-diene", - "smiles": "C1=CCC=CC1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2" - }, - "model_record": { - "k_ij": -0.0013934835024197 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.004718353395329 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0151421604123715 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0116276580120636 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0167172376391485 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.012701291311255 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" - }, - "model_record": { - "k_ij": 0.015416697049456 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0028797525249385 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0654262822422747 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0066476041946269 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0030413639262467 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0185807091681086 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0141348989298844 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.025082332699126 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "model_record": { - "k_ij": 0.0117084556524473 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "model_record": { - "k_ij": -0.0252786648180578 - } - }, - { - "id1": { - "cas": "78-93-3", - "name": "2-butanone", - "iupac_name": "butan-2-one", - "smiles": "CCC(C)=O", - "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0656504913403733 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0089144187230986 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0076955026768003 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0100879744360497 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0013229248409745 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0108546007130223 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0335533759385517 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0042081024541643 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0546446485565509 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0368495435714898 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.004337702685316 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0012520430609981 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0097754780572929 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0254669147965493 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0110456115606235 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0287908761577797 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "model_record": { - "k_ij": 0.008507926630914 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0112911516170553 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0109363264303797 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0503130898996222 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": 0.1689353465430099 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0100733695833046 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": 0.0141735482557836 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0027675921605206 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "model_record": { - "k_ij": 0.0780169582942434 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "model_record": { - "k_ij": 0.0805683837311644 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0195781354170539 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0121123013741973 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": -2.6040386715036483e-05 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0353800105570119 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0056042619263251 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0045276350401904 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0097145371722628 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0133384412109592 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0021359107857684 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0018317861736598 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0307935591605924 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0094083945828652 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0498181933762313 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.0021384537225655 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0031278563267562 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0029815758098816 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.031216772664588 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "smiles": "CCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "model_record": { - "k_ij": 0.0119525490108996 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0079956014521051 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0596548499178551 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0242867782311153 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0102540776980636 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "model_record": {} - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1395445019011246 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0077469207834565 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0126132774056243 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0009105426782138 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0322195503845549 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0524810062181687 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1225370502590625 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0166309767896578 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.1096527769636697 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0999792057357338 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0962895087220536 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0152556063112901 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": 0.0924105868807016 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0997915590878339 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0943548620177993 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-66-1", - "name": "2-methyl-2-propanethiol", - "iupac_name": "2-methylpropane-2-thiol", - "smiles": "CC(C)(C)S", - "inchi": "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0115110870379057 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.0825742686177546 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "540-63-6", - "name": "1,2-ethanedithiol", - "iupac_name": "ethane-1,2-dithiol", - "smiles": "SCCS", - "inchi": "InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0353473950053664 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0863910020178083 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0946811577626512 - } - }, - { - "id1": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": 0.0676911056764327 - } - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0013293305204652 - } - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0228546143200079 - } - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0125760306285232 - } - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.026662021221338 - } - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0035927396647064 - } - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0387256131410524 - } - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0007605817322908 - } - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "422-56-0", - "name": "1,1-dichloro-2,2,3,3,3-pentafluoropropane r225ca", - "iupac_name": "3,3-dichloro-1,1,1,2,2-pentafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 1.585803985877137e-05 - } - }, - { - "id1": { - "cas": "156-59-2", - "name": "cis-1,2-dichloroethylene", - "iupac_name": "(z)-1,2-dichloroethene", - "smiles": "Cl/C=C\\Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" - }, - "id2": { - "cas": "507-55-1", - "name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane r225cb", - "iupac_name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane", - "smiles": "FC(Cl)C(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H" - }, - "model_record": { - "k_ij": -0.0073655184220334 - } - }, - { - "id1": { - "cas": "107-07-3", - "name": "2-chloroethanol", - "iupac_name": "2-chloroethanol", - "smiles": "OCCCl", - "inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0005474076709886 - } - }, - { - "id1": { - "cas": "107-07-3", - "name": "2-chloroethanol", - "iupac_name": "2-chloroethanol", - "smiles": "OCCCl", - "inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0114211331661579 - } - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0089126574075556 - } - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0334824378276945 - } - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0055971643333541 - } - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0070021344419701 - } - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.004961298284325 - } - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0059570929978075 - } - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0003085215488445 - } - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0121047243138453 - } - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0060044155111414 - } - }, - { - "id1": { - "cas": "513-36-0", - "name": "1-chloro-2-methylpropane", - "iupac_name": "1-chloro-2-methylpropane", - "smiles": "CC(C)CCl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0067484422361139 - } - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0176794485507341 - } - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0032223700792698 - } - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0139671515498688 - } - }, - { - "id1": { - "cas": "96-29-7", - "name": "methyl ethyl ketoxime", - "iupac_name": "n-butan-2-ylidenehydroxylamine", - "smiles": "CCC(C)=NO", - "inchi": "InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0606289429678294 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0109214988275754 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "model_record": { - "k_ij": 0.0046678680922803 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0111096532022341 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0055004672595892 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.000297215589137 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0076507179950207 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0327149749424922 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0076461197829791 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0075722997262714 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0286955772271476 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0054042959432498 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0058239380971751 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0097370558405429 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": 0.0140583162841691 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0062379598115984 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0180933481429447 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.005727338452509 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0243352914134941 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -2.1511375068602083e-05 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.004751522342415 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.007495332819103 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0036975344771522 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0053120009569861 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 2.048850076573226e-05 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": -2.2858795293521404e-05 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0015315837594946 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "k_ij": 0.0016201933825609 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0006596553069004 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0003072332471867 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0019624584852522 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0070076216175567 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0016738344300377 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.00582680020427 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0045818958619641 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0120554323562997 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "model_record": { - "k_ij": 0.0031741428192569 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0051039398977638 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0025028550501267 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "628-41-1", - "name": "1,4-cyclohexadiene", - "iupac_name": "cyclohexa-1,4-diene", - "smiles": "C1=CCC=CC1", - "inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2" - }, - "model_record": { - "k_ij": -0.0015545213132183 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -1.9704672093998022e-05 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0369722178589048 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0217359494222538 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "93-55-0", - "name": "ethyl phenyl ketone", - "iupac_name": "1-phenylpropan-1-one", - "smiles": "CCC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0014978550661916 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.002276065795933 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "model_record": { - "k_ij": 0.0033657223268648 - } - }, - { - "id1": { - "cas": "109-69-3", - "name": "butyl chloride", - "iupac_name": "1-chlorobutane", - "smiles": "CCCCCl", - "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" - }, - "id2": { - "cas": "592-50-7", - "name": "1-fluoropentane", - "iupac_name": "1-fluoropentane", - "smiles": "CCCCCF", - "inchi": "InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0037347637999244 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0192626207721303 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0167101812742878 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0261204517685393 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0125124422254205 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.073776208545354 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0103704649523944 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0010507341502198 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0015794167647461 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0208358398660579 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0158640105307959 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0469520595307849 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0329990155755972 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0322329202456456 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0163211564276041 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": -0.0284030210110537 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0107447786768689 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0121002018826938 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.002581996393741 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0472882353690923 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.0074067892893936 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "model_record": { - "k_ij": -0.0648606566216605 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0087744829209237 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0448521969434661 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.0525832192937402 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0035459560331647 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.045368590355937 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0196606081964662 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0836122067069448 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0084931458790336 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0663646684310962 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0138120520630742 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.061693486517805 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0132473665914647 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0207300179449326 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0027355015173914 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0115083889502818 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0708093521744513 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.035817450591388 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "k_ij": -0.0566257050456149 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0558693639806893 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0451386549351483 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0942227584049278 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.05037178334957 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -7.379371420661247e-05 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0030850610065968 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0023647510586906 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "628-32-0", - "name": "ethyl propyl ether", - "iupac_name": "1-ethoxypropane", - "smiles": "CCCOCC", - "inchi": "InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0387632941609256 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0280003386795385 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0346805486028305 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0135928401295542 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "model_record": { - "k_ij": -0.0397639596318091 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": -0.0320622997534655 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0410388469274225 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "624-89-5", - "name": "ethyl methyl sulfide", - "iupac_name": "methylsulfanylethane", - "smiles": "CCSC", - "inchi": "InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0316563673086073 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0340132025151041 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0192583564200272 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0337306481422452 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "model_record": { - "k_ij": 0.0738031154471178 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "79-43-6", - "name": "dichloroacetic acid", - "iupac_name": "2,2-dichloroacetic acid", - "smiles": "O=C(O)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0459206825887669 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "149-57-5", - "name": "2-ethyl hexanoic acid", - "iupac_name": "2-ethylhexanoic acid", - "smiles": "CCCCC(CC)C(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" - }, - "model_record": { - "k_ij": -0.0038670294571665 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0519669003763849 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-03-9", - "name": "trichloroacetic acid", - "iupac_name": "2,2,2-trichloroacetic acid", - "smiles": "O=C(O)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "model_record": { - "k_ij": -0.0085991600910149 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0128600480584222 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0585571314919586 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-87-6", - "name": "2,2,2-trichloroacetaldehyde", - "iupac_name": "2,2,2-trichloroacetaldehyde", - "smiles": "O=CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" - }, - "model_record": { - "k_ij": 0.0034255811489871 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0732036552668614 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.019623983755151 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": 0.060284897966159 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0381223200675958 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0625985355702915 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0352282566939002 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.0547379392018181 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "model_record": { - "k_ij": -0.0498217828988903 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "93-55-0", - "name": "ethyl phenyl ketone", - "iupac_name": "1-phenylpropan-1-one", - "smiles": "CCC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0214678363055259 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0511741514661061 - } - }, - { - "id1": { - "cas": "67-66-3", - "name": "chloroform", - "iupac_name": "chloroform", - "smiles": "ClC(Cl)Cl", - "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0059417571033027 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "model_record": { - "k_ij": 0.0390312842159332 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0306472587119244 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0095928468732642 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0809954861015663 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0359213482465143 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "model_record": { - "k_ij": -0.0283180703939905 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0559145536916721 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.1496810762492669 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "model_record": { - "k_ij": 0.0291940362208685 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0308505304678796 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "model_record": { - "k_ij": 0.02835050557862 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0148887587700292 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.1415023418625693 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0177983910273731 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 0.0319099389017397 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.1117398611465585 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0307995467503903 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0145371168869864 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0132171915050926 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.04571100497063 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.073796879670892 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0160633347321703 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.007896491931907 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0221284590023265 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0176720693406854 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0070766020952684 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.022339808394408 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "smiles": "Oc1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "model_record": { - "k_ij": 0.0184042551891093 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": 0.0179206973302721 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0322841579909781 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": -0.0324975106549723 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.1634898742317577 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0205366387584722 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0871083344167438 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": -0.0054596498570839 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0377610401779548 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-44-1", - "name": "m-methylaniline", - "iupac_name": "3-methylaniline", - "smiles": "Cc1cccc(N)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": -0.0105125135416358 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0005239107606816 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0179792422895424 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "model_record": { - "k_ij": -0.0980311710693647 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0749468843894804 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0636835214709826 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0006556936709872 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-49-0", - "name": "p-methylaniline", - "iupac_name": "4-methylaniline", - "smiles": "Cc1ccc(N)cc1", - "inchi": "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": -0.0142067051457785 - } - }, - { - "id1": { - "cas": "108-39-4", - "name": "3-methylphenol", - "iupac_name": "3-methylphenol", - "smiles": "Cc1cccc(O)c1", - "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "110-97-4", - "name": "diisopropanolamine (dipa)", - "iupac_name": "1-(2-hydroxypropylamino)propan-2-ol", - "smiles": "CC(O)CNCC(C)O", - "inchi": "InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0292198348669164 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -1.4215440563414936e-05 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "model_record": { - "k_ij": 0.0033203073565683 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0016422294059074 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0013066809991744 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0009670607891343 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0117721552944494 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0758507145608155 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0380301940347935 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.024599511400803 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0297795200547551 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0509915937800042 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0014410967887732 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0514507633650924 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "model_record": { - "k_ij": 0.0201612647077374 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0005397386019384 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "model_record": { - "k_ij": 0.02779454824568 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0273561435337894 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0692747860834255 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0561494203425818 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": 0.0451387965680454 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0019535025738432 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0022488660373794 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0597024061060534 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0057088946355162 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": -0.0008337857602619 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.0185095714396834 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0034220606615782 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0781689242794473 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0458482352411277 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0487932067928583 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0235827355372008 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0256115507270829 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "model_record": { - "k_ij": 0.0155000568634714 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0289563730367993 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0005461730634538 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": -0.00135252278274 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.004852829822034 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0189027166831885 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0431496484673323 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.056611675222237 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0324249613758087 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0048256800893255 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0519730178315774 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0013783550328591 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0112573533347941 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0038915282689831 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0305100138181012 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0208711391759777 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0130974886828702 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0068496293779651 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0049520640594903 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0103219184462771 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0581855027047436 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.1630351678090456 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0143780354791822 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0134464104686748 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0338097324435473 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0110916755698469 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0248539308886965 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0223522605478605 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0305199621604719 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0177912800263606 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0291716547924289 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": 0.0189693424311752 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "model_record": { - "k_ij": -0.0343891877755315 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.08038559595302 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0108720822802695 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0152901613756537 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0750660492362539 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0210484938486205 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0137129041057826 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0366756030622035 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0158181102774866 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0703850956391081 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "model_record": { - "k_ij": 0.1020800368781226 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0170967318640323 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "model_record": { - "k_ij": 0.0153254040866156 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0076992610248085 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0259142687435818 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0320463145967199 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0322865953707178 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0214802252259333 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "model_record": { - "k_ij": 0.0175995091550635 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0446806672818132 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "smiles": "Cc1cc(C)cc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "model_record": { - "k_ij": 0.0382381360427712 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0782420039333781 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0230633761585627 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0194633238924243 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0331618986239354 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0286319750217754 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.017546082055318 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0138333179693719 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0516834287803978 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0024181093613591 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": 0.0046558996840382 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0285601636873008 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0361011547062905 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "model_record": { - "k_ij": 0.0174104014363877 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "model_record": { - "k_ij": 0.0059824847905597 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0178884316720428 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": 0.0139611442274434 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0115389918933423 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0098471690885791 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0041582230210908 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0068544896071343 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0007743676321861 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 0.0165353354368554 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0240105666819417 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0345377706863762 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0614382680669523 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "model_record": { - "k_ij": -1.975042326026727e-05 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.0013635572540515 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "97-88-1", - "name": "methacrylic acid, butyl ester", - "iupac_name": "butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCCC", - "inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0161096517802733 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0055240669148706 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0476591206747092 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0135598708873728 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0125776577146057 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0301495571184281 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0645511174786403 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "model_record": { - "k_ij": 0.0239805231548059 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0166681729498084 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0702858298675427 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0256216823474942 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0183787042655303 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0028137597890149 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "99-99-0", - "name": "p-nitrotoluene", - "iupac_name": "1-methyl-4-nitrobenzene", - "smiles": "Cc1ccc([N+](=O)[O-])cc1", - "inchi": "InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3" - }, - "model_record": { - "k_ij": 0.0141681754449102 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "model_record": { - "k_ij": -0.0091261221323685 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0042725100937509 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": -2.356317617182988e-05 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.004026054029628 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": 0.0215398695894064 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0187179478718251 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0128224986046711 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0050566666138794 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "597-49-9", - "name": "3-ethyl-3-pentanol", - "iupac_name": "3-ethylpentan-3-ol", - "smiles": "CCC(O)(CC)CC", - "inchi": "InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0256671637731333 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0338341372354211 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": 0.0307730106396939 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0105865106533395 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "589-43-5", - "name": "2,4-dimethylhexane", - "iupac_name": "2,4-dimethylhexane", - "smiles": "CCC(C)CC(C)C", - "inchi": "InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3" - }, - "model_record": { - "k_ij": -0.014274776839572 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0135771244013407 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0001395433774812 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0008847250393994 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0414770323745214 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0091567489890818 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "100-40-3", - "name": "4-ethenylcyclohexene", - "iupac_name": "4-ethenylcyclohexene", - "smiles": "C=CC1CC=CCC1", - "inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2" - }, - "model_record": { - "k_ij": 0.0119771374746202 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0104784057524832 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0084552298577052 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "151-56-4", - "name": "ethylenimine", - "iupac_name": "aziridine", - "smiles": "C1CN1", - "inchi": "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0330590826157494 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "100-60-7", - "name": "n-methylcyclohexylamine", - "iupac_name": "n-methylcyclohexanamine", - "smiles": "CNC1CCCCC1", - "inchi": "InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0154920923446562 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "model_record": { - "k_ij": -0.0084047364912975 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0176354049784644 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1554643701791634 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0337757777359546 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.01983313116728 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.1015189195365632 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "590-35-2", - "name": "2,2-dimethylpentane", - "iupac_name": "2,2-dimethylpentane", - "smiles": "CCCC(C)(C)C", - "inchi": "InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0031832957409719 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "589-53-7", - "name": "4-methylheptane", - "iupac_name": "4-methylheptane", - "smiles": "CCCC(C)CCC", - "inchi": "InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 1.0798577233123768e-05 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "model_record": { - "k_ij": 0.0301171861619021 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "4390-04-9", - "name": "2,2,4,4,6,8,8-heptamethylnonane", - "iupac_name": "2,2,4,4,6,8,8-heptamethylnonane", - "smiles": "CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3" - }, - "model_record": { - "k_ij": -0.0044981949450537 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0275147966168234 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0147890109272374 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0189378136530232 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0145522095219793 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "75-98-9", - "name": "pivalic acid", - "iupac_name": "2,2-dimethylpropanoic acid", - "smiles": "CC(C)(C)C(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)" - }, - "model_record": { - "k_ij": 0.0346267480731115 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "88-73-3", - "name": "2-chloronitrobenzene", - "iupac_name": "1-chloro-2-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1Cl", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" - }, - "model_record": { - "k_ij": 7.040258658980743e-05 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0413135264047751 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0039427867407735 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.015775399747878 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0170710629585492 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0422929863401769 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-27-4", - "name": "isoamyl butyrate", - "iupac_name": "3-methylbutyl butanoate", - "smiles": "CCCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0106118434075703 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0154754228452432 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0126737039056068 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "110-18-9", - "name": "n,n,n',n'-tetramethyl ethylenediamine", - "iupac_name": "n,n,n',n'-tetramethylethane-1,2-diamine", - "smiles": "CN(C)CCN(C)C", - "inchi": "InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0101080385719727 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "106-58-1", - "name": "1,4-dimethyl piperazine", - "iupac_name": "1,4-dimethylpiperazine", - "smiles": "CN1CCN(C)CC1", - "inchi": "InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0107302411838322 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "4351-54-6", - "name": "cyclohexyl formate", - "iupac_name": "cyclohexyl formate", - "smiles": "O=COC1CCCCC1", - "inchi": "InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0175055574358358 - } - }, - { - "id1": { - "cas": "110-82-7", - "name": "cyclohexane", - "iupac_name": "cyclohexane", - "smiles": "C1CCCCC1", - "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" - }, - "id2": { - "cas": "104-78-9", - "name": "n,n-diethyl-1,3-diaminopropane", - "iupac_name": "n',n'-diethylpropane-1,3-diamine", - "smiles": "CCN(CC)CCCN", - "inchi": "InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0057488285983339 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "model_record": { - "k_ij": 0.0066405385663316 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0326356125259393 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0163420013516827 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0249592775145353 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0453470523905226 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.0055807466602863 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0012597586021197 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0394685238301979 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0075840967862988 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "model_record": { - "k_ij": 0.0049822618137254 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0016865421088611 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0158585880997662 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0058587416141674 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0076412460984087 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0165037706405672 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.029159964138127 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0037814762922737 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0343148736851265 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "model_record": { - "k_ij": 0.0068668665754969 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "model_record": { - "k_ij": 0.0062731451033128 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0026532658726766 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0002990577482681 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0294071692082114 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0577198942820771 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "model_record": { - "k_ij": 0.0007119583677121 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.001701709776137 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "model_record": { - "k_ij": -0.013645727834786 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0106307826077634 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": 0.0037278335792773 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0466685244412333 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "679-86-7", - "name": "1,1,2,2,3-pentafluoropropane [r245ca]", - "iupac_name": "1,1,2,2,3-pentafluoropropane", - "smiles": "FCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H3F5/c4-1-3(7,8)2(5)6/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0937812029297747 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0536240235909622 - } - }, - { - "id1": { - "cas": "287-92-3", - "name": "cyclopentane", - "iupac_name": "cyclopentane", - "smiles": "C1CCCC1", - "inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0736735016467955 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0225003022942939 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0024866958521098 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0752998509480019 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0398684073721453 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0411442765912617 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0219792274304638 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0037306071994294 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -8.092876022741221e-06 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0186684616900505 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0112903905418739 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0123091105405644 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0167987373946383 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": 0.2432205625995088 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0144281238738398 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0066306271948178 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": -0.0088769817350982 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0283687397221861 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": -0.0040585214733979 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "model_record": { - "k_ij": 0.0129778614632422 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0277291270207532 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1405670577092102 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "smiles": "Fc1ccc(F)cc1", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "model_record": { - "k_ij": 0.0285151522806886 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0018948905361564 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0347960392818317 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0239409567233061 - } - }, - { - "id1": { - "cas": "110-83-8", - "name": "cyclohexene", - "iupac_name": "cyclohexene", - "smiles": "C1=CCCCC1", - "inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" - }, - "id2": { - "cas": "4351-54-6", - "name": "cyclohexyl formate", - "iupac_name": "cyclohexyl formate", - "smiles": "O=COC1CCCCC1", - "inchi": "InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0082771504728145 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0054297148322951 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0449276951710557 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0127802701805598 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0882185321430595 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0341637616963247 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0198563249207866 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0038730385824906 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0472007154212181 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0265627613352732 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": 0.0468790502653792 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0023131699873062 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0011709024798992 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0654781107372587 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0054771631291878 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": -0.0019189907012902 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0857278759849981 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0005586189206866 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0396678663745617 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0536903935885825 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0229121882731814 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0339680305423028 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0049938627492123 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0546229236034205 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0069702877686933 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0551029240140455 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0362522850789363 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0071717368479194 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0184036827863538 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0107183381858518 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0068702595974 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0071355118245741 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0394183694133565 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0216275494299743 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0161598482908491 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.039053728584358 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": 0.009353716574828 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0155627172569131 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0385696070948704 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "model_record": { - "k_ij": 0.1055591599877241 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0419856746964994 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0214562673996154 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.017328302119835 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0186541043241316 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0484040922060247 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": 0.0027694234982488 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0080174084294068 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "583-59-5", - "name": "2-methylcyclohexanol ", - "iupac_name": "2-methylcyclohexan-1-ol", - "smiles": "CC1CCCCC1O", - "inchi": "InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0221790779538762 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 0.0068073903273296 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.063061105802602 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0059669211340464 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0067906356808945 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0069382459181955 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0027757014019977 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "model_record": { - "k_ij": 0.0792630837317142 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0178427610848613 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0104863546509302 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0096828690370898 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1775598070341615 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0293073178649632 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0234413903155925 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0390806325918394 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0206907792957737 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0065146740927207 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0155150319615957 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0144116258999027 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0428593712249864 - } - }, - { - "id1": { - "cas": "108-87-2", - "name": "methylcyclohexane", - "iupac_name": "methylcyclohexane", - "smiles": "CC1CCCCC1", - "inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "model_record": { - "k_ij": -0.0137851527625226 - } - }, - { - "id1": { - "cas": "583-60-8", - "name": "2-methylcyclohexanone", - "iupac_name": "2-methylcyclohexan-1-one", - "smiles": "CC1CCCCC1=O", - "inchi": "InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0101842097029317 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.003487017360761 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -2.295429184544279e-05 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0704920819111242 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0528728043212618 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.00216858780943 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0041741724126501 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.010627216249494 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0235555146249502 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0152535107187953 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0073621652278547 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0081597193204932 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1617697181720219 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0122958866219943 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0145113720047821 - } - }, - { - "id1": { - "cas": "96-37-7", - "name": "methylcyclopentane", - "iupac_name": "methylcyclopentane", - "smiles": "CC1CCCC1", - "inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0120011817468506 - } - }, - { - "id1": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0415284310725489 - } - }, - { - "id1": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0365615476945335 - } - }, - { - "id1": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "id2": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "model_record": { - "k_ij": 0.0214794567095304 - } - }, - { - "id1": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "id2": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "model_record": { - "k_ij": 0.0077034054236299 - } - }, - { - "id1": { - "cas": "111-44-4", - "name": "bis(2-chloroethyl) ether", - "iupac_name": "1-chloro-2-(2-chloroethoxy)ethane", - "smiles": "ClCCOCCCl", - "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" - }, - "id2": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "model_record": { - "k_ij": 0.018168439010789 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0030265361009743 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0096878963533508 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": 0.0117556563867978 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0023263311950567 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0059398492594191 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0088453362387053 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0442687733193657 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0003070495705652 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0077251355814878 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.0004299768995908 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0224283238121992 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0136465811426832 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0142409412693576 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0078679259163634 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0024002454627465 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0062768489449537 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0294915877596524 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0417477956702565 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0076965314829722 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0121214528337526 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0081493376558299 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0068809582653308 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0049711073343668 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0138093752129779 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0011860639557434 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0011773624376217 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0036389202012161 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.018449941655265 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "97-88-1", - "name": "methacrylic acid, butyl ester", - "iupac_name": "butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCCC", - "inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0020735867427593 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0008805976887564 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0033135181040944 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "model_record": { - "k_ij": -0.0032176265290299 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0017681129914423 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1132361530819228 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0072045444976674 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0042779798682875 - } - }, - { - "id1": { - "cas": "142-96-1", - "name": "dibutyl ether", - "iupac_name": "1-butoxybutane", - "smiles": "CCCCOCCCC", - "inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "97-85-8", - "name": "isobutyl isobutyrate", - "iupac_name": "2-methylpropyl 2-methylpropanoate", - "smiles": "CC(C)COC(=O)C(C)C", - "inchi": "InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0055660210720046 - } - }, - { - "id1": { - "cas": "110-45-2", - "name": "isoamyl formate", - "iupac_name": "3-methylbutyl formate", - "smiles": "CC(C)CCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0146150481435296 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0230691538662458 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0140868314776027 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "model_record": { - "k_ij": 0.013796023869724 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0011863523373882 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0230766414578794 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0601528697580625 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.039402093715162 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": 0.0455747743876134 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0009484555793026 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0216036439450208 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0563135919466699 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "model_record": { - "k_ij": -0.0280771683638107 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "model_record": { - "k_ij": 0.0064060878013946 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0440662252395582 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0032631367272779 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0260168613639708 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0345261781334063 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0084253335053548 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0163583059370257 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0345151728867554 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0400413541583078 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0130175015701405 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0042793688434353 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0441542498272807 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "model_record": { - "k_ij": 0.0057666737583384 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": -0.001557154221336 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0017452427362347 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0083436538397395 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0450585410013378 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.3740833141221669 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.001059495269686 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0037375579979352 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0408079567401165 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0068210881826342 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.034873246982924 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "model_record": { - "k_ij": 0.0107053166076847 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0173862117194807 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0296303459343917 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0880981457954883 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0003265489952964 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0336989315410814 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0023603977009622 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0306734410731504 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.0078957715889364 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0059592227680634 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "model_record": { - "k_ij": 0.0050307994235512 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "624-22-6", - "name": "2-methyl-1-hexanol", - "iupac_name": "2-methylhexan-1-ol", - "smiles": "CCCCC(C)CO", - "inchi": "InChI=1S/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.1078726928583801 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0101490148252015 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.038043352303464 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": 0.0128770813404389 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.027324780946995 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0824096174842526 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0320817392094378 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0020393103995674 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0027139007950349 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0023070715696151 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": 0.0030856492838767 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0338125771226372 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0297169855457981 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0174683344742372 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": 0.014260895627806 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0155535314168821 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0033328107647952 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.005388879188164 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0331108580885635 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.00605698464427 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0292658283238344 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1416723210807366 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0194802911602531 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0197522420859983 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.097587593984114 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1611278695349843 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0169371858289377 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "625-50-3", - "name": "n-ethylacetamide", - "iupac_name": "n-ethylacetamide", - "smiles": "CCN=C(C)O", - "inchi": "InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.02070819640323 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.1188165226438956 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0065919105968055 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "638-02-8", - "name": "2,5-dimethyl thiophene", - "iupac_name": "2,5-dimethylthiophene", - "smiles": "Cc1ccc(C)s1", - "inchi": "InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0057001054257475 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "smiles": "c1ccc2[nH]ccc2c1", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "model_record": { - "k_ij": -0.066844471697896 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0390894005987635 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "131-11-3", - "name": "phthalic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,2-dicarboxylate", - "smiles": "COC(=O)c1ccccc1C(=O)OC", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0027437164642236 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "872-55-9", - "name": "2-ethylthiophene", - "iupac_name": "2-ethylthiophene", - "smiles": "CCc1cccs1", - "inchi": "InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0244067813626182 - } - }, - { - "id1": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "14073-97-3", - "name": "(-)-menthone", - "iupac_name": "(2s,5r)-5-methyl-2-propan-2-ylcyclohexan-1-one", - "smiles": "CC(C)[C@@H]1CC[C@@H](C)CC1=O", - "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1" - }, - "model_record": { - "k_ij": 0.0145998175859041 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0049274788520576 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0351404842088471 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0094025606053531 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0106571768910024 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0022695069197659 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.3048012200157142 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0140781471148177 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0054948110157911 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0026842097361265 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": 0.1020641299085857 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0377314419878878 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "model_record": { - "k_ij": -0.0294315832074948 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0056811194534186 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0163081293200125 - } - }, - { - "id1": { - "cas": "109-89-7", - "name": "n,n-diethylamine", - "iupac_name": "n-ethylethanamine", - "smiles": "CCNCC", - "inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0420285856496796 - } - }, - { - "id1": { - "cas": "431-03-8", - "name": "2,3-butanedione", - "iupac_name": "butane-2,3-dione", - "smiles": "CC(=O)C(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0289666681597543 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0084569525128302 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0022787820896398 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0323015178179443 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0141141219668055 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0086464836343718 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0013308256921328 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0785005458668054 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0041064099855105 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": -0.0155140466328036 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.012198080073502 - } - }, - { - "id1": { - "cas": "121-69-7", - "name": "n,n-dimethylaniline", - "iupac_name": "n,n-dimethylaniline", - "smiles": "CN(C)c1ccccc1", - "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.1355165213151404 - } - }, - { - "id1": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0030507973161371 - } - }, - { - "id1": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0047036930197689 - } - }, - { - "id1": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0051083683911764 - } - }, - { - "id1": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0041599282074057 - } - }, - { - "id1": { - "cas": "75-34-3", - "name": "1,1-dichloroethane [r150a]", - "iupac_name": "1,1-dichloroethane", - "smiles": "CC(Cl)Cl", - "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0261441444809413 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0057886750765362 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0368405450646093 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0197984468140936 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0032955384049618 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0275335365733955 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": -0.0035678390569157 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0276661461555707 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0275947270154897 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0067636817811525 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0305440380329947 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0062637256815942 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0109147568979549 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0090743127483542 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0128331510293176 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.025724242464349 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0044471656581094 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.01637159517687 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0003391303367136 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0165286365258558 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0134529834701629 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0360080730026752 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0152958919903265 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0195662659239085 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.020048376097801 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0025236220782654 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0043702361104312 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0245908476271602 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0124959166517344 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0132331823106844 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0514906668704216 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0046911167851215 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0018429597128972 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0140116945837905 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0032890584338427 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0029591591223674 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0002112863406426 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0317613241529047 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0404503111241145 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0742322443770339 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0064519201903294 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "k_ij": -0.0203943350676565 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0143846071772722 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0331387119397085 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0131253996524974 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0140841251785774 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0005778259838116 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": -0.0366414925387733 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0046989736340598 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "model_record": { - "k_ij": -0.0123796451691325 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": -0.01670693243797 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "model_record": { - "k_ij": 0.0206334031836798 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0033948262928338 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0327662223311614 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0124284024741593 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.024273817812442 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0160047323604926 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0156339149593161 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0483871753062974 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0126034792975508 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.0277057769917712 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -7.731642507178506e-06 - } - }, - { - "id1": { - "cas": "107-06-2", - "name": "1,2-dichloroethane", - "iupac_name": "1,2-dichloroethane", - "smiles": "ClCCCl", - "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" - }, - "id2": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.0269374415578467 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.017465032301729 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0072972128156736 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0163937002668593 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0260733563699558 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0301550444279435 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0083183729079601 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0030354520441752 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0041745126367512 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.003714111911898 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": -0.0010675127136595 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0286090449249887 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "model_record": { - "k_ij": -0.0018388091427298 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "422-56-0", - "name": "1,1-dichloro-2,2,3,3,3-pentafluoropropane r225ca", - "iupac_name": "3,3-dichloro-1,1,1,2,2-pentafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0169840758559013 - } - }, - { - "id1": { - "cas": "156-60-5", - "name": "trans-1,2-dichloroethene", - "iupac_name": "(e)-1,2-dichloroethene", - "smiles": "Cl/C=C/Cl", - "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" - }, - "id2": { - "cas": "507-55-1", - "name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane r225cb", - "iupac_name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane", - "smiles": "FC(Cl)C(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0147586890240732 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0182013480001438 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0382877634342971 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0244288479303162 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0184447955131933 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": -0.0078365502252553 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0254238251998008 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0031555010974623 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0346118591327173 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "model_record": { - "k_ij": 0.0109136134998591 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0121036573094954 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0137933162542762 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0117934830135037 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0109569098689669 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0269030154230127 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0071244111550728 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0022233275796324 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0159372014156553 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0388349853983763 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0413307808281143 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0206780904222678 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0360381287662993 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0036430390343075 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0186694320432983 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.036274186793409 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0030512786320542 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0117812845443025 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0027757806422926 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0042960667660179 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0240998835900379 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0393315554952944 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0244182361906761 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0415827311454731 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0539731908889128 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0027875478168568 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0071038973392675 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0115554384010456 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0060696803388577 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "model_record": {} - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.000728628234549 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0225365648393314 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.013829728683426 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.015805475506564 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0124246304511352 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0295959867718358 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0495064209967989 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0775028037054695 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0141924762889013 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0193123590277055 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0455440772587734 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.011604342559218 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0557822475034591 - } - }, - { - "id1": { - "cas": "75-09-2", - "name": "dichloromethane", - "iupac_name": "dichloromethane", - "smiles": "ClCCl", - "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.0307811461112856 - } - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.02118853900959 - } - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0044975087122817 - } - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0083686939644584 - } - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0100282349455985 - } - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0027373138898634 - } - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.0052632084136106 - } - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.001175911474848 - } - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0189175310718854 - } - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "557-98-2", - "name": "2-chloropropylene", - "iupac_name": "2-chloroprop-1-ene", - "smiles": "C=C(C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "model_record": { - "k_ij": 0.0064558703745164 - } - }, - { - "id1": { - "cas": "78-87-5", - "name": "1,2-dichloropropane", - "iupac_name": "1,2-dichloropropane", - "smiles": "CC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "10061-01-5", - "name": "cis-1,3-dichloro-1-propene", - "iupac_name": "(z)-1,3-dichloroprop-1-ene", - "smiles": "Cl/C=C\\CCl", - "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-" - }, - "model_record": { - "k_ij": 0.0008251397236372 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0243205924833981 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "model_record": { - "k_ij": -0.0103958178758239 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.021625785603211 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.1618376467539025 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0109804943455799 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0109171375729915 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0083946245268816 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0828570325392455 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0210073920838077 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": -0.0191895190287548 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "model_record": { - "k_ij": -0.0029308537627068 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "model_record": { - "k_ij": -0.0205201640560529 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0956336131662098 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "model_record": { - "k_ij": -0.0089545746563523 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0245697652205619 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0176471777022487 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0680811328206961 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.1004619497706277 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0122879860823583 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0884479623113617 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.090934507345934 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0067799281546883 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": -0.028764348931192 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": 0.0002785167594718 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0655421379107718 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0167685450800723 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.002467575828871 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.022535353824977 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0069238627304212 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0135772654908789 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0103047350066119 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0333733621430198 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0094532645304003 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0115366332602718 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0102905329397241 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0261160988540281 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0070624395045376 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0269812150530069 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.003733400395678 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.100044327617672 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0151837537790006 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": -0.0042699126637416 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0042503252018505 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "model_record": { - "k_ij": -0.004366697462422 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0156101791047073 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0088617393266676 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0595732343456258 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": -0.0149311731154579 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0012620643137564 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0055900394523424 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": -0.092893899215939 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0062592040337952 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "model_record": { - "k_ij": -0.0180657790673445 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0327022727661594 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "model_record": { - "k_ij": -0.0725531853803638 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0099930842974234 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0477334915903262 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0236765419047552 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0662303021668847 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0092162112156382 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": -0.0068158489802291 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0138060551707546 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0164474405556805 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": -0.0032694472179578 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "model_record": { - "k_ij": -0.053433200324933 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "589-34-4", - "name": "3-methylhexane", - "iupac_name": "3-methylhexane", - "smiles": "CCCC(C)CC", - "inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0025191892267124 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0038370068832874 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "model_record": { - "k_ij": -0.0334459994176412 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": -0.041464112720923 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.032020234783966 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "model_record": { - "k_ij": -0.033767269226026 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0847710675173588 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0121927354651363 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.1376393078524872 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "1574-41-0", - "name": "cis-1,3-pentadiene", - "iupac_name": "(3z)-penta-1,3-diene", - "smiles": "C=C/C=C\\C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-" - }, - "model_record": { - "k_ij": -0.017023153898473 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0093152540156028 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0423832554119429 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0024701841116571 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0203934798774216 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0185277206821291 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.021585297689824 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "1638-26-2", - "name": "1,1-dimethylcyclopentane", - "iupac_name": "1,1-dimethylcyclopentane", - "smiles": "CC1(C)CCCC1", - "inchi": "InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0074353772662357 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0488028953663398 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0508872300085268 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.1363004144456004 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "573-98-8", - "name": "1,2-dimethyl naphthalene", - "iupac_name": "1,2-dimethylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1C", - "inchi": "InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": -0.0033031946280629 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0189560709792308 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0395851485047386 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "model_record": { - "k_ij": -0.0449636340721898 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "463-49-0", - "name": "propadiene", - "iupac_name": "propa-1,2-diene", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0295118773813458 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0516450614008389 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0235073617003314 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": -0.1516704652465448 - } - }, - { - "id1": { - "cas": "68-12-2", - "name": "n,n-dimethylformamide (dmf)", - "iupac_name": "n,n-dimethylformamide", - "smiles": "CN(C)C=O", - "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": -0.1102524418956121 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0438811848513595 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0403448918474493 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0028401866669994 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0240117166338812 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0577218785923133 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.0147095913151704 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0522697979414323 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0586261024572661 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0239632077364558 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.006480133995263 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0006610919056036 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0015532282260159 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0005087048774314 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0206819256844104 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0139533960712424 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0220359373967391 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "model_record": { - "k_ij": 0.0459188551386024 - } - }, - { - "id1": { - "cas": "109-87-5", - "name": "dimethoxymethane", - "iupac_name": "dimethoxymethane", - "smiles": "COCOC", - "inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" - }, - "id2": { - "cas": "13353-03-2", - "name": "trimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxy)methane", - "smiles": "COCOCOCOC", - "inchi": "InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0035658357254278 - } - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0016370941086121 - } - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.006722293839618 - } - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0038243294024205 - } - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0446867899586204 - } - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0022574408358774 - } - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0175597582509982 - } - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0516470047303223 - } - }, - { - "id1": { - "cas": "108-08-7", - "name": "2,4-dimethylpentane", - "iupac_name": "2,4-dimethylpentane", - "smiles": "CC(C)CC(C)C", - "inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0330827048532021 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0366667367483614 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0377671082043151 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0377148026788743 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.0082408557372305 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0243001912122176 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.003412946328745 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0175334128937475 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0605078812971673 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0392769164256335 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0301172278111491 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0048269307823542 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0043783554618441 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0450893664494606 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0250489155107141 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0118478833221701 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.012572338288588 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.020688404322789 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0226346644703475 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0067208686526825 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0323019983631087 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": 0.0096327152029494 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0047892263460737 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": -0.0582059829147042 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0010406116510216 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0040111842065011 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.039786866340568 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": -0.0059707725203992 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0245576040499847 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0138904619798354 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "375-83-7", - "name": "1-hydroperfluoroheptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane", - "smiles": "FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7HF15/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H" - }, - "model_record": { - "k_ij": 0.0202059831784971 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": -0.0565986699460341 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "model_record": { - "k_ij": -0.0758744267131798 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0087701248979227 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0132632499995939 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0148546527481474 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.008906065754425 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0214092841194244 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0045691143145893 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0401345816723835 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": -0.0472955006855918 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0097295429700023 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.1161435501384454 - } - }, - { - "id1": { - "cas": "123-91-1", - "name": "1,4-dioxane", - "iupac_name": "1,4-dioxane", - "smiles": "C1COCCO1", - "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.016438675443264 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0916146556253588 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.016497162906759 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0161907345731384 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.0014977617280078 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.018307168070454 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0909888736034611 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0059889521456798 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0011817812713329 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0013708555032309 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0021092675598225 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0008518789191659 - } - }, - { - "id1": { - "cas": "108-48-5", - "name": "2,6-dimethylpyridine", - "iupac_name": "2,6-dimethylpyridine", - "smiles": "Cc1cccc(C)n1", - "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": -0.0157594402500637 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0486246595451995 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "model_record": { - "k_ij": -0.0022186488352754 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0003753251610101 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0063257336591802 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0965830518109124 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0128275736011294 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "model_record": { - "k_ij": 0.0088231179131916 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0024689303311872 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0207718724799015 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "112-88-9", - "name": "1-octadecene", - "iupac_name": "octadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3" - }, - "model_record": { - "k_ij": 0.0063415350077307 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0195438441363352 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0410312241166286 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0416286722088042 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0019938102838452 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0485954217574943 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.030417117670622 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "model_record": { - "k_ij": 0.0091800044767687 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.012489659837447 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": -0.0139209500308111 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0079566657427535 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "112-34-5", - "name": "diethylene glycol monobutyl ether", - "iupac_name": "2-(2-butoxyethoxy)ethanol", - "smiles": "CCCCOCCOCCO", - "inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0128523145303739 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": 0.0066615087126157 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0280544035478968 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0277464631565685 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "95-68-1", - "name": "2,4-dimethylaniline", - "iupac_name": "2,4-dimethylaniline", - "smiles": "Cc1ccc(N)c(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3" - }, - "model_record": { - "k_ij": -0.034761007474134 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "95-15-8", - "name": "benzo(b)thiophene", - "iupac_name": "1-benzothiophene", - "smiles": "c1ccc2sccc2c1", - "inchi": "InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H" - }, - "model_record": { - "k_ij": 0.0066189702347568 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.130689540266785 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0147990065665635 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.025901070115901 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0182996877508417 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.1062746281318002 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "106-32-1", - "name": "octanoic acid ethyl ester", - "iupac_name": "ethyl octanoate", - "smiles": "CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0130458545031323 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0203957987796507 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "106-33-2", - "name": "dodecanoic acid ethyl ester", - "iupac_name": "ethyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0076515595578435 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0039950487673257 - } - }, - { - "id1": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "110-38-3", - "name": "decanoic acid ethyl ester", - "iupac_name": "ethyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0131848628752221 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "model_record": { - "k_ij": -0.0080007894027793 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0429817812280916 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0429252756211275 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": -0.000447254566365 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -1.1444776493463613e-05 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0335514731041837 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.00691315528655 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.00024378897474 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": -0.0071239327777808 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "model_record": { - "k_ij": -0.0091325771892103 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0613994924751283 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "model_record": { - "k_ij": 0.0040458692581867 - } - }, - { - "id1": { - "cas": "100-52-7", - "name": "benzaldehyde", - "iupac_name": "benzaldehyde", - "smiles": "O=Cc1ccccc1", - "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" - }, - "id2": { - "cas": "104-55-2", - "name": "cinnamaldehyde ", - "iupac_name": "(e)-3-phenylprop-2-enal", - "smiles": "O=CC=Cc1ccccc1", - "inchi": "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H" - }, - "model_record": { - "k_ij": -0.0058967284662051 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0042571724614197 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0223228835686645 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": -0.0119160886942238 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0198163137869904 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0253023427904391 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0040517153695457 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -1.9143860593373192e-05 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0021910211451185 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0232972717641849 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0158388963125764 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0671429305079393 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0230971552763699 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.076216007189139 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0024700596493006 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0049980223764059 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0192526191292329 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0005016577124389 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0047100142681566 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0131783800823964 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0052595312674445 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0020175482807833 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0151911514445019 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0513548620476146 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0011923543395952 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0335089739971505 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": -0.0115061117997108 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 2.3428740870783037e-05 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0047089119450474 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "model_record": { - "k_ij": 0.0170136534763542 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0228012367104633 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0062304423422356 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0012937833099985 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0084973467162136 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0148022169223311 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0007968840614548 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "120-80-9", - "name": "1,2-dihydroxybenzene ", - "iupac_name": "benzene-1,2-diol", - "smiles": "Oc1ccccc1O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "model_record": { - "k_ij": -0.0994235674356719 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0683721842275316 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0060358119345988 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.01086788575695 - } - }, - { - "id1": { - "cas": "123-86-4", - "name": "butyl acetate", - "iupac_name": "butyl acetate", - "smiles": "CCCCOC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0129002757462903 - } - }, - { - "id1": { - "cas": "622-45-7", - "name": "cyclohexyl acetate", - "iupac_name": "cyclohexyl acetate", - "smiles": "CC(=O)OC1CCCCC1", - "inchi": "InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0941132626600071 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0188603077571861 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0549679620247771 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0544581381726495 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0229113303124566 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0620492423614015 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "model_record": { - "k_ij": 0.0304081882347932 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0405518069231523 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0550342341756059 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0554591273398812 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0068667158656315 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0676380546062122 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0080003973377605 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0329120441955069 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.013310673968687 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0269592940837363 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0007791326761319 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.008815598134711 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.057618289828411 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "534-15-6", - "name": "1,1-dimethoxyethane", - "iupac_name": "1,1-dimethoxyethane", - "smiles": "COC(C)OC", - "inchi": "InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0048021551488372 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0591336652147631 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": 0.0261959603867561 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0056047120554933 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0107109199587411 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0372277331052529 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0037500948370306 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0223125660969851 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0014755363704697 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0028546859132046 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -1.0438935091998412e-05 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0629931303040912 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0242542880607554 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0390681983351248 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0313629189540539 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0045864381504459 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.059098062127629 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0046513211561287 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0033559674774501 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0159464392786107 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0009837014300034 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0108041973284833 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -1.4082851082628557e-05 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.037891579638084 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0320434753281119 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0206687792890093 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0046124605767669 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0586425351608587 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0176878929986762 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0100533251043629 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0299650763063003 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.0698647759986251 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0017621685744823 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0029639615864816 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0279725148613143 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0131083948510904 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0169857785852536 - } - }, - { - "id1": { - "cas": "79-20-9", - "name": "methyl acetate", - "iupac_name": "methyl acetate", - "smiles": "COC(C)=O", - "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0013164722124428 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "model_record": { - "k_ij": -0.0328577227659689 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0258495651721186 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0264814844931573 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0228743146926123 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0787627794923422 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": -0.0105363242020743 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "model_record": { - "k_ij": 0.0530578878695885 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0161120169554192 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": -0.1217972776833988 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0305300411232886 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0718871283991531 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0392908027926735 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0583791557746149 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0316595064612852 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0777612939115036 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0069757170253338 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.1357394528109314 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 0.0253642735872715 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.2241060218205455 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0857018236739092 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0386609444509205 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.039971134556961 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0407524152661728 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0474339121659684 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0028218519177572 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.045485434215406 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0041661471120605 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.060992638638559 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.1758347578203799 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0050312347434117 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": -0.0205373295722925 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0414461290211531 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0187644747824432 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "model_record": { - "k_ij": -0.1130320460361483 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0154719694828269 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.1492273868439182 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0227346165626689 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.1041519921719659 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0026503496723111 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0364470825570049 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0470781595581299 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0486570759731911 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0516400485975506 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0201451082296319 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0048349806533447 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0419321384895739 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.0244037617134415 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0208360993307523 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0031184994988431 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0095621992640532 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0518468214640738 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0136756788254601 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.026714325723015 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.062324025314098 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0230028255111575 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": -0.0106009416356405 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0587306881263047 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0132532862086093 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0195103489949177 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0146789228694727 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0011782674223203 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 1.2759507804826618e-05 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "model_record": { - "k_ij": 0.0146064638422585 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "79-92-5", - "name": "2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane", - "iupac_name": "2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane", - "smiles": "C=C1C2CCC(C2)C1(C)C", - "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0634786367449499 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": 0.0008030590479867 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-55-7", - "name": "ethylene glycol diacetate", - "iupac_name": "2-acetyloxyethyl acetate", - "smiles": "CC(=O)OCCOC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.03443462709474 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0143144243627708 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "model_record": { - "k_ij": -0.2033972062723891 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0218723997177925 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "1656-48-0", - "name": "3,3'-oxybispropionitrile", - "iupac_name": "3-(2-cyanoethoxy)propanenitrile", - "smiles": "N#CCCOCCC#N", - "inchi": "InChI=1S/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2" - }, - "model_record": { - "k_ij": 0.0417553402434382 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0587225353245288 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0299979184441965 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "542-10-9", - "name": "1,1-ethanediol diacetate", - "iupac_name": "1-acetyloxyethyl acetate", - "smiles": "CC(=O)OC(C)OC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3" - }, - "model_record": { - "k_ij": -0.038146902758894 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "model_record": { - "k_ij": 0.0312366939474353 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0272617439742562 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "105-38-4", - "name": "vinyl propionate", - "iupac_name": "ethenyl propanoate", - "smiles": "C=COC(=O)CC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0057894352680072 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "75-87-6", - "name": "2,2,2-trichloroacetaldehyde", - "iupac_name": "2,2,2-trichloroacetaldehyde", - "smiles": "O=CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" - }, - "model_record": {} - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0080684444971408 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": -0.0104859313325871 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": -0.1071260420033666 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0255369343850846 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "105-53-3", - "name": "diethyl malonate", - "iupac_name": "diethyl propanedioate", - "smiles": "CCOC(=O)CC(=O)OCC", - "inchi": "InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0111867080064315 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0255272481328712 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.0190480347499754 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "124-12-9", - "name": "octanenitrile", - "iupac_name": "octanenitrile", - "smiles": "CCCCCCCC#N", - "inchi": "InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.0158913300421451 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0279698975936951 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0561838683557561 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "542-59-6", - "name": "glycol monoacetate", - "iupac_name": "2-hydroxyethyl acetate", - "smiles": "CC(=O)OCCO", - "inchi": "InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0480918324795269 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "78-85-3", - "name": "methacrolein", - "iupac_name": "2-methylprop-2-enal", - "smiles": "C=C(C)C=O", - "inchi": "InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.018999691033086 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "103-09-3", - "name": "2-ethylhexylacetate", - "iupac_name": "2-ethylhexyl acetate", - "smiles": "CCCCC(CC)COC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0145838566882411 - } - }, - { - "id1": { - "cas": "64-19-7", - "name": "acetic acid", - "iupac_name": "acetic acid", - "smiles": "CC(=O)O", - "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0041060172538694 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0328857940339332 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0348585019357926 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0313860163988386 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.0028883636090574 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "model_record": { - "k_ij": 0.0181178536741079 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0033449626786278 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.03304522629413 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": -0.0015809542792242 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0387081181044915 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0617600357544026 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0107410169724458 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0054004036219674 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0298568990452186 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0013203966475733 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "3522-94-9", - "name": "2,2,5-trimethylhexane", - "iupac_name": "2,2,5-trimethylhexane", - "smiles": "CC(C)CCC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0292168313730209 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0067343624341972 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.011429403260661 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0240056546776537 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "model_record": { - "k_ij": -0.0359155915883125 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0164685094981861 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0181667742331195 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 0.0157650327898041 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": 0.026023168481207 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0278297971423944 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0110837472021448 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.017541617403926 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "98-06-6", - "name": "tert-butylbenzene", - "iupac_name": "tert-butylbenzene", - "smiles": "CC(C)(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": 0.0150640017394229 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0169601241430459 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.006572070591289 - } - }, - { - "id1": { - "cas": "98-01-1", - "name": "furfural", - "iupac_name": "furan-2-carbaldehyde", - "smiles": "O=Cc1ccco1", - "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0043446116790148 - } - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0563519355145989 - } - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0111546926536461 - } - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.0644039867500145 - } - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0179717545966763 - } - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0571889005673411 - } - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0808211402598406 - } - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0321039437725213 - } - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0123283712513064 - } - }, - { - "id1": { - "cas": "142-84-7", - "name": "dipropylamine", - "iupac_name": "n-propylpropan-1-amine", - "smiles": "CCCNCCC", - "inchi": "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0551105024815233 - } - }, - { - "id1": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "id2": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 8.280732369086322e-06 - } - }, - { - "id1": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "model_record": { - "k_ij": -0.0044553054074785 - } - }, - { - "id1": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0038381332287052 - } - }, - { - "id1": { - "cas": "629-73-2", - "name": "1-hexadecene", - "iupac_name": "hexadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1663504790043597 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 1.7311420353009434e-05 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0008244902730011 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0425020089460984 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 1.374995305561316e-05 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.0135521277924082 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "model_record": { - "k_ij": 0.0142772471986008 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0017939609677983 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "model_record": { - "k_ij": -0.0101960411551286 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-26-2", - "name": "hexylamine", - "iupac_name": "hexan-1-amine", - "smiles": "CCCCCCN", - "inchi": "InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3" - }, - "model_record": { - "k_ij": -0.0341949336327812 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "616-39-7", - "name": "methyl diethyl amine", - "iupac_name": "n-ethyl-n-methylethanamine", - "smiles": "CCN(C)CC", - "inchi": "InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0107550961893542 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0601300531069417 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0009897890433228 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0012865527361073 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0313757752381374 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0408384077921551 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0337678543400126 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0237751617247345 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0160397003365785 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0117020188426724 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0007488432175993 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0050620277955054 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0099416795026915 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0295643115074091 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0039133372152949 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.028685032041354 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0287250795564463 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0188185163074113 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0365109445520224 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0248945724985193 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0325628812390512 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.010501047923549 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0031649966988379 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0339854608434614 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0126539346647766 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0099483232419275 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0070589659385536 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0199446313683726 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -0.0002895825911241 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.005538930772178 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0047809359912632 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0446340910517949 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.2351467602715308 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0031198348393139 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0062185717523525 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0027808974426713 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0795111053088624 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0227626813545505 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0166603918500667 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0160637370363166 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0137279987137741 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0145990952733793 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0161383258775473 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0180964068084175 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": 0.0086990447361641 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": 0.0156417843178125 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0615137551560228 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0181550655457922 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0069480329320835 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0089210524968359 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 1.0455077562169436e-05 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0279809371128647 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0016502044458178 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "model_record": { - "k_ij": 0.0187494311871241 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0491746226108586 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "model_record": { - "k_ij": 0.0819247028564147 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.016044769669149 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0134920430967329 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0280300027762659 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0021002661098693 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "model_record": { - "k_ij": 0.003928943166742 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0138788407001216 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0314367164035852 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0184544708299213 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0084789056666275 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0077370841516418 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0103290724357986 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0252181688091241 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0774925475041629 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0071707453280278 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0340966033552019 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0165144280303015 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0204920329860999 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "model_record": { - "k_ij": 0.0107906319076243 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0409929016591638 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0246998268609929 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0533270249855829 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0489340010913095 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0004848602955298 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": 0.0064462064128578 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0131192204236349 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0344128662945951 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0063787032464665 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0079004369166327 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0051351698017159 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "model_record": { - "k_ij": 0.0044256330306011 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0236116172308352 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 1.0777037528638876e-05 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0014914756188263 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0186274921348832 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0203539167216273 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "model_record": { - "k_ij": 0.0095155039132929 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0257362344926841 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0375467332730992 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.032083056939416 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0466508259844836 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "96-18-4", - "name": "1,2,3-trichloropropane", - "iupac_name": "1,2,3-trichloropropane", - "smiles": "ClCC(Cl)CCl", - "inchi": "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0453732440656327 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0368573649691372 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0106445441583525 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0052343554274424 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "359-70-6", - "name": "perfluorotriethylamine", - "iupac_name": "1,1,2,2,2-pentafluoro-n,n-bis(1,1,2,2,2-pentafluoroethyl)ethanamine", - "smiles": "FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15" - }, - "model_record": { - "k_ij": 0.0797008548768243 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0020531422324838 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0206136292828635 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0454678330440849 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "model_record": { - "k_ij": 0.0098034276857747 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0545860399028796 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "502-56-7", - "name": "5-nonanone", - "iupac_name": "nonan-5-one", - "smiles": "CCCCC(=O)CCCC", - "inchi": "InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0120486421067179 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0029992653964669 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0003827315556082 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0371171855113668 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "model_record": { - "k_ij": 0.0822595179317439 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "120-82-1", - "name": "1,2,4-trichlorobenzene", - "iupac_name": "1,2,4-trichlorobenzene", - "smiles": "Clc1ccc(Cl)c(Cl)c1", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H" - }, - "model_record": { - "k_ij": 0.0080874735524047 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0002960389962335 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0092310255619094 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "1455-13-6", - "name": "o-deuteromethanol", - "iupac_name": "deuteriooxymethane", - "smiles": "[2H]OC", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" - }, - "model_record": { - "k_ij": 0.0681237160033918 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": 0.0039427002539597 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.0281658381607302 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0374993219132295 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.036589292328796 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0140228541112501 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": 0.0022538513722492 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "model_record": { - "k_ij": 0.0761786103584742 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0101054380770403 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0093819677483829 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0123312155362224 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0094245579857837 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": 0.0240625974661236 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "model_record": { - "k_ij": 0.017395611802035 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" - }, - "model_record": { - "k_ij": 0.0113718170670797 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0015396659092785 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-43-4", - "name": "p-chlorotoluene", - "iupac_name": "1-chloro-4-methylbenzene", - "smiles": "Cc1ccc(Cl)cc1", - "inchi": "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "model_record": { - "k_ij": 0.0024561564801421 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0080980294386624 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0094614753081769 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0343509905888408 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "100-40-3", - "name": "4-ethenylcyclohexene", - "iupac_name": "4-ethenylcyclohexene", - "smiles": "C=CC1CC=CCC1", - "inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2" - }, - "model_record": { - "k_ij": 0.0061665238921431 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0069155367349364 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0071135265161885 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "102-82-9", - "name": "tributylamine", - "iupac_name": "n,n-dibutylbutan-1-amine", - "smiles": "CCCCN(CCCC)CCCC", - "inchi": "InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0006216276651191 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "model_record": { - "k_ij": 0.0106375020444293 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0149736199252916 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1391000380174366 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.016756548426838 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0085851176398991 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 3.032549978255087e-05 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0051767606794096 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": 0.1138498597668732 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1256417267436305 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0144233068442257 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "model_record": { - "k_ij": -0.0005082522076593 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0233555863030514 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0112221061490079 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.1061855529430442 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0254615525687982 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0146530109968439 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0067082837347064 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0054434386458014 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0226327279989688 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0042365487767849 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0119081234349173 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.031048346311056 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0303423148531899 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0242480401615573 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "999-97-3", - "name": "hexamethyldisilazane", - "iupac_name": "[dimethyl-(trimethylsilylamino)silyl]methane", - "smiles": "C[Si](C)(C)N[Si](C)(C)C", - "inchi": "InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3" - }, - "model_record": { - "k_ij": -0.0034215006420494 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-27-4", - "name": "isoamyl butyrate", - "iupac_name": "3-methylbutyl butanoate", - "smiles": "CCCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0097191132053584 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0132912404374362 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "model_record": { - "k_ij": 0.0331307423012815 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "5891-21-4", - "name": "5-chloro-2-pentanone", - "iupac_name": "5-chloropentan-2-one", - "smiles": "CC(=O)CCCCl", - "inchi": "InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.05070101038566 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0088586998442949 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0155550132072253 - } - }, - { - "id1": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0092135110860929 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0421476704133787 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0025062203999098 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.000721866100307 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0013485876710532 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.062922522650603 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0007689333379314 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": -0.000588578400529 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0313182448400724 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0365175676227516 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0234266282601213 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0210088134122645 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0213542973740015 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0022738074729381 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0319844232118392 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0141927642503907 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0350314006555288 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0235378012378632 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0300898902606476 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0330570386482192 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0368254773843319 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0247561710014641 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0413589371519625 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0030179249099092 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0121510680550793 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0073102400555616 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0005861736814865 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -0.0046361463200697 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0021581814979851 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0020295416241261 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0042405486146213 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0048175527996576 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0177195993428253 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0164268264618269 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0068589391659995 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0041283968025631 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0267646251046309 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0161206736838525 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0322570790942224 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": 0.0098907516796872 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": 0.0158348215644496 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0192703830437393 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0602751034811531 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.03075708505578 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0026578468515467 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0110915853522134 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0189927427956097 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0234724605647348 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0282627687515848 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0151944989769487 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0321432503945043 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0172136841553502 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0075487607807146 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0150979140052386 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0276621028390357 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0732978850256114 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0232175650128657 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0108858998337905 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "335-57-9", - "name": "perfluoro-n-heptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" - }, - "model_record": { - "k_ij": 0.0810311726368726 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0045377438134546 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.015874267280902 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0243946112319836 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0268775519466964 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0054426237048941 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "model_record": { - "k_ij": 0.0232382080745583 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0099216047894184 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0096315344647841 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0042666329885226 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.005146640938973 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "583-59-5", - "name": "2-methylcyclohexanol ", - "iupac_name": "2-methylcyclohexan-1-ol", - "smiles": "CC1CCCCC1O", - "inchi": "InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0361422778559314 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0059113971297283 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0083847497054077 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0065007536660333 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.008624427874409 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.022640505589376 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0202017473387799 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0208406123821645 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "model_record": { - "k_ij": 0.01039947626858 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0515124442425287 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.0016513721540722 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "model_record": { - "k_ij": 0.0156088514054366 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0010765323823609 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0385499412491164 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "335-44-4", - "name": "2,2,3-trichloroheptafluorobutane", - "iupac_name": "2,2,3-trichloro-1,1,1,3,4,4,4-heptafluorobutane", - "smiles": "FC(F)(F)C(F)(Cl)C(Cl)(Cl)C(F)(F)F", - "inchi": "InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.0290648029178439 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.039592322636194 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0096739720929669 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0150619053707637 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0196310231766401 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0582765678628231 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0279873869973158 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0280175079635388 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.0302352208466417 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0433212028617234 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "model_record": { - "k_ij": -0.0230577436754904 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.0292457839765321 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0281462466267933 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0178881077652299 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "model_record": { - "k_ij": 0.0108275511627543 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "model_record": { - "k_ij": 0.0016987813826558 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0147415048264161 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0077496957324585 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0098367248024345 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0100729836296565 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0098919647947338 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0096939556718321 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "594-83-2", - "name": "2,3,3-trimethyl-2-butanol", - "iupac_name": "2,3,3-trimethylbutan-2-ol", - "smiles": "CC(C)(C)C(C)(C)O", - "inchi": "InChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3" - }, - "model_record": { - "k_ij": 0.0079728992306751 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0267437941344012 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0060559289586066 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0288334806042235 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0272873115429999 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0007944824740378 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0069753140415467 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0022295420748246 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0094589533500902 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "591-49-1", - "name": "1-methylcyclohexene", - "iupac_name": "1-methylcyclohexene", - "smiles": "CC1=CCCCC1", - "inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3" - }, - "model_record": { - "k_ij": 1.196723170331388e-05 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0081195705443728 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "624-24-8", - "name": "methyl valerate", - "iupac_name": "methyl pentanoate", - "smiles": "CCCCC(=O)OC", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0246423652185076 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0074009702477658 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "589-98-0", - "name": "3-octanol", - "iupac_name": "octan-3-ol", - "smiles": "CCCCCC(O)CC", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.006262362665179 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "123-96-6", - "name": "2-octanol", - "iupac_name": "octan-2-ol", - "smiles": "CCCCCCC(C)O", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0043806040776579 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0107496445664881 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "model_record": { - "k_ij": 0.0011905004926192 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0165013660648021 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1189726286609893 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0117312643888533 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.028390655961602 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0026733620358021 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0069960712917263 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "model_record": { - "k_ij": 0.0139126648767448 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0189833271708497 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0166361033121126 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0353702445151013 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "629-14-1", - "name": "1,2-diethoxyethane", - "iupac_name": "1,2-diethoxyethane", - "smiles": "CCOCCOCC", - "inchi": "InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0225185925450224 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0157763458276647 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-98-9", - "name": "pivalic acid", - "iupac_name": "2,2-dimethylpropanoic acid", - "smiles": "CC(C)(C)C(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)" - }, - "model_record": { - "k_ij": 0.013313583677566 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0110936050995303 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0087599230345153 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0105931953841492 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0143729243734934 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0315142818883831 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "75-62-7", - "name": "bromotrichloromethane [r10b1]", - "iupac_name": "bromo(trichloro)methane", - "smiles": "ClC(Cl)(Cl)Br", - "inchi": "InChI=1S/CBrCl3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0024759590033922 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0240616545023463 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-27-4", - "name": "isoamyl butyrate", - "iupac_name": "3-methylbutyl butanoate", - "smiles": "CCCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0071027611656397 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0099047646896446 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "110-18-9", - "name": "n,n,n',n'-tetramethyl ethylenediamine", - "iupac_name": "n,n,n',n'-tetramethylethane-1,2-diamine", - "smiles": "CN(C)CCN(C)C", - "inchi": "InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0022966935434662 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "106-58-1", - "name": "1,4-dimethyl piperazine", - "iupac_name": "1,4-dimethylpiperazine", - "smiles": "CN1CCN(C)CC1", - "inchi": "InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0090388062515661 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "1445-79-0", - "name": "trimethylgallium", - "iupac_name": "trimethylgallane", - "smiles": "[CH3].[CH3].[CH3].[Ga]", - "inchi": "InChI=1S/3CH3.Ga/h3*1H3;" - }, - "model_record": { - "k_ij": 0.027584649983298 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0080267859637748 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "1184-58-3", - "name": "dimethylaluminum chloride", - "iupac_name": "chloro(dimethyl)alumane", - "smiles": "[Al+].[CH3].[CH3].[Cl-]", - "inchi": "InChI=1S/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1" - }, - "model_record": { - "k_ij": -0.0185614160504134 - } - }, - { - "id1": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "104-78-9", - "name": "n,n-diethyl-1,3-diaminopropane", - "iupac_name": "n',n'-diethylpropane-1,3-diamine", - "smiles": "CCN(CC)CCCN", - "inchi": "InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0214335462996202 - } - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0187325195674939 - } - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0215107579966294 - } - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0025467292097226 - } - }, - { - "id1": { - "cas": "110-43-0", - "name": "2-heptanone", - "iupac_name": "heptan-2-one", - "smiles": "CCCCCC(C)=O", - "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0235700537834777 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0475059491307773 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.0089523619996766 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0516332090558178 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0050776984455099 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0373766893878105 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0070556056105534 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0030109000583555 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0096640204286239 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "k_ij": 0.0307981232714694 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0049529609806207 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0012762497280505 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0152289612136019 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0069765065100138 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0048418923608393 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "359-70-6", - "name": "perfluorotriethylamine", - "iupac_name": "1,1,2,2,2-pentafluoro-n,n-bis(1,1,2,2,2-pentafluoroethyl)ethanamine", - "smiles": "FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15" - }, - "model_record": { - "k_ij": 0.080176100866965 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0199398910212393 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0165346502395544 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0086632180595419 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0095819197706244 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": 2.737649278089523e-05 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0298215196351157 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1392956505197113 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0170875962944806 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1213951365786466 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0175311098516643 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0197194743191786 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0083815579054339 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0014010291316227 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.075379340586954 - } - }, - { - "id1": { - "cas": "78-78-4", - "name": "2-methylbutane", - "iupac_name": "2-methylbutane", - "smiles": "CCC(C)C", - "inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": 0.091308945076678 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0064038578618501 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0530991668418047 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "model_record": { - "k_ij": 0.0332912525393672 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0347636849468587 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0367499754613689 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0275428521669146 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0519943046618134 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0370837672967939 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0357347161560715 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0366943158485209 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0354531205645794 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0433267239097464 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 1.631317157806521e-05 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0680446641637861 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0203486045400203 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0818901093453913 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.002142654364649 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0521912260612467 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0448715440167765 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0581959715571026 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0283993205527603 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0358924003730296 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0552749415082883 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0505483352600461 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0116160980308068 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0072701515726748 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0067163977967582 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0775584413091549 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0704501998908178 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "k_ij": -0.0374205530374648 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "k_ij": 0.0706125203512925 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0029448813292108 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0019150710941027 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0195608204539502 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0152369782133942 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0354000760110256 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0207655730515635 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0172306672190891 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "model_record": { - "k_ij": 0.0386067618570668 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0076330450644182 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.042125259937249 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0788307331703223 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0007822064986054 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0106685608066712 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0176557124774567 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": 0.044753538938164 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0159857498635711 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0276037587867373 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0583528659280017 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0721141450349463 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.012813224372801 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0543583995687489 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0539497479643025 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0374245545720116 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0031400884871848 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0387631233759458 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.000506294735137 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0490281765538092 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.0748354862896832 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0106116224996864 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0099817689872619 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0095279143213592 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.0306041231385308 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0089019130058346 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0276691742133302 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0250526909379244 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0470764257570985 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0459657111261374 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "model_record": { - "k_ij": 0.0480858531298255 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0456977830323861 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0013407136620061 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0231517587396501 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0266692403632919 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0286770303938247 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0007258410527369 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "k_ij": 0.0515595156818576 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0321525151698144 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "model_record": { - "k_ij": 0.0531825342110939 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0269610023967091 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "105-57-7", - "name": "1,1-diethoxyethane", - "iupac_name": "1,1-diethoxyethane", - "smiles": "CCOC(C)OCC", - "inchi": "InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0016714095132805 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0403051670447184 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0389333543075731 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0126134413594891 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0107053408028488 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "3710-30-3", - "name": "1,7-octadiene", - "iupac_name": "octa-1,7-diene", - "smiles": "C=CCCCCC=C", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2" - }, - "model_record": { - "k_ij": 0.0427345487465894 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": -0.0476744181534681 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0074340759307204 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0314669668509139 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0440402368481495 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "17348-59-3", - "name": "isopropyl tert-butyl ether", - "iupac_name": "2-methyl-2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)(C)C", - "inchi": "InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3" - }, - "model_record": { - "k_ij": 0.0236144711597963 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "141-10-6", - "name": "6,10-dimethyl-3,5,9-undecatrien-2-one", - "iupac_name": "(3e,5e)-6,10-dimethylundeca-3,5,9-trien-2-one", - "smiles": "CC(=O)C=CC=C(C)CCC=C(C)C", - "inchi": "InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0118553403852863 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0094033504257883 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "13171-18-1", - "name": "2-methoxy-1,1,1,3,3,3-hexafluoropropane [r356mmz]", - "iupac_name": "1,1,1,3,3,3-hexafluoro-2-methoxypropane", - "smiles": "COC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0059037322947133 - } - }, - { - "id1": { - "cas": "67-63-0", - "name": "2-propanol", - "iupac_name": "propan-2-ol", - "smiles": "CC(C)O", - "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0023447462759145 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "model_record": { - "k_ij": 0.00934017186408 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0011084528669884 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0058097132368382 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0050038024132383 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0388649833762348 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0284079165183909 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0006561825619293 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.00029877812535 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.025483740035777 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0143763026162035 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0033855247381993 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0072311419378314 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": 0.0008403923892472 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": 0.0035881456328046 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0017386781420885 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0209171102852473 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0071666295227175 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0022069710550422 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "model_record": { - "k_ij": 0.0144617604933041 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0013768087033593 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0138688927850477 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0060162973371148 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0370981811518784 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0134871864993049 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0052239704579684 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.007220830139588 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0024929440177928 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0898077936551623 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.003849377983247 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0037548256741047 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.096849545751385 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0225581905132791 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0007871419954381 - } - }, - { - "id1": { - "cas": "108-20-3", - "name": "diisopropyl ether", - "iupac_name": "2-propan-2-yloxypropane", - "smiles": "CC(C)OC(C)C", - "inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "model_record": { - "k_ij": 0.0187574925630426 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0036343918387622 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0704937412431171 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.022403763954862 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0244654111326033 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0004325894678375 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0098509501962956 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.039436429696537 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.023572647958459 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0455077645579666 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0019395201848045 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0108087280789746 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0068486348113774 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -0.0030762057632293 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0078955795030766 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0046128056112322 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0109735003089507 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.001098699317621 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0022415206170448 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0139630287655928 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": 0.2066747717542739 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0224892222631267 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": 0.0076633266543012 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "k_ij": -0.0038194510042036 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0113818687296623 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0188881640467897 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0217711114385765 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0295719031866158 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.012100287731086 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0027652657695063 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0332301125365864 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "335-57-9", - "name": "perfluoro-n-heptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" - }, - "model_record": { - "k_ij": 0.0783965595840548 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0022094611825219 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": -0.0024143523582597 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 0.0038358514904018 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0575336675706528 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0108961422732639 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0232197607177104 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "75-64-9", - "name": "tert-butylamine", - "iupac_name": "2-methylpropan-2-amine", - "smiles": "CC(C)(C)N", - "inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0034083080306645 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0142536150969127 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0033516933702638 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0077506004745108 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0136968096498987 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0083375969479086 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0032216469761899 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0033769752181894 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0627825887612458 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.034891397695736 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0124261534532322 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "110-81-6", - "name": "diethyl disulfide", - "iupac_name": "(ethyldisulfanyl)ethane", - "smiles": "CCSSCC", - "inchi": "InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0084063415711051 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.1361972971062513 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0092829771587679 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0115475733426641 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0104881145798886 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0348297831464615 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "872-55-9", - "name": "2-ethylthiophene", - "iupac_name": "2-ethylthiophene", - "smiles": "CCc1cccs1", - "inchi": "InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.008477759432835 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0108266833970506 - } - }, - { - "id1": { - "cas": "540-84-1", - "name": "2,2,4-trimethylpentane", - "iupac_name": "2,2,4-trimethylpentane", - "smiles": "CC(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" - }, - "id2": { - "cas": "57018-52-7", - "name": "1-tert-butoxy-2-propanol", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]propan-2-ol", - "smiles": "CC(O)COC(C)(C)C", - "inchi": "InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0146140436890563 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0369581632945821 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0177677166954363 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0147143299569936 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.007909775662057 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0008119676201597 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0034265511767726 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0132800117679112 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0259740556819708 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 2.0004046245435616e-05 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0093019233738083 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "k_ij": -0.0083029359764111 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0030871510235277 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0016529922941085 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0019141478925383 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "model_record": { - "k_ij": 0.002839497781495 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.043781777575701 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0368867323552577 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0200941901893906 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0074535571217052 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "model_record": { - "k_ij": 0.0032212465813921 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "563-45-1", - "name": "3-methyl-1-butene", - "iupac_name": "3-methylbut-1-ene", - "smiles": "C=CC(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "model_record": { - "k_ij": 0.005298456603892 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0021317691614432 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "model_record": { - "k_ij": 0.015309025857696 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0059288672131923 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0017867196341105 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0018271548549366 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0052794262743812 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "model_record": { - "k_ij": 0.0194570870834612 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.0194177997751207 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0041112385590042 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0034126536135729 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "591-93-5", - "name": "1,4-pentadiene", - "iupac_name": "penta-1,4-diene", - "smiles": "C=CCC=C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2" - }, - "model_record": { - "k_ij": 0.0022072810903375 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": 0.002994510961279 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "model_record": { - "k_ij": 0.0190617490802209 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "1574-41-0", - "name": "cis-1,3-pentadiene", - "iupac_name": "(3z)-penta-1,3-diene", - "smiles": "C=C/C=C\\C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-" - }, - "model_record": { - "k_ij": 0.002830820692579 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0957507222856368 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0037252308722409 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0721950002871222 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "6163-66-2", - "name": "di-tert-butyl ether", - "iupac_name": "2-methyl-2-[(2-methylpropan-2-yl)oxy]propane", - "smiles": "CC(C)(C)OC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0808759354955298 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.001461513225258 - } - }, - { - "id1": { - "cas": "78-79-5", - "name": "isoprene", - "iupac_name": "2-methylbuta-1,3-diene", - "smiles": "C=CC(=C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" - }, - "id2": { - "cas": "598-25-4", - "name": "dimethylallene", - "iupac_name": "3-methylbuta-1,2-diene", - "smiles": "C=C=C(C)C", - "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0046288297961746 - } - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0397342824697509 - } - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0099731486473715 - } - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0035992551482933 - } - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0476639326252243 - } - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0054378107791297 - } - }, - { - "id1": { - "cas": "74-88-4", - "name": "methyl iodide", - "iupac_name": "iodomethane", - "smiles": "CI", - "inchi": "InChI=1S/CH3I/c1-2/h1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1170841420837622 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "model_record": { - "k_ij": -0.0129857502307418 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "111-26-2", - "name": "hexylamine", - "iupac_name": "hexan-1-amine", - "smiles": "CCCCCCN", - "inchi": "InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3" - }, - "model_record": { - "k_ij": -0.0451990607069636 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0485293745611999 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0032089594682174 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.004072571763504 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0106781086210415 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0018011013991618 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0067632368432547 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0173757666759404 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0185506382881337 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0025369996215869 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0020403655202888 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0020955852248356 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 1.2429408118557055e-05 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0074261609762371 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -0.0023824221729492 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -1.4083287699171704e-05 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0033365687141081 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0283543757210004 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0039668487678361 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0032691295431408 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0067186132118437 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0021414560766456 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0110172247000036 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0062772961061054 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0135777279601537 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0040878674469119 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.02136544618758 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0097366058411444 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0037449655706751 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0043022960552494 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0120107380191893 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0072077127999565 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0105595490956251 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "96-18-4", - "name": "1,2,3-trichloropropane", - "iupac_name": "1,2,3-trichloropropane", - "smiles": "ClCC(Cl)CCl", - "inchi": "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0342003490236779 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0036199314134237 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0412341132604568 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "502-56-7", - "name": "5-nonanone", - "iupac_name": "nonan-5-one", - "smiles": "CCCCC(=O)CCCC", - "inchi": "InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0052857915303822 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "model_record": { - "k_ij": 0.0751304892756779 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0036502303374855 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0015199906814927 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0041917582183865 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0031520890928025 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1019656519690154 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": -0.0215204086662183 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0480704567262774 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1530511697041998 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.1143622359329403 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0010225099660882 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0047141980396748 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0204263333848846 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0114287850806364 - } - }, - { - "id1": { - "cas": "592-41-6", - "name": "1-hexene", - "iupac_name": "hex-1-ene", - "smiles": "C=CCCCC", - "inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" - }, - "id2": { - "cas": "542-69-8", - "name": "1-iodobutane", - "iupac_name": "1-iodobutane", - "smiles": "CCCCI", - "inchi": "InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0042441772494376 - } - }, - { - "id1": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0151509222904293 - } - }, - { - "id1": { - "cas": "108-18-9", - "name": "diisopropylamine", - "iupac_name": "n-propan-2-ylpropan-2-amine", - "smiles": "CC(C)NC(C)C", - "inchi": "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" - }, - "id2": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0153026731425862 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "model_record": { - "k_ij": 0.0005471005424472 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0426691651611853 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "model_record": { - "k_ij": 0.0080392307289335 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": -0.0034495828674235 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0110133136978411 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0051404611865086 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0042711489557142 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": 1.2765501863634349e-05 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": 0.0071430420909169 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1596133363589542 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0080290287820373 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0308083564478687 - } - }, - { - "id1": { - "cas": "90-12-0", - "name": "1-methylnaphthalene", - "iupac_name": "1-methylnaphthalene", - "smiles": "Cc1cccc2ccccc12", - "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" - }, - "id2": { - "cas": "288-32-4", - "name": "1h-imidazole", - "iupac_name": "1h-imidazole", - "smiles": "c1c[nH]cn1", - "inchi": "InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0508432091352804 - } - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": -0.0058018807821462 - } - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1615408263613566 - } - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0335875064642999 - } - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1064820928802556 - } - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "model_record": { - "k_ij": -0.1224669638391355 - } - }, - { - "id1": { - "cas": "91-57-6", - "name": "2-methylnaphthalene", - "iupac_name": "2-methylnaphthalene", - "smiles": "Cc1ccc2ccccc2c1", - "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" - }, - "id2": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "smiles": "c1ccc2[nH]ccc2c1", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "model_record": { - "k_ij": 0.0222173058261896 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0497955325199492 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.014925234679701 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0173153829598757 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "model_record": { - "k_ij": 0.0311044258279356 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0627261423582754 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0527501313823568 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.1072686122071363 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.2247244424147098 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0559200591599526 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.030282239865522 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -2.52771173299792e-05 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0964829105132864 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0781250905791114 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0469714335031663 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0539191998246616 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.035930163869387 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0691264389571124 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0354987644944841 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0452006192713497 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0159473671673194 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0505600756643017 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0383171065350721 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0981114507883244 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.1207315020492342 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0008120433482057 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": -0.1928465538438353 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0030552000334924 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": 0.0358607208970762 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "50-00-0", - "name": "formaldehyde", - "iupac_name": "formaldehyde", - "smiles": "C=O", - "inchi": "InChI=1S/CH2O/c1-2/h1H2" - }, - "model_record": { - "k_ij": -0.9711057554632678 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0021256895345186 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0052539001787346 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0409928990253048 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0664160303643396 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "model_record": { - "k_ij": 0.011433695308834 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0589822642557277 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0076460730963284 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.057909149934863 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0133783209943665 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0503845009834101 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0223127407029624 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0408272672212906 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0419478362445906 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0381477984996764 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.005828533095604 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0318975422017275 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0015249333526959 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0262899084436005 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0366089474301569 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0215470012461283 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0213683683398184 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": 0.0223484330811335 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "model_record": { - "k_ij": 0.0494277035585609 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0438823590743509 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0327090036694939 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0146333195761091 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": 0.1342005376433255 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0977687400154915 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.015238234285614 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0265636482892874 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0069454847395373 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.1262174266047767 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0817424332890834 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0757449326826125 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "model_record": { - "k_ij": 0.0385234784704362 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0236282302784387 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0610708469468796 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0524799383189789 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0037875647432595 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": 0.056712388863259 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0808578874991162 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0510800946608389 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "90-15-3", - "name": "1-naphthol", - "iupac_name": "naphthalen-1-ol", - "smiles": "Oc1cccc2ccccc12", - "inchi": "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" - }, - "model_record": { - "k_ij": -0.0860969859602617 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.0450097690719348 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0387508686883011 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0416506529610105 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0635551550973241 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0382786935461746 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": 0.0496779731916342 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0406605083712949 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.042094215450638 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "model_record": { - "k_ij": 0.0624526048175904 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0108207862063585 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "model_record": { - "k_ij": -0.1271257734340055 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "625-65-0", - "name": "2,4-dimethyl-2-pentene", - "iupac_name": "2,4-dimethylpent-2-ene", - "smiles": "CC(C)=CC(C)C", - "inchi": "InChI=1S/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.040361974408671 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0575690514400583 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.0248495463394757 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0173988471093378 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0614872288439303 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "model_record": { - "k_ij": 0.0568971747303909 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0502721743873227 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.1137436490301622 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-62-9", - "name": "methyl oleate", - "iupac_name": "methyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-" - }, - "model_record": { - "k_ij": 0.0063426970725486 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0385257546856414 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0272942607468862 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "584-02-1", - "name": "3-pentanol", - "iupac_name": "pentan-3-ol", - "smiles": "CCC(O)CC", - "inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0020730843558579 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0204915124541505 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "model_record": { - "k_ij": -0.000756905265503 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0292493187601403 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0109681010891551 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0276571921787015 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "k_ij": 0.0955191696565111 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "563-78-0", - "name": "2,3-dimethyl-1-butene", - "iupac_name": "2,3-dimethylbut-1-ene", - "smiles": "C=C(C)C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3" - }, - "model_record": { - "k_ij": 0.0549498072258278 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0431936529503765 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "model_record": { - "k_ij": -0.0250196539459294 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "112-72-1", - "name": "1-tetradecanol", - "iupac_name": "tetradecan-1-ol", - "smiles": "CCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3" - }, - "model_record": { - "k_ij": 0.057738889725478 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "model_record": { - "k_ij": 0.0208862678128628 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0332255041127105 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0236638132369779 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1574-41-0", - "name": "cis-1,3-pentadiene", - "iupac_name": "(3z)-penta-1,3-diene", - "smiles": "C=C/C=C\\C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-" - }, - "model_record": { - "k_ij": 0.0339381591290252 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0218346331046968 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0037767995195966 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0199710927397329 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0140710416450696 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0187551395997406 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": -0.0484975854738911 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": -0.062885084765099 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.1062853564106691 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "model_record": { - "k_ij": 0.027380279292227 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0121899514395091 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0542296670052079 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0376296879553831 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0442320124532228 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0424426011760487 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0462318058496729 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0315266574562397 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.1190070519966434 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "156-87-6", - "name": "3-amino-1-propanol", - "iupac_name": "3-aminopropan-1-ol", - "smiles": "NCCCO", - "inchi": "InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.1808808125037716 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "model_record": { - "k_ij": 0.0221408062436713 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "359-11-5", - "name": "trifluoroethene (r1123)", - "iupac_name": "1,1,2-trifluoroethene", - "smiles": "FC=C(F)F", - "inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0283689706458533 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "model_record": { - "k_ij": 0.0552646663202075 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "1000-63-1", - "name": "butyl tert-butyl ether", - "iupac_name": "1-[(2-methylpropan-2-yl)oxy]butane", - "smiles": "CCCCOC(C)(C)C", - "inchi": "InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0134532718733714 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "model_record": { - "k_ij": 0.0454561830304286 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0857545918559429 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0366599026136711 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.006153023066299 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0323860458807559 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "model_record": { - "k_ij": -0.0120757578390999 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "13463-40-6", - "name": "iron pentacarbonyl", - "iupac_name": "carbon monoxide; iron", - "smiles": "[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]", - "inchi": "InChI=1S/5CO.Fe/c5*1-2;" - }, - "model_record": { - "k_ij": 0.0476880758066288 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.025142407240523 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "765-30-0", - "name": "cyclopropylamine", - "iupac_name": "cyclopropanamine", - "smiles": "NC1CC1", - "inchi": "InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2" - }, - "model_record": { - "k_ij": -0.0862839920187242 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "594-91-2", - "name": "perfluoro-2-methyl-butane", - "iupac_name": "1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)butane", - "smiles": "FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C5F12/c6-1(3(9,10)11,4(12,13)14)2(7,8)5(15,16)17" - }, - "model_record": { - "k_ij": -0.0786419402561597 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0287399860947393 - } - }, - { - "id1": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "id2": { - "cas": "62108-41-2", - "name": "2-methoxy-2,4,4-trimethylpentane", - "iupac_name": "2-methoxy-2,4,4-trimethylpentane", - "smiles": "COC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C9H20O/c1-8(2,3)7-9(4,5)10-6/h7H2,1-6H3" - }, - "model_record": { - "k_ij": 0.0179610251759116 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0019321866792727 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0040621054437656 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0315547750037059 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.037201195384529 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0063604362519292 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0015821511047905 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0057196855332718 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0058963987930778 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0219335008660688 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0020786372548037 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "model_record": { - "k_ij": 0.0747077657033706 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "3221-61-2", - "name": "2-methyloctane", - "iupac_name": "2-methyloctane", - "smiles": "CCCCCCC(C)C", - "inchi": "InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0080209606588056 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0086860808475656 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0050179466008699 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "592-27-8", - "name": "2-methylheptane", - "iupac_name": "2-methylheptane", - "smiles": "CCCCCC(C)C", - "inchi": "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": -6.177926063336754e-06 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0051384620509703 - } - }, - { - "id1": { - "cas": "107-83-5", - "name": "2-methylpentane", - "iupac_name": "2-methylpentane", - "smiles": "CCCC(C)C", - "inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0099192285043498 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.002081264274945 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0052562433766889 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0390933104502806 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0026513346539399 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0128028126728798 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0093242452294088 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0162361420740655 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0072953527625277 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0275345580237334 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0002190233937744 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "model_record": { - "k_ij": 0.0757719677071241 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0086998601558896 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0051594712050557 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0359723340443148 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.4499450587748094 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.092281821455401 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.004522171315441 - } - }, - { - "id1": { - "cas": "96-14-0", - "name": "3-methylpentane", - "iupac_name": "3-methylpentane", - "smiles": "CCC(C)CC", - "inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0151869628395429 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0237560912203798 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0093542814947258 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 0.0060937623561234 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.1252379419007144 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0104715645982427 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0233661813564002 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0124965611307096 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0012111134143666 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0163749453605608 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0333183360827141 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0732686959571776 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0247175998574903 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0201476913099153 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0414291773241619 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "14850-23-8", - "name": "trans-4-octene", - "iupac_name": "(e)-oct-4-ene", - "smiles": "CCC/C=C/CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+" - }, - "model_record": { - "k_ij": 0.0239925767972493 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "1704-62-7", - "name": "2-(2-dimethylaminoethoxy) ethanol", - "iupac_name": "2-[2-(dimethylamino)ethoxy]ethanol", - "smiles": "CN(C)CCOCCO", - "inchi": "InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0143670450929777 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "7642-15-1", - "name": "cis-4-octene", - "iupac_name": "(z)-oct-4-ene", - "smiles": "CCC/C=C\\CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-" - }, - "model_record": { - "k_ij": 0.0328679816331614 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0133195540391329 - } - }, - { - "id1": { - "cas": "109-86-4", - "name": "2-methoxyethanol", - "iupac_name": "2-methoxyethanol", - "smiles": "COCCO", - "inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0433456755445049 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0457740472382771 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0373074388735661 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0358612886432686 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 0.0163504717314412 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0128310516551885 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0329325819294904 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0162927832280234 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0202581189578267 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0263149106307931 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.02772068480629 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": -0.0218220926396392 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0228177414012649 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "model_record": { - "k_ij": 0.0531542272804455 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.0509094574344526 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0072606203083104 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0603228589902929 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0088536717270637 - } - }, - { - "id1": { - "cas": "110-91-8", - "name": "morpholine", - "iupac_name": "morpholine", - "smiles": "C1COCCN1", - "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" - }, - "id2": { - "cas": "109-02-4", - "name": "n-methylmorpholine", - "iupac_name": "4-methylmorpholine", - "smiles": "CN1CCOCC1", - "inchi": "InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0074912876579126 - } - }, - { - "id1": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0480303843521087 - } - }, - { - "id1": { - "cas": "123-42-2", - "name": "diacetone alcohol", - "iupac_name": "4-hydroxy-4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)(C)O", - "inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0765253603290233 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "model_record": { - "k_ij": 0.0017262194123336 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0160885645385421 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0246668706882521 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0072530738488419 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0031594287270536 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0097947630851961 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0024134585889766 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": -0.0063645229822188 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.0052856913178052 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": -0.0013913117697523 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0023574578132372 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1497432325212547 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0452048513219405 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.019662708693071 - } - }, - { - "id1": { - "cas": "104-51-8", - "name": "butylbenzene", - "iupac_name": "butylbenzene", - "smiles": "CCCCc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" - }, - "id2": { - "cas": "536-78-7", - "name": "3-ethylpyridine", - "iupac_name": "3-ethylpyridine", - "smiles": "CCc1cccnc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0002519846818696 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0233645307578783 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.015390158097727 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0073145437524587 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0086189057655523 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0169681439611055 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0033878615055684 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0019711827496538 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.006750398443226 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.006687655709782 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0141498515028656 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.003707769613521 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0205275898407803 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0033659695622169 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0159710191710287 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.1181693277046931 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0219921538910638 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "108-83-8", - "name": "diisobutyl ketone", - "iupac_name": "2,6-dimethylheptan-4-one", - "smiles": "CC(C)CC(=O)CC(C)C", - "inchi": "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0117884005898876 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0068067065180347 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0297993679169482 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "model_record": { - "k_ij": 0.01377264944401 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0687704998075323 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0014913856345374 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0057663187606338 - } - }, - { - "id1": { - "cas": "108-10-1", - "name": "4-methyl-2-pentanone", - "iupac_name": "4-methylpentan-2-one", - "smiles": "CC(=O)CC(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0146920876639064 - } - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0537106498170933 - } - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0942579953539707 - } - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0085527703848175 - } - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0305254373767856 - } - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0009619901011415 - } - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0052055892860975 - } - }, - { - "id1": { - "cas": "108-99-6", - "name": "3-methylpyridine", - "iupac_name": "3-methylpyridine", - "smiles": "Cc1cccnc1", - "inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 8.392082616365182e-06 - } - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.1104576456542252 - } - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0031921682652857 - } - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0055464535947666 - } - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0005063969080593 - } - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": -0.0355019580882137 - } - }, - { - "id1": { - "cas": "108-89-4", - "name": "4-methylpyridine", - "iupac_name": "4-methylpyridine", - "smiles": "Cc1ccncc1", - "inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3" - }, - "id2": { - "cas": "100-48-1", - "name": "4-cyanopyridine", - "iupac_name": "pyridine-4-carbonitrile", - "smiles": "N#Cc1ccncc1", - "inchi": "InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H" - }, - "model_record": { - "k_ij": -0.0070546476274059 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0282965395168826 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0251608153947268 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0227767705968411 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0260406906919619 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0064434950463342 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0504488011794731 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.054543243027166 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.1077006306578568 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0240070481822185 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0213125802708701 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0304296295898982 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0136512074120318 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0170797854128426 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0263474103760897 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0260743710600551 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0020713209848863 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0118074121389206 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0932561935471459 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0714132704029141 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0023737441201387 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0022321582468008 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0064222698047787 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.1468535389601402 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0049553214992353 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0395300717654888 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0334750631334474 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0834584071737386 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0113670040865861 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0048737738494643 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0094838868668538 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0085910999172389 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0185005732812331 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0120946960191387 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0361346669618266 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "17071-47-5", - "name": "butyl isobutyl ether", - "iupac_name": "1-(2-methylpropoxy)butane", - "smiles": "CCCCOCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0033897580214798 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0053354681472833 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0297898064597857 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0068098341978182 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": 0.0096659307962676 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0113072655534887 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0059125248595079 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0072298553115198 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0388816747977977 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0590177588777869 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0438987169684459 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0135879125141895 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0256164531793982 - } - }, - { - "id1": { - "cas": "78-83-1", - "name": "2-methyl-1-propanol", - "iupac_name": "2-methylpropan-1-ol", - "smiles": "CC(C)CO", - "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "model_record": { - "k_ij": 0.031036555515844 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0248825548252282 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 0.0055551535322289 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0164376230733912 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0008178276373586 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0025019821676367 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0014644122242513 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0034252799815436 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "model_record": { - "k_ij": 0.0350738737558017 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0170194492786345 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "95-13-6", - "name": "indene", - "iupac_name": "1h-indene", - "smiles": "C1=Cc2ccccc2C1", - "inchi": "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" - }, - "model_record": { - "k_ij": 0.0049624122914327 - } - }, - { - "id1": { - "cas": "98-83-9", - "name": "alpha-methyl styrene", - "iupac_name": "prop-1-en-2-ylbenzene", - "smiles": "C=C(C)c1ccccc1", - "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0510080373403597 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0091963155245457 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "112-88-9", - "name": "1-octadecene", - "iupac_name": "octadec-1-ene", - "smiles": "C=CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3" - }, - "model_record": { - "k_ij": 0.0062926331594602 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0224914143768802 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0219093758601531 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0039758960563717 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0019136255113026 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0040345524445598 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0398139731834394 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": -1.8423492119659625e-05 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "model_record": { - "k_ij": 0.0154637211908753 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "112-34-5", - "name": "diethylene glycol monobutyl ether", - "iupac_name": "2-(2-butoxyethoxy)ethanol", - "smiles": "CCCCOCCOCCO", - "inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": -0.0161087242896255 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": -0.0104265394151198 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0106851404104016 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "496-11-7", - "name": "indane ", - "iupac_name": "2,3-dihydro-1h-indene", - "smiles": "c1ccc2c(c1)CCC2", - "inchi": "InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2" - }, - "model_record": { - "k_ij": 0.0096284168277435 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1366647403365538 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0033350691555922 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0521688008841542 - } - }, - { - "id1": { - "cas": "91-20-3", - "name": "naphthalene", - "iupac_name": "naphthalene", - "smiles": "c1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0123130968190431 - } - }, - { - "id1": { - "cas": "54-11-5", - "name": "l-nicotine", - "iupac_name": "3-[(2s)-1-methylpyrrolidin-2-yl]pyridine", - "smiles": "CN1CCC[C@H]1c1cccnc1", - "inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0358471525113265 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.036084184227331 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0194433257267624 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0209957571783806 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.007841321198439 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0053203734649377 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0451108663442851 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": -0.049266246824095 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0461448985888318 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0046505705090264 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "model_record": { - "k_ij": -0.0020748819800319 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0185237808749974 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0199968176646546 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "model_record": { - "k_ij": -0.0076225656646195 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.051617436143802 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.04617247720069 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": -2.798261522626488e-05 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0438429631048608 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0038138103413719 - } - }, - { - "id1": { - "cas": "75-52-5", - "name": "nitromethane", - "iupac_name": "nitromethane", - "smiles": "C[N+](=O)[O-]", - "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0183997635303029 - } - }, - { - "id1": { - "cas": "108-03-2", - "name": "1-nitropropane", - "iupac_name": "1-nitropropane", - "smiles": "CCC[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0037686271016365 - } - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0341443353925589 - } - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0273558845222123 - } - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0167486028162084 - } - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": -0.0132040323582238 - } - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0127445391619982 - } - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0054643785541945 - } - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "k_ij": -0.0070434415963949 - } - }, - { - "id1": { - "cas": "143-08-8", - "name": "1-nonanol", - "iupac_name": "nonan-1-ol", - "smiles": "CCCCCCCCCO", - "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.125683428753817 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0011410789815017 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0175462770849148 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0342843582881324 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.002842295456866 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0159619970443181 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0304733306807014 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0376564688617173 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.047856299511973 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0254119410010088 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0453833289313002 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0026891030855274 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0121724649419428 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0091243478489599 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0099536245222664 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.1297461152737075 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0004440479098866 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0050338126668502 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0095799599130816 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0252732474993006 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0154754043713671 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0361886766817076 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0607870275727263 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.016441647117732 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0005784807935937 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0331876653570826 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "k_ij": -0.0016410577512634 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "model_record": { - "k_ij": 0.0024835441267246 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0310696144548394 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0326448715931157 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0880156108028107 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0177578875855373 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0273017288445059 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0786119265882686 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0099147755144482 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0214374536173965 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": 0.0065776387126816 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0367084928102198 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0026848265527276 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0086305016400807 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0096808930125171 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0071098888949413 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "model_record": { - "k_ij": 0.0017081557443769 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.009500419694871 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 0.0062900157475533 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0208340992015083 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "model_record": { - "k_ij": -0.0120525586573124 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0394787494688539 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.0004477723236545 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0401816257345351 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0288903573483389 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0212420893149675 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0622471584723122 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0019177425692332 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0405847167862676 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "100-44-7", - "name": "benzyl chloride", - "iupac_name": "chloromethylbenzene", - "smiles": "ClCc1ccccc1", - "inchi": "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" - }, - "model_record": { - "k_ij": 0.0178582070132792 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0001799855849569 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0176476370321921 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "model_record": { - "k_ij": 0.0077090141892628 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0078341349688348 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0115467903704179 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0067416277483151 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "13389-42-9", - "name": "trans-2-octene", - "iupac_name": "(e)-oct-2-ene", - "smiles": "C/C=C/CCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+" - }, - "model_record": { - "k_ij": 0.0004016027717048 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "14850-23-8", - "name": "trans-4-octene", - "iupac_name": "(e)-oct-4-ene", - "smiles": "CCC/C=C/CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+" - }, - "model_record": { - "k_ij": 0.0006342965450207 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "model_record": { - "k_ij": 0.0055360531850249 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "624-24-8", - "name": "methyl valerate", - "iupac_name": "methyl pentanoate", - "smiles": "CCCCC(=O)OC", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0228141685768324 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0148116324353865 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "7642-04-8", - "name": "cis-2-octene", - "iupac_name": "(z)-oct-2-ene", - "smiles": "C/C=C\\CCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3-" - }, - "model_record": { - "k_ij": 2.766465982928312e-05 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "14850-22-7", - "name": "cis-3-octene", - "iupac_name": "(z)-oct-3-ene", - "smiles": "CC/C=C\\CCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5-" - }, - "model_record": { - "k_ij": 2.630736880331162e-05 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "7642-15-1", - "name": "cis-4-octene", - "iupac_name": "(z)-oct-4-ene", - "smiles": "CCC/C=C\\CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-" - }, - "model_record": { - "k_ij": 0.0014959305481342 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "model_record": { - "k_ij": 0.0008636851760953 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0125560181007789 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1335499122718075 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.020364859394524 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0202630100028752 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0199491810501648 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0066963533023877 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.1017631232788942 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": 0.1350811907690865 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0175468029174459 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "model_record": { - "k_ij": 0.0150919427092398 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "1187-58-2", - "name": "n-methyl propanamide", - "iupac_name": "n-methylpropanamide", - "smiles": "CCC(O)=NC", - "inchi": "InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0323312634153255 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0721487482901415 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0304593253664034 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0156128741417442 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0023933946553126 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0368673131892408 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "638-49-3", - "name": "amyl formate", - "iupac_name": "pentyl formate", - "smiles": "CCCCCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0251433534343634 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0067555468391769 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0113562512491359 - } - }, - { - "id1": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "model_record": { - "k_ij": 0.004247743588863 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0059844603645212 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0018223434739301 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -0.0026943788719372 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.056956725367089 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0108187937615182 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0507345003590391 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0105496677093563 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0087159166307515 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0336418236802649 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": -0.0039445146501315 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0190493926265006 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0157407744414807 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0055651770658194 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "589-81-1", - "name": "3-methylheptane", - "iupac_name": "3-methylheptane", - "smiles": "CCCCC(C)CC", - "inchi": "InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0048161031999192 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.003688987438167 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0137151265966761 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0108243182768172 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1306482807023319 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0205364323588059 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0832825994605696 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0132398824161923 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0216723723444321 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0052195989939491 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0159789779333093 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "542-69-8", - "name": "1-iodobutane", - "iupac_name": "1-iodobutane", - "smiles": "CCCCI", - "inchi": "InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0059482002249431 - } - }, - { - "id1": { - "cas": "111-66-0", - "name": "1-octene", - "iupac_name": "oct-1-ene", - "smiles": "C=CCCCCCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" - }, - "id2": { - "cas": "2998-08-5", - "name": "sec-butylacrylate", - "iupac_name": "butan-2-yl prop-2-enoate", - "smiles": "C=CC(=O)OC(C)CC", - "inchi": "InChI=1S/C7H12O2/c1-4-6(3)9-7(8)5-2/h5-6H,2,4H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0211729773735675 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0007623614983617 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0083058651562102 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 0.0007054803336108 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "model_record": { - "k_ij": 0.0427214257504781 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0162815990654005 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0235684777535242 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0008357376954216 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.023374908387921 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0145872460879033 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0836797473643909 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0246196297119442 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0114862075786789 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0075682180795649 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0763634419413481 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.005634787975332 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "model_record": { - "k_ij": 0.0203344888829294 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0426954669478366 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0230004917469949 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0066305336231951 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "821-95-4", - "name": "1-undecene", - "iupac_name": "undec-1-ene", - "smiles": "C=CCCCCCCCCC", - "inchi": "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3" - }, - "model_record": { - "k_ij": 0.0173723232861412 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0295046513743436 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-46-3", - "name": "1,3-dihydroxybenzene ", - "iupac_name": "benzene-1,3-diol", - "smiles": "Oc1cccc(O)c1", - "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" - }, - "model_record": { - "k_ij": -0.0105756565362405 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.045670464900092 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(C)=O", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0408626859698896 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "smiles": "CCCCCCC(C)=O", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0507839409567665 - } - }, - { - "id1": { - "cas": "95-48-7", - "name": "2-methylphenol", - "iupac_name": "2-methylphenol", - "smiles": "Cc1ccccc1O", - "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0122263282716119 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0014649317292142 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 0.0116384709681291 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0293340342973087 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0101389285249349 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0489071251328918 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0187066067054502 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0027420032085186 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0201037833133337 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0300834307730439 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0186254150678105 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.1766394697786146 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0089176061422846 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "model_record": { - "k_ij": 0.0303617918535178 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0368306219272837 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": 0.020701404630611 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.1339046143752752 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "120-80-9", - "name": "1,2-dihydroxybenzene ", - "iupac_name": "benzene-1,2-diol", - "smiles": "Oc1ccccc1O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "model_record": { - "k_ij": -0.0019267165228739 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "108-44-1", - "name": "m-methylaniline", - "iupac_name": "3-methylaniline", - "smiles": "Cc1cccc(N)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": -0.0104469951014941 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "model_record": { - "k_ij": -0.0922056817936412 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0802796161315335 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "106-49-0", - "name": "p-methylaniline", - "iupac_name": "4-methylaniline", - "smiles": "Cc1ccc(N)cc1", - "inchi": "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": -0.0133884498296736 - } - }, - { - "id1": { - "cas": "106-44-5", - "name": "4-methylphenol", - "iupac_name": "4-methylphenol", - "smiles": "Cc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" - }, - "id2": { - "cas": "150-76-5", - "name": "p-methoxyphenol", - "iupac_name": "4-methoxyphenol", - "smiles": "COc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.029554005559839 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0066884452740888 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0287249923486227 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0331583967749949 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0315921360618388 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0115205782762614 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0105223515581061 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0244262412617955 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "678-26-2", - "name": "perfluoropentane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17" - }, - "model_record": { - "k_ij": 0.0830279411498287 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -5.038627335618451e-05 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.011679652666684 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0188116347581986 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0571972632935763 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0076388088495455 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0073236434708312 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0051714654516366 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0081505053231337 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0324192692531879 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.019362355045931 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0714662533810949 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0128432960767629 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0187104334300267 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "model_record": { - "k_ij": 0.0167753178421956 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0012397099018015 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0056796304989058 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0162377320893321 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0332079584069721 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0339308781441709 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0321226140709988 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0566926552981165 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0483460192018068 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0004174528056441 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "model_record": { - "k_ij": 0.0223607596540155 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0003680781373508 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "110-53-2", - "name": "1-bromopentane", - "iupac_name": "1-bromopentane", - "smiles": "CCCCCBr", - "inchi": "InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0171090576295791 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "1809-10-5", - "name": "3-bromopentane", - "iupac_name": "3-bromopentane", - "smiles": "CCC(Br)CC", - "inchi": "InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0181344511809062 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.0289170534577367 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0275155545206935 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0176035540712978 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0165523218812352 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": 7.890057921689023e-06 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0066360232795555 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0627353930516988 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0273211108731116 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "model_record": { - "k_ij": 0.0026461938117646 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1348786037112 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0006538552263828 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0117020648218301 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1140329941670526 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0080182616806064 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0174159658077008 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0299961032139386 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.101006304661285 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0330835501282738 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0027006856915385 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0096013922673272 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "model_record": { - "k_ij": 0.0631104876070104 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0963866128736569 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0872458451747182 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "756-13-8", - "name": "dodecafluoro-2-methylpentan-3-one", - "iupac_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one", - "smiles": "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18" - }, - "model_record": { - "k_ij": 0.0723723603721614 - } - }, - { - "id1": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0716015234276784 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": -0.0344384188495128 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0081635736061501 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0406090040140504 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0110581895578724 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.109899811802388 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0020928693691696 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0170239223707383 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0104301103716261 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0222681289011897 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0164887743986253 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.003462902574505 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0103537826678674 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "k_ij": -0.0298139901273367 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0316335934285105 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.007166019911999 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0027583147400091 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0075270970754455 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0107895186375349 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.005727247531625 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0021937989585436 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0164144461538949 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0150668297354172 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0218249610567298 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0163414637570937 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.002735761934591 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0029729421709503 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "model_record": { - "k_ij": 0.0147734482572192 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0381742460097197 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0666211347442194 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0110888761904838 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0279444757352779 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0202140548566136 - } - }, - { - "id1": { - "cas": "71-41-0", - "name": "1-pentanol", - "iupac_name": "pentan-1-ol", - "smiles": "CCCCCO", - "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "110-66-7", - "name": "1-pentanethiol", - "iupac_name": "pentane-1-thiol", - "smiles": "CCCCCS", - "inchi": "InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0322778866426509 - } - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0010857852135099 - } - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0354754488228876 - } - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 2.839365998455278e-05 - } - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0043117541073473 - } - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0500726642635417 - } - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0029127072048177 - } - }, - { - "id1": { - "cas": "107-87-9", - "name": "2-pentanone", - "iupac_name": "pentan-2-one", - "smiles": "CCCC(C)=O", - "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0016202416306853 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0263962270396818 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0041370493297575 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0898209442154899 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 0.0047756389958414 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "model_record": { - "k_ij": 0.0571107179572924 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0240129304292859 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0223539886721515 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.1173078586200437 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0077275361131115 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.1782093593111556 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.068501038664501 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0952270059044267 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": -0.0409038538338991 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-47-4", - "name": "2,4-dimethylpyridine", - "iupac_name": "2,4-dimethylpyridine", - "smiles": "Cc1ccnc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "model_record": { - "k_ij": -0.0965194217857458 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0336047000422485 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0745377450732586 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0137270712017741 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "124-11-8", - "name": "1-nonene", - "iupac_name": "non-1-ene", - "smiles": "C=CCCCCCCC", - "inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3" - }, - "model_record": { - "k_ij": 0.0180632025076346 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "model_record": { - "k_ij": -0.0223571192556122 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0155814368296022 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 0.0187388232456055 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0508218240870638 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.1838998798807441 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "model_record": { - "k_ij": 0.028357189500127 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "model_record": { - "k_ij": -0.0045350884841863 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0409918436703663 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "502-56-7", - "name": "5-nonanone", - "iupac_name": "nonan-5-one", - "smiles": "CCCCC(=O)CCCC", - "inchi": "InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0445872627747413 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.126027835330018 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0357307905080126 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0463761093622329 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0171782639847487 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0178926198522753 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.1000053259938036 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0861020666763285 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.1325727499652738 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "821-95-4", - "name": "1-undecene", - "iupac_name": "undec-1-ene", - "smiles": "C=CCCCCCCCCC", - "inchi": "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3" - }, - "model_record": { - "k_ij": 0.028788992012523 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0478404676644179 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.074806017223532 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "98-06-6", - "name": "tert-butylbenzene", - "iupac_name": "tert-butylbenzene", - "smiles": "CC(C)(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" - }, - "model_record": { - "k_ij": 0.0222921851090342 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.1136305547585216 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0571256068706622 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0485309491614122 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(C)=O", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0424540234845203 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "111-13-7", - "name": "2-octanone", - "iupac_name": "octan-2-one", - "smiles": "CCCCCCC(C)=O", - "inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.055594468605177 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0771000189723157 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "model_record": { - "k_ij": 0.0007967341826429 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "88-18-6", - "name": "2-tert-butylphenol", - "iupac_name": "2-tert-butylphenol", - "smiles": "CC(C)(C)c1ccccc1O", - "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3" - }, - "model_record": { - "k_ij": 0.0062830884751438 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "model_record": { - "k_ij": 0.0183547167577447 - } - }, - { - "id1": { - "cas": "108-95-2", - "name": "phenol", - "iupac_name": "phenol", - "smiles": "Oc1ccccc1", - "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "id2": { - "cas": "599-64-4", - "name": "p-cumylphenol", - "iupac_name": "4-(2-phenylpropan-2-yl)phenol", - "smiles": "CC(C)(c1ccccc1)c1ccc(O)cc1", - "inchi": "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3" - }, - "model_record": { - "k_ij": 0.0174809407272963 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0490199679682836 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0430957811904151 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "model_record": { - "k_ij": 0.0301028832295012 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0973004745701117 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0117649774560854 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0362373641166076 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0333349855023507 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0473187202287298 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0263551834462297 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0275664605800177 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0395389032796834 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0392605000495965 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0707022519397222 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.032912602056009 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.099338605235411 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0790430282754387 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "k_ij": 0.0183619998726265 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0183530094936436 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0066213174027423 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0488972870732318 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0165270814232928 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0325624606893383 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0857892043100958 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0147098655619514 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0252486415139602 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": 0.0225025236197827 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0409695077231333 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0137525870097273 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0472117149547413 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0756308969109813 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0001971867111393 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.1070318061383195 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0365847725552186 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0232046533488239 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0030216407911973 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0765086684501538 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0346469102504254 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0107061495036991 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0185648842838815 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.0201050063923978 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0050397698666739 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0156388941369928 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0169859773325353 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0356564868507783 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0401472380725532 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "model_record": { - "k_ij": 0.0236660331062671 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0210998499130793 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "3452-09-3", - "name": "1-nonyne", - "iupac_name": "non-1-yne", - "smiles": "C#CCCCCCCC", - "inchi": "InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3" - }, - "model_record": { - "k_ij": 0.0175152979584123 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0124276996838045 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0331123897948562 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0294329010920617 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0195251940447594 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0430805306038072 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "629-05-0", - "name": "1-octyne", - "iupac_name": "oct-1-yne", - "smiles": "C#CCCCCCC", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3" - }, - "model_record": { - "k_ij": 0.0199130329873845 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0146307541199419 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "model_record": { - "k_ij": 0.038679819385549 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.034834368900726 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0297351533348367 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": -0.0301136255038565 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0435238723721073 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0393210488046103 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0029536468488317 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": -0.0292996146467932 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0132340223140088 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0294263277449605 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0291442021750415 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "156-87-6", - "name": "3-amino-1-propanol", - "iupac_name": "3-aminopropan-1-ol", - "smiles": "NCCCO", - "inchi": "InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.2111277204199051 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0284172994569522 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0869332823989506 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0129168394029253 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.030138249686047 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "29171-20-8", - "name": "3,7-dimethyl-6-octen-1-yn-3-ol", - "iupac_name": "3,7-dimethyloct-6-en-1-yn-3-ol", - "smiles": "C#CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3" - }, - "model_record": { - "k_ij": 0.0195150008790169 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0123024176220203 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0051003220085768 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "model_record": { - "k_ij": 0.0082828139983086 - } - }, - { - "id1": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "406-78-0", - "name": "1,1,1,4,4,5,5-heptafluoro-3-oxa-pentane", - "iupac_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane", - "smiles": "FC(F)C(F)(F)OCC(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0050664118309213 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.087385836205739 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0645358360664848 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0352259105663562 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": -0.0413135765250283 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0496208417562048 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0495577017413339 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0086254977326746 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.000981690784002 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0069921544559967 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0104742803325532 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0411447630755798 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "model_record": { - "k_ij": -0.0183397304135232 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0106626272069155 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0067564288238326 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0065541399884914 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0181871439318146 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0264397020507058 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0032125957485872 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0097428920035343 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0497938684037255 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "model_record": { - "k_ij": -0.0095088780175619 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0554050942456939 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0230260930886628 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0005046556707637 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0112466504914601 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0060388003545141 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "model_record": { - "k_ij": -0.1486625339008296 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0500406146061991 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0463891011572756 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0440903038172942 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0334866732697318 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0639400436220369 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": -0.1154227858516817 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "105-68-0", - "name": "isoamyl propionate", - "iupac_name": "3-methylbutyl propanoate", - "smiles": "CCC(=O)OCCC(C)C", - "inchi": "InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0103580581148043 - } - }, - { - "id1": { - "cas": "79-09-4", - "name": "propionic acid", - "iupac_name": "propanoic acid", - "smiles": "CCC(=O)O", - "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" - }, - "id2": { - "cas": "123-62-6", - "name": "propionic anhydride", - "iupac_name": "propanoyl propanoate", - "smiles": "CCC(=O)OC(=O)CC", - "inchi": "InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0067555979969104 - } - }, - { - "id1": { - "cas": "107-03-9", - "name": "1-propanethiol", - "iupac_name": "propane-1-thiol", - "smiles": "CCCS", - "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0038057430800066 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0093819251779894 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0138059271958558 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0024521040687309 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0188388468519924 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 1.465353657358376e-05 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "model_record": { - "k_ij": -0.0088814209242285 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0212884848896963 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.010579243077491 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "smiles": "C=C(C)CCC", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0211760696799513 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": 0.00499940169634 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0049742131750212 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0048666756040552 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": 0.0236098007634326 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0241520717772999 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0133792764465635 - } - }, - { - "id1": { - "cas": "75-56-9", - "name": "1,2-propylene oxide", - "iupac_name": "2-methyloxirane", - "smiles": "CC1CO1", - "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0013069234366351 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "model_record": { - "k_ij": -0.0068876996494637 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0323571898329521 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "model_record": { - "k_ij": 0.0104707241072595 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0044554422491421 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0009513873550635 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0194712999984992 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.025244904984246 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.005981328212946 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0038950535219862 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0121716236523612 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -2.828439893140073e-05 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.027167809288651 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -2.4530869131062205e-05 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0017164054792184 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0053030313007199 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0013840594391524 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0077444026811647 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 0.0051853376514985 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0256566770227468 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0088615297307091 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0027202487225663 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0655112692748558 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0291412841696386 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0216902544195885 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.1968942404582457 - } - }, - { - "id1": { - "cas": "110-86-1", - "name": "pyridine", - "iupac_name": "pyridine", - "smiles": "c1ccncc1", - "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": -0.0441342005269228 - } - }, - { - "id1": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0046942120704315 - } - }, - { - "id1": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0078329868063303 - } - }, - { - "id1": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0166697814369613 - } - }, - { - "id1": { - "cas": "119-36-8", - "name": "salicylic acid methyl ester", - "iupac_name": "methyl 2-hydroxybenzoate", - "smiles": "COC(=O)c1ccccc1O", - "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1206908103103582 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0065233317347194 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0155689423241552 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.078309559880669 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "k_ij": 0.0279836554498105 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0704634800252935 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0100883892900127 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0037389600206559 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0083956133258431 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1581375402281546 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1105348840294838 - } - }, - { - "id1": { - "cas": "75-15-0", - "name": "carbon disulfide", - "smiles": "S=C=S", - "inchi": "InChI=1S/CS2/c2-1-3" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "model_record": { - "k_ij": 0.0223536470072921 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0045569864081938 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0019275307077707 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0024604926016235 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0222729680268522 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0531434106973966 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0157471967135386 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0093245137180287 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.032375960410211 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0008346582468142 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "model_record": { - "k_ij": 0.0181821338820655 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.007003679203459 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 0.000452143617152 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0062703084645225 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0132953799677896 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "model_record": { - "k_ij": 0.0284821064083991 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0093217275976457 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0064600125785755 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "95-13-6", - "name": "indene", - "iupac_name": "1h-indene", - "smiles": "C1=Cc2ccccc2C1", - "inchi": "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" - }, - "model_record": { - "k_ij": 0.0091027427090947 - } - }, - { - "id1": { - "cas": "100-42-5", - "name": "styrene", - "iupac_name": "styrene", - "smiles": "C=Cc1ccccc1", - "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0005838088119045 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0990050198037922 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.01075331889927 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0003608684887544 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0190726204181253 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -0.0130646604481496 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0404403771690908 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0842521371830736 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0045510042413084 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0388654276453695 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0300872687298778 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0031790101938243 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0201011520855839 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0083877994857247 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "75-25-2", - "name": "tribromomethane [r20b3]", - "iupac_name": "bromoform", - "smiles": "BrC(Br)Br", - "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0513561978504477 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.1192944508793365 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.1328981718991375 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0591949996464339 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": -0.0287164563642132 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": -0.0044403251662212 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "model_record": { - "k_ij": -0.0102981052599424 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0199395074606529 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0227986184465253 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "model_record": { - "k_ij": -0.0779518387353067 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": -0.0266783125350163 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0072246933219405 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "502-56-7", - "name": "5-nonanone", - "iupac_name": "nonan-5-one", - "smiles": "CCCCC(=O)CCCC", - "inchi": "InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0085589719962969 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": -0.0019019040254726 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.2247329266241534 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 9.665441423407796e-05 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "k_ij": -0.1298958910309356 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0345579422050102 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.0307772323067168 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0308243363405808 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0270871644821873 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0099421633875065 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0262172619953475 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0173162361975068 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0001420576184209 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0156121459451575 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0121638982707524 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0420382768820821 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "29171-20-8", - "name": "3,7-dimethyl-6-octen-1-yn-3-ol", - "iupac_name": "3,7-dimethyloct-6-en-1-yn-3-ol", - "smiles": "C#CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3" - }, - "model_record": { - "k_ij": -0.100631483807653 - } - }, - { - "id1": { - "cas": "67-68-5", - "name": "dimethyl sulfoxide", - "iupac_name": "methylsulfinylmethane", - "smiles": "CS(C)=O", - "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0104370107224183 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.040044406666602 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0409840436686242 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0011372389743129 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.036475705577408 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.03632173378514 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0323553153798441 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0412154640556665 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0434577112006989 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.029862274478072 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0095802397544274 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0027722424712141 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "k_ij": -0.056237578692748 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "k_ij": -0.0561320088342823 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0143214339227163 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0246704720981816 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.02775052448349 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0896611894921852 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 8.857125333177701e-06 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0153914085141427 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0383290573276478 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.016259563538475 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.025003820324678 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0421180263008907 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.0206137082788467 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0141225598830192 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.0696580756449743 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.05621570412556 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "625-27-4", - "name": "2-methyl-2-pentene", - "iupac_name": "2-methylpent-2-ene", - "smiles": "CCC=C(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0306942977633998 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0333909350971967 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0028059744561923 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.004456368538016 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0185777886689626 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0037038929493856 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0036400729743756 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0153837640295901 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0302415148511592 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0009640792314599 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.001382957523755 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0421347317938383 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.028051888629629 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0102714934714425 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0237144467488439 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0271839721505143 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "k_ij": -0.0088369739526052 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0559164766496803 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "model_record": { - "k_ij": 0.0408875813648211 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0066642864908106 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": 0.0225620714442519 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0199829907471309 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0252325830368885 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0262223816388978 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0070188438193658 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0094981025323076 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0238263865470307 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0319901565751656 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0485911576852373 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0260708450501876 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0054732538753231 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0321513244402872 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0523577486448951 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0090051692494005 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0113565880513717 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0065703892627497 - } - }, - { - "id1": { - "cas": "75-65-0", - "name": "tert-butanol", - "iupac_name": "2-methylpropan-2-ol", - "smiles": "CC(C)(C)O", - "inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.018365331208178 - } - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0087211715550915 - } - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0077216835819332 - } - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0366649327207474 - } - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0144300478496743 - } - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": 0.0110450819158873 - } - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1460518860654409 - } - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0145795506218383 - } - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0113180614901482 - } - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0155373964631412 - } - }, - { - "id1": { - "cas": "629-59-4", - "name": "tetradecane", - "iupac_name": "tetradecane", - "smiles": "CCCCCCCCCCCCCC", - "inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "110-38-3", - "name": "decanoic acid ethyl ester", - "iupac_name": "ethyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0221064444203222 - } - }, - { - "id1": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": 0.017978181410363 - } - }, - { - "id1": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0012777534136911 - } - }, - { - "id1": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0049728785824221 - } - }, - { - "id1": { - "cas": "493-02-7", - "name": "trans-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1810949172470173 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0118170731750804 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0006977420797635 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0161383520107763 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "model_record": { - "k_ij": -0.0117876808263701 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": -0.000741201937961 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": 0.0061811494837296 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": 0.0024140960863451 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0090999299788249 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": 0.007913938718738 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "108-44-1", - "name": "m-methylaniline", - "iupac_name": "3-methylaniline", - "smiles": "Cc1cccc(N)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": 0.0158602228760179 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "model_record": { - "k_ij": 0.005282144144124 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1392864614548662 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0338034250651136 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0141388505586015 - } - }, - { - "id1": { - "cas": "119-64-2", - "name": "1,2,3,4-tetrahydronaphthalene", - "iupac_name": "1,2,3,4-tetrahydronaphthalene", - "smiles": "c1ccc2c(c1)CCCC2", - "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" - }, - "id2": { - "cas": "132-64-9", - "name": "dibenzo[b,d]furan", - "iupac_name": "dibenzofuran", - "smiles": "c1ccc2c(c1)oc1ccccc12", - "inchi": "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" - }, - "model_record": { - "k_ij": 0.0056810873913945 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0118537627108343 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0014138322565917 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0143857815218933 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0175938074001717 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": -0.0009721600465527 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0007780608246288 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0006795984688086 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "3522-94-9", - "name": "2,2,5-trimethylhexane", - "iupac_name": "2,2,5-trimethylhexane", - "smiles": "CC(C)CCC(C)(C)C", - "inchi": "InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3" - }, - "model_record": { - "k_ij": 0.0005985282136293 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0028151924351481 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0010943077320895 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.03538564340459 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0167860288566136 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0058075317401041 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0100065765186113 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": 0.0014793014832138 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.048811651672424 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0174560551798709 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0165171751862749 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0465987849578474 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0108633726535889 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0187659562315794 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0313911897123303 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0011540804584769 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-46-9", - "name": "2-nitropropane", - "iupac_name": "2-nitropropane", - "smiles": "CC(C)[N+](=O)[O-]", - "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0018565062300809 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0115321932858636 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.015887397049506 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0200906852931955 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "model_record": { - "k_ij": 0.0106149300392188 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0100842271873238 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0081629139757126 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0219455752773796 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0143161006135698 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0037366358843332 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": -0.0074827073482632 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0226953477976923 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0058738074784635 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0130956573808681 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": -0.0072665444652468 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": -0.0045981453009983 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0077621971642215 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0069715574788049 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0020692436327503 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "model_record": { - "k_ij": 9.680666546297302e-06 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0028711153183734 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0280121251673607 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0087245584472983 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0335479841747753 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0026550581673332 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0087280479814614 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "model_record": { - "k_ij": -0.0170866292547532 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0003259155773047 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0337428834668644 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": -0.0061675059787758 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0018470125142262 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0049363418664738 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "112-14-1", - "name": "octyl acetate", - "iupac_name": "octyl acetate", - "smiles": "CCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0333458676465746 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "597-49-9", - "name": "3-ethyl-3-pentanol", - "iupac_name": "3-ethylpentan-3-ol", - "smiles": "CCC(O)(CC)CC", - "inchi": "InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0357438397608487 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "107-04-0", - "name": "1-bromo-2-chloroethane", - "iupac_name": "1-bromo-2-chloroethane", - "smiles": "ClCCBr", - "inchi": "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" - }, - "model_record": { - "k_ij": 0.0171997034435747 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": 0.0118651866419821 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0136312057382837 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.006337979125941 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0305179662339427 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "112-06-1", - "name": "heptyl acetate", - "iupac_name": "heptyl acetate", - "smiles": "CCCCCCCOC(C)=O", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0394905485798171 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-87-6", - "name": "2,2,2-trichloroacetaldehyde", - "iupac_name": "2,2,2-trichloroacetaldehyde", - "smiles": "O=CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" - }, - "model_record": { - "k_ij": 0.0058907810880501 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1194269431789867 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0170850978286749 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": 0.0890941513880173 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0151780871887464 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0075079028764546 - } - }, - { - "id1": { - "cas": "56-23-5", - "name": "tetrachloromethane", - "iupac_name": "tetrachloromethane", - "smiles": "ClC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0126232584042778 - } - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.011149407067422 - } - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.2106477450596234 - } - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0169938007156481 - } - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0233593508170709 - } - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "model_record": { - "k_ij": 0.0556987264596707 - } - }, - { - "id1": { - "cas": "97-99-4", - "name": "tetrahydrofurfuryl alcohol", - "iupac_name": "oxolan-2-ylmethanol", - "smiles": "OCC1CCCO1", - "inchi": "InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0247030052220958 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0075759802021837 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -3.006324927809745e-05 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0029061724753583 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0087215605207777 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0199465293275869 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0080750711514763 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0156666666755547 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0092042452691051 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0701823085702855 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": -0.0044681613263976 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "model_record": { - "k_ij": -0.0021807576204222 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.024423886843877 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0049205099057105 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0040257938080318 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0026951511506156 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0087167708374341 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0032530488625297 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0005280370142161 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.084829137366683 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0210581180120704 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0085518044134601 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": -0.0086234977532164 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": -7.037762909194005e-06 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0103172258508495 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.00211674618285 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0077956465358236 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0027503673064609 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0046154644417158 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0456973620131461 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0149384113707021 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": -0.1078291490981889 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0050463082468899 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0139403311704977 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.005410320061233 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0207656290714423 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0041556320465976 - } - }, - { - "id1": { - "cas": "109-99-9", - "name": "tetrahydrofuran", - "iupac_name": "oxolane", - "smiles": "C1CCOC1", - "inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0125742220414154 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0040840030042318 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0022204084126368 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0056376910310112 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0183346853525985 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0582678768362278 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0035609640163398 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -1.5391874264956005e-05 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0216184337804214 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": -0.0006670143319178 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "model_record": { - "k_ij": -0.0103223506540886 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "model_record": { - "k_ij": -0.0240371289339965 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0108433869951555 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0039955455090519 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": -0.0061371880537107 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.043811912928235 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": -0.0101903148937727 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0518867780820107 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "78-94-4", - "name": "methyl vinyl ketone", - "iupac_name": "but-3-en-2-one", - "smiles": "C=CC(C)=O", - "inchi": "InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0024652778291234 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0246651624209182 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0067039493489803 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0174358512122192 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0070518633013229 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "model_record": { - "k_ij": 0.0497035476778243 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0114574962096582 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "model_record": { - "k_ij": 0.0041442439145943 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0089945439554012 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0096620032530045 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0052208609603074 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0015506406564674 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0113680704973532 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "124-70-9", - "name": "methyl vinyl dichlorosilane", - "iupac_name": "dichloro-ethenyl-methylsilane", - "smiles": "C=C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0090593344654902 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0148868193811993 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "model_record": { - "k_ij": 0.0232852529881729 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0071310122188561 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0241575272085589 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0067677359792984 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0027745758994211 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": -0.0045597775137065 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0431271144169204 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": -0.0032220755393908 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0115072887684193 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0319802780947118 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0197014030834657 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0048879690370327 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "model_record": { - "k_ij": -0.0133094874451259 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.013941219690538 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0024255409617199 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "model_record": { - "k_ij": -0.0235628423484328 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.003144090761743 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "model_record": { - "k_ij": 0.0128256117138999 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0057698977358848 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": 0.0126705026815099 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0241967243402561 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0071729536053805 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "model_record": { - "k_ij": 0.0146649205581309 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": -0.0037445004670672 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0005317831193261 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0008096830330159 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "624-83-9", - "name": "isocyanic acid methyl ester", - "iupac_name": "methylimino(oxo)methane", - "smiles": "CN=C=O", - "inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3" - }, - "model_record": { - "k_ij": -0.0132411961852464 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0094231805873833 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0216859042311235 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.0067514339348793 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0125867710398804 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0132801577933398 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 1.0634743737350012e-05 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.016543400863834 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0053969156433325 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0029388251981818 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "model_record": { - "k_ij": 0.0090622119174806 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0025437138497209 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0186911856542907 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "model_record": { - "k_ij": 0.0074604346384454 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0272692853837855 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0081865757500663 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.0014360404422645 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0230224448045402 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-11-2", - "name": "4-methyl-2-pentanol", - "iupac_name": "4-methylpentan-2-ol", - "smiles": "CC(C)CC(C)O", - "inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0330744534200189 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": 0.0008688855524712 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "model_record": { - "k_ij": -0.0198546769238891 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "16219-75-3", - "name": "5-ethylidenebicyclo[2.2.1]hept-2-ene ", - "iupac_name": "5-ethylidenebicyclo[2.2.1]hept-2-ene", - "smiles": "CC=C1CC2C=CC1C2", - "inchi": "InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0017907863264592 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "model_record": { - "k_ij": -0.0177070390406123 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "model_record": { - "k_ij": -0.0193802876935183 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "79-92-5", - "name": "2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane", - "iupac_name": "2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane", - "smiles": "C=C1C2CCC(C2)C1(C)C", - "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0066521170131901 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0032047519239621 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0138811088713583 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0109066812975787 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0502400973848338 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0011746984765886 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0088752334393984 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0047978346886355 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0230585940575246 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "model_record": { - "k_ij": 0.0056597910155177 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0218413974389737 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "model_record": { - "k_ij": 0.0021062885270559 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0047361652381735 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0077416223442252 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.0121309921559142 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0088779574740522 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0237920900440832 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-62-3", - "name": "valeraldehyde", - "iupac_name": "pentanal", - "smiles": "CCCCC=O", - "inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0079065838047748 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0060864879742876 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0002488645090402 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0025939489453192 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0101980894089454 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0004669772695241 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0100382531477806 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.007854612455978 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "model_record": { - "k_ij": 0.0066470634597358 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "706-31-0", - "name": "cis,trans,trans-1,5,9-cyclododecatriene", - "iupac_name": "cyclododeca-1,5,9-triene", - "smiles": "C1=C/CC/C=C/CC/C=C/CC/1", - "inchi": "InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7+,10-8+" - }, - "model_record": { - "k_ij": 0.0023539160621771 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.004781380154059 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0009518557641836 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1251896331671769 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0004088123125924 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.014602392287529 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0140252439886356 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0124539546149028 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": 0.0567542269144293 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "model_record": { - "k_ij": 0.0010559630606886 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": 0.0831989972294743 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "591-22-0", - "name": "3,5-dimethylpyridine", - "iupac_name": "3,5-dimethylpyridine", - "smiles": "Cc1cncc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" - }, - "model_record": { - "k_ij": 0.0135349574980319 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0018415667695467 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0135433576232776 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0145462699646066 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0021428528684986 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "680-31-9", - "name": "hexamethylphosphoric acid triamide", - "iupac_name": "n-[bis(dimethylamino)phosphoryl]-n-methylmethanamine", - "smiles": "CN(C)P(=O)(N(C)C)N(C)C", - "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0236814753801799 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "model_record": { - "k_ij": -0.0516244442080205 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.0230169813715188 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "96-43-5", - "name": "2-chlorothiophene", - "iupac_name": "2-chlorothiophene", - "smiles": "Clc1cccs1", - "inchi": "InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H" - }, - "model_record": { - "k_ij": -0.0043160280635575 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0010979823221098 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0009918231820793 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0151292508465317 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "536-78-7", - "name": "3-ethylpyridine", - "iupac_name": "3-ethylpyridine", - "smiles": "CCc1cccnc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0025718822386189 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0331313065655735 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "model_record": { - "k_ij": -0.0289534921954089 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "105-45-3", - "name": "methyl acetoacetate", - "iupac_name": "methyl 3-oxobutanoate", - "smiles": "COC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0191068089812675 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0034511346219356 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0310671366970385 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "97-85-8", - "name": "isobutyl isobutyrate", - "iupac_name": "2-methylpropyl 2-methylpropanoate", - "smiles": "CC(C)COC(=O)C(C)C", - "inchi": "InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0060928435039078 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0568572148551515 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "5891-21-4", - "name": "5-chloro-2-pentanone", - "iupac_name": "5-chloropentan-2-one", - "smiles": "CC(=O)CCCCl", - "inchi": "InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0052699609005165 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "model_record": { - "k_ij": 0.0609100438124664 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "103-09-3", - "name": "2-ethylhexylacetate", - "iupac_name": "2-ethylhexyl acetate", - "smiles": "CCCCC(CC)COC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0088904011999102 - } - }, - { - "id1": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "98-51-1", - "name": "p-tert-butyltoluene", - "iupac_name": "1-tert-butyl-4-methylbenzene", - "smiles": "Cc1ccc(C(C)(C)C)cc1", - "inchi": "InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3" - }, - "model_record": { - "k_ij": 0.0060234618690658 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": 0.1641598464585051 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0065671927280888 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0113627599785157 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0187700242309704 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0274961261052819 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0169443073212402 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0037881144392058 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0054540635978162 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0297416966312387 - } - }, - { - "id1": { - "cas": "121-44-8", - "name": "triethylamine", - "iupac_name": "n,n-diethylethanamine", - "smiles": "CCN(CC)CC", - "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" - }, - "id2": { - "cas": "121-45-9", - "name": "trimethylphosphite", - "iupac_name": "trimethyl phosphite", - "smiles": "COP(OC)OC", - "inchi": "InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0205415637306599 - } - }, - { - "id1": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "id2": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.008007749437297 - } - }, - { - "id1": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.003872251154841 - } - }, - { - "id1": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0039522907876891 - } - }, - { - "id1": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "id2": { - "cas": "630-20-6", - "name": "1,1,1,2-tetrachloroethane [r130a]", - "iupac_name": "1,1,1,2-tetrachloroethane", - "smiles": "ClCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 7.1671836102965244e-06 - } - }, - { - "id1": { - "cas": "79-00-5", - "name": "1,1,2-trichloroethane", - "iupac_name": "1,1,2-trichloroethane", - "smiles": "ClCC(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0621058812910798 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.0012347511350219 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0083107820237747 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0053535398710992 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0084988328184402 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0166111648009412 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0207274648697806 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0285931740095823 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0170042309069084 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0045921572530009 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0092715568848355 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0452102289154079 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0504834413588975 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0138991760529799 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0044529989099726 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "14850-23-8", - "name": "trans-4-octene", - "iupac_name": "(e)-oct-4-ene", - "smiles": "CCC/C=C/CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+" - }, - "model_record": { - "k_ij": -0.0018736103603729 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "7642-15-1", - "name": "cis-4-octene", - "iupac_name": "(z)-oct-4-ene", - "smiles": "CCC/C=C\\CCC", - "inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-" - }, - "model_record": { - "k_ij": -0.0028862516981506 - } - }, - { - "id1": { - "cas": "127-18-4", - "name": "tetrachloroethylene", - "iupac_name": "1,1,2,2-tetrachloroethene", - "smiles": "ClC(Cl)=C(Cl)Cl", - "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.1120801788619108 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0097540808999171 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0131060636951516 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "k_ij": -0.0085016640148487 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.009028408951989 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0467988638455967 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0010393832323271 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0026853884379266 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0039002784581115 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "model_record": { - "k_ij": 0.0274340454110211 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0186131811549878 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0036744106275619 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0030360510099472 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1149053160853812 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0131924504567623 - } - }, - { - "id1": { - "cas": "71-55-6", - "name": "1,1,1-trichloroethane [r140a]", - "iupac_name": "1,1,1-trichloroethane", - "smiles": "CC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0049038678992477 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.1486796607107932 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.019973825051779 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0116967332575776 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0018128404665156 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "model_record": { - "k_ij": -0.0644647928852086 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0057755868182711 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "model_record": { - "k_ij": -0.0424320276241382 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "121-43-7", - "name": "boric acid trimethyl ester", - "iupac_name": "trimethyl borate", - "smiles": "COB(OC)OC", - "inchi": "InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3" - }, - "model_record": { - "k_ij": -0.00131559481232 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0067314642351045 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0710365065439428 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.02813592609821 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0036140787137816 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0112904404715403 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0062635265284444 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0146953447136167 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0095952454295007 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "model_record": { - "k_ij": 0.0499346234824127 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0181630912463881 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.002246777795938 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0161543466437696 - } - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "122-52-1", - "name": "triethoxyphosphine", - "iupac_name": "triethyl phosphite", - "smiles": "CCOP(OCC)OCC", - "inchi": "InChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "79-01-6", - "name": "trichloroethylene", - "iupac_name": "1,1,2-trichloroethene", - "smiles": "ClC=C(Cl)Cl", - "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.079301303207815 - } - }, - { - "id1": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0032943398432414 - } - }, - { - "id1": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0087326407808159 - } - }, - { - "id1": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "335-57-9", - "name": "perfluoro-n-heptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" - }, - "model_record": { - "k_ij": 0.0464727362200854 - } - }, - { - "id1": { - "cas": "98-08-8", - "name": "1',1',1'-trifluorotoluene", - "iupac_name": "trifluoromethylbenzene", - "smiles": "FC(F)(F)c1ccccc1", - "inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": 0.0473590691487755 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "model_record": { - "k_ij": 0.0139054749321431 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0491357714866372 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0010805277027942 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0277356162775082 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": -0.0026545868968975 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0015745054100911 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0007715107153467 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0141564013827367 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0639071096459947 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0095727764133536 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0427018602084803 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0048201359093099 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.00771506856633 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0015831578546427 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0432678087326805 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0031091160538232 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0255553802515709 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0089404399391138 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0244367176452024 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "591-87-7", - "name": "acetic acid 2-propenyl ester", - "iupac_name": "prop-2-enyl acetate", - "smiles": "C=CCOC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0021708307661335 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0186189344046498 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "542-10-9", - "name": "1,1-ethanediol diacetate", - "iupac_name": "1-acetyloxyethyl acetate", - "smiles": "CC(=O)OC(C)OC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0018993275065436 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "105-38-4", - "name": "vinyl propionate", - "iupac_name": "ethenyl propanoate", - "smiles": "C=COC(=O)CC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0046115016409662 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0311265530811652 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0179492210605877 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "model_record": { - "k_ij": 0.0167274404109002 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0150732306618541 - } - }, - { - "id1": { - "cas": "108-05-4", - "name": "vinyl acetate", - "iupac_name": "ethenyl acetate", - "smiles": "C=COC(C)=O", - "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0106725436751828 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0753847966606087 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.1273647234415785 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "model_record": { - "k_ij": -0.0734199306032883 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.1628833076961491 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0734655078092612 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": -0.2085152572902013 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "57-14-7", - "name": "1,1-dimethylhydrazine", - "iupac_name": "1,1-dimethylhydrazine", - "smiles": "CN(C)N", - "inchi": "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0950582033174907 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "model_record": { - "k_ij": -0.0065922794652854 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "765-43-5", - "name": "cyclopropyl methyl ketone", - "iupac_name": "1-cyclopropylethanone", - "smiles": "CC(=O)C1CC1", - "inchi": "InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.028988029921068 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.0186767729422087 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0588295799287144 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "k_ij": 0.092431122061454 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0671081772479782 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0150360419960584 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0167054431372666 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "k_ij": 0.0182650543038376 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0250232634557382 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "model_record": { - "k_ij": 0.0230703056530141 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.157452290090208 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0177899759408443 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1034628223605286 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "78-81-9", - "name": "2-methylpropylamine", - "iupac_name": "2-methylpropan-1-amine", - "smiles": "CC(C)CN", - "inchi": "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0346452578279891 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "model_record": { - "k_ij": 0.0743309696633699 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0197621306982039 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.0062571303145125 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0105221409814087 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0058761284202874 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0508022693398687 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0927917238899471 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0477507871035759 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.1008996673523261 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "model_record": { - "k_ij": 0.104423206366393 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": 0.0897720121953358 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0082048598160381 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0589109906114978 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.0147697365074569 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "model_record": { - "k_ij": 0.0720290716075336 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.1564850140862501 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.027339491108062 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1459256226622847 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0140952551718577 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.007241706081858 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "78-90-0", - "name": "1,2-propanediamine", - "iupac_name": "propane-1,2-diamine", - "smiles": "CC(N)CN", - "inchi": "InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0428501642178523 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0748432907301202 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0150517094519994 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0084123545206094 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "model_record": { - "k_ij": 0.1154556517705297 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.001389782470842 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": 0.0417985110212147 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0406269291768059 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "model_record": { - "k_ij": 0.0325654914667302 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-77-3", - "name": "diethylene glycol monomethyl ether", - "iupac_name": "2-(2-methoxyethoxy)ethanol", - "smiles": "COCCOCCO", - "inchi": "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.1353366527801157 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0265230220321355 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1476121276926919 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0194583395500963 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.0025075123943886 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.5980668712919226 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "29911-28-2", - "name": "dipropylene glycol butyl ether", - "iupac_name": "1-(1-butoxypropan-2-yloxy)propan-2-ol", - "smiles": "CCCCOCC(C)OCC(C)O", - "inchi": "InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0523840380326604 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1455-13-6", - "name": "o-deuteromethanol", - "iupac_name": "deuteriooxymethane", - "smiles": "[2H]OC", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" - }, - "model_record": { - "k_ij": -0.0091231094732122 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "k_ij": 0.0743117691639897 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0117862995872625 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "model_record": { - "k_ij": -0.0309533891377785 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0126579844755505 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.1291200099204729 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0997353918286929 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-12-7", - "name": "formamide", - "iupac_name": "formamide", - "smiles": "N=CO", - "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" - }, - "model_record": { - "k_ij": 0.1166595068776034 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0587421703534692 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0048794200307017 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "k_ij": 0.1238310480200338 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "120-80-9", - "name": "1,2-dihydroxybenzene ", - "iupac_name": "benzene-1,2-diol", - "smiles": "Oc1ccccc1O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "model_record": { - "k_ij": 0.0383523265975959 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0353722804569076 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "model_record": { - "k_ij": 0.0625879138666042 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0651057704722982 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-05-7", - "name": "2-methylpiperidine", - "iupac_name": "2-methylpiperidine", - "smiles": "CC1CCCCN1", - "inchi": "InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0475046480916055 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "model_record": { - "k_ij": -0.0489329264384619 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "model_record": { - "k_ij": 0.0395519914842318 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.0226068434188718 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-78-4", - "name": "ethylene cyanohydrin", - "iupac_name": "3-hydroxypropanenitrile", - "smiles": "N#CCCO", - "inchi": "InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2" - }, - "model_record": { - "k_ij": 0.1994100139334692 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0097921616713833 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": -0.0897817275822845 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0091562250599237 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": 0.0097849374273217 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0108018682594726 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0199403012638728 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "616-23-9", - "name": "2,3-dichloro-1-propanol", - "iupac_name": "2,3-dichloropropan-1-ol", - "smiles": "OCC(Cl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2" - }, - "model_record": { - "k_ij": 0.2039897799038066 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "100-46-9", - "name": "alpha-aminotoluene", - "iupac_name": "phenylmethanamine", - "smiles": "NCc1ccccc1", - "inchi": "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2" - }, - "model_record": { - "k_ij": 0.109383490358957 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "model_record": { - "k_ij": -0.0104541838085335 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "156-87-6", - "name": "3-amino-1-propanol", - "iupac_name": "3-aminopropan-1-ol", - "smiles": "NCCCO", - "inchi": "InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.3480045875013134 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.0286515511804856 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1708-29-8", - "name": "2,5-dihydrofuran", - "iupac_name": "2,5-dihydrofuran", - "smiles": "C1=CCOC1", - "inchi": "InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2" - }, - "model_record": { - "k_ij": 0.024589003640504 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "model_record": { - "k_ij": 0.0068931128110959 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-24-2", - "name": "3-chloro-1,2-propanediol", - "iupac_name": "3-chloropropane-1,2-diol", - "smiles": "OCC(O)CCl", - "inchi": "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2" - }, - "model_record": { - "k_ij": -0.0291871604691925 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "96-23-1", - "name": "1,3-dichloro-2-propanol", - "iupac_name": "1,3-dichloropropan-2-ol", - "smiles": "OC(CCl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2" - }, - "model_record": { - "k_ij": 0.2034626370635322 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-97-4", - "name": "diisopropanolamine (dipa)", - "iupac_name": "1-(2-hydroxypropylamino)propan-2-ol", - "smiles": "CC(O)CNCC(C)O", - "inchi": "InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0342111002643321 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "124-68-5", - "name": "2-amino-2-methyl-1-propanol (amp)", - "iupac_name": "2-amino-2-methylpropan-1-ol", - "smiles": "CC(C)(N)CO", - "inchi": "InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.020326588191722 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0651029560126515 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0284608846886783 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "1589-47-5", - "name": "2-methoxy-1-propanol", - "iupac_name": "2-methoxypropan-1-ol", - "smiles": "COC(C)CO", - "inchi": "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1434374314371018 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "model_record": { - "k_ij": 0.1016902484982818 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1765257487358586 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1277596543673522 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-18-9", - "name": "n,n,n',n'-tetramethyl ethylenediamine", - "iupac_name": "n,n,n',n'-tetramethylethane-1,2-diamine", - "smiles": "CN(C)CCN(C)C", - "inchi": "InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": -0.1048774957890455 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "110-95-2", - "name": "n,n,n',n'-tetramethyl-1,3-diamino propane", - "iupac_name": "n,n,n',n'-tetramethylpropane-1,3-diamine", - "smiles": "CN(C)CCCN(C)C", - "inchi": "InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0926849053792245 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "111-40-0", - "name": "diethylenetriamine", - "iupac_name": "n'-(2-aminoethyl)ethane-1,2-diamine", - "smiles": "NCCNCCN", - "inchi": "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" - }, - "model_record": { - "k_ij": -0.097987522834113 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0124059377310879 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "288-32-4", - "name": "1h-imidazole", - "iupac_name": "1h-imidazole", - "smiles": "c1c[nH]cn1", - "inchi": "InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0262039497859875 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "5500-21-0", - "name": "cyclopropyl cyanide", - "iupac_name": "cyclopropanecarbonitrile", - "smiles": "N#CC1CC1", - "inchi": "InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0193689240231388 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-55-7", - "name": "3-n,n-dimethylaminopropylamine", - "iupac_name": "n',n'-dimethylpropane-1,3-diamine", - "smiles": "CN(C)CCCN", - "inchi": "InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0108766414126781 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "109-01-3", - "name": "1-methylpiperazine", - "iupac_name": "1-methylpiperazine", - "smiles": "CN1CCNCC1", - "inchi": "InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0556202386668989 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "56-18-8", - "name": "bis(3-aminopropyl)amine", - "iupac_name": "n'-(3-aminopropyl)propane-1,3-diamine", - "smiles": "NCCCNCCCN", - "inchi": "InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2" - }, - "model_record": { - "k_ij": -0.9964396160850444 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "100-74-3", - "name": "4-ethylmorpholine", - "iupac_name": "4-ethylmorpholine", - "smiles": "CCN1CCOCC1", - "inchi": "InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0352704430844523 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "104-78-9", - "name": "n,n-diethyl-1,3-diaminopropane", - "iupac_name": "n',n'-diethylpropane-1,3-diamine", - "smiles": "CCN(CC)CCCN", - "inchi": "InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0326412136617282 - } - }, - { - "id1": { - "cas": "7732-18-5", - "name": "water", - "iupac_name": "oxidane", - "smiles": "O", - "inchi": "InChI=1S/H2O/h1H2" - }, - "id2": { - "cas": "24800-25-7", - "name": "tetrapropylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)COC(C)CO", - "inchi": "InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0900269825821819 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 1.3082191038860816e-05 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -1.1606926481268617e-05 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": -0.032454194456153 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0604883642969029 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0301279416640021 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0257092027917813 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0158487593875397 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0174751653167885 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0068899126294414 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0099098538631436 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0195266632755237 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0141548686391069 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0534927082077741 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0003773767737611 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": -0.00911083821845 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0246304123592635 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0324515979571962 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0106303590865572 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.01981718027945 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0250418354431888 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0255158069187209 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0171107722236883 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0037991511287416 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.0105470723093485 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0269296663372837 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0021243358294799 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1274617799423669 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0153394555624612 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0173659742382065 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.015914210194476 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": 0.0570733489013992 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0111639263183161 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "model_record": { - "k_ij": -0.0439028222782299 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.0223144240724717 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0011729397626599 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0109446286831546 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "106-73-0", - "name": "methyl heptanoate", - "iupac_name": "methyl heptanoate", - "smiles": "CCCCCCC(=O)OC", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0029202171506967 - } - }, - { - "id1": { - "cas": "108-38-3", - "name": "m-xylene", - "iupac_name": "1,3-xylene", - "smiles": "Cc1cccc(C)c1", - "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0582834274210363 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0043388400784952 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0020605515434404 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "model_record": { - "k_ij": 0.0237188826955864 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0621306496834498 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.005971301687713 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0280584281164367 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0004529395575409 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0078348797545375 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": 0.0107843878809678 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.023176577976401 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0177629727172964 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0147395002582783 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0758789093763376 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0044448035734239 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": -0.0141280270991724 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0363029875433834 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0005590210983913 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": -0.0029607733779163 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "model_record": { - "k_ij": 0.0185571139173391 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0009558488137046 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0262847347172226 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0017071273972539 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0115503932748973 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0327863957991768 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0258201701140131 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0115592859048568 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "model_record": { - "k_ij": 0.0854574150139103 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 5.528820114909273e-06 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.0034230250638371 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0232379718995058 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0071297817671974 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0012698597153489 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0186388500200538 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0235399745649605 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1240965217320423 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0161325971584572 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0204312699928131 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0834734555950549 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0035696278302352 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0067963881865939 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0036724196598795 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0078168775856603 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0119741070842954 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "model_record": { - "k_ij": -0.0193943844320371 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0079624237068119 - } - }, - { - "id1": { - "cas": "106-42-3", - "name": "p-xylene", - "iupac_name": "1,4-xylene", - "smiles": "Cc1ccc(C)cc1", - "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0552447526254464 - } - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0323606977738582 - } - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0302799640948251 - } - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0402438783432134 - } - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0341559670570688 - } - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.0192099557469242 - } - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": -0.0074104214663363 - } - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0347540998359786 - } - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": -0.0040423650600811 - } - }, - { - "id1": { - "cas": "79-24-3", - "name": "nitroethane", - "iupac_name": "1-nitroethane", - "smiles": "CC[N+](=O)[O-]", - "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0097722248891731 - } - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "model_record": { - "k_ij": 0.0150539097014001 - } - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": 0.0104939904276639 - } - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0867683649794174 - } - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.0011249018804689 - } - }, - { - "id1": { - "cas": "74-89-5", - "name": "methylamine", - "iupac_name": "methanamine", - "smiles": "CN", - "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0090964951371945 - } - }, - { - "id1": { - "cas": "124-40-3", - "name": "dimethylamine", - "iupac_name": "n-methylmethanamine", - "smiles": "CNC", - "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" - }, - "id2": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "model_record": { - "k_ij": 0.0498445522708738 - } - }, - { - "id1": { - "cas": "91-66-7", - "name": "n,n-diethylaniline", - "iupac_name": "n,n-diethylaniline", - "smiles": "CCN(CC)c1ccccc1", - "inchi": "InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0075128734220438 - } - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.00596389950787 - } - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "model_record": { - "k_ij": 0.0093065481414125 - } - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": -0.0034498840054384 - } - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1561227910105981 - } - }, - { - "id1": { - "cas": "96-41-3", - "name": "cyclopentanol", - "iupac_name": "cyclopentanol", - "smiles": "OC1CCCC1", - "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0161904654920035 - } - }, - { - "id1": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0019952612869237 - } - }, - { - "id1": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "model_record": { - "k_ij": 0.0154132720548916 - } - }, - { - "id1": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0137249850381286 - } - }, - { - "id1": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "smiles": "Fc1ccc(F)cc1", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "model_record": { - "k_ij": 0.0005666027125615 - } - }, - { - "id1": { - "cas": "462-06-6", - "name": "fluorobenzene", - "iupac_name": "fluorobenzene", - "smiles": "Fc1ccccc1", - "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" - }, - "id2": { - "cas": "591-50-4", - "name": "iodobenzene", - "iupac_name": "iodobenzene", - "smiles": "Ic1ccccc1", - "inchi": "InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H" - }, - "model_record": { - "k_ij": 0.0128626138053244 - } - }, - { - "id1": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "id2": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "model_record": { - "k_ij": -0.003482345502381 - } - }, - { - "id1": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "id2": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "model_record": { - "k_ij": 3.390813997505388e-05 - } - }, - { - "id1": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "id2": { - "cas": "124-70-9", - "name": "methyl vinyl dichlorosilane", - "iupac_name": "dichloro-ethenyl-methylsilane", - "smiles": "C=C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0023638212400217 - } - }, - { - "id1": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": 0.0053613806202048 - } - }, - { - "id1": { - "cas": "75-79-6", - "name": "methyltrichlorosilane", - "iupac_name": "trichloro(methyl)silane", - "smiles": "C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 3.829045693894895e-05 - } - }, - { - "id1": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "id2": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "model_record": { - "k_ij": -0.009433514325334 - } - }, - { - "id1": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "id2": { - "cas": "124-70-9", - "name": "methyl vinyl dichlorosilane", - "iupac_name": "dichloro-ethenyl-methylsilane", - "smiles": "C=C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0096164658329048 - } - }, - { - "id1": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "id2": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "model_record": { - "k_ij": -0.0083654325239169 - } - }, - { - "id1": { - "cas": "75-54-7", - "name": "methyldichlorosilane", - "iupac_name": "dichloro-methylsilane", - "smiles": "C[SiH](Cl)Cl", - "inchi": "InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.0068052163326084 - } - }, - { - "id1": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "id2": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "model_record": { - "k_ij": 0.0045800685600633 - } - }, - { - "id1": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -1.7594342264150657e-05 - } - }, - { - "id1": { - "cas": "75-77-4", - "name": "trimethylchlorosilane", - "iupac_name": "chloro(trimethyl)silane", - "smiles": "C[Si](C)(C)Cl", - "inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 3.309259533269362e-05 - } - }, - { - "id1": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0122662552709804 - } - }, - { - "id1": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.0066527015069117 - } - }, - { - "id1": { - "cas": "628-28-4", - "name": "methyl butyl ether", - "iupac_name": "1-methoxybutane", - "smiles": "CCCCOC", - "inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0033116201624022 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0394843959104477 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0788890782655452 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0368793265804306 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "model_record": { - "k_ij": -0.0618952311480974 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0580935047830627 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0245048021572151 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0657122013117432 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0443811880886431 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0105772256750508 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0108259352370455 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0367331422402775 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": -0.0240303813225167 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0232826200260564 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0372084511557876 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "107-19-7", - "name": "2-propyn-1-ol", - "iupac_name": "prop-2-yn-1-ol", - "smiles": "C#CCO", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" - }, - "model_record": { - "k_ij": 0.0416899461579014 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0131721121457699 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0364707953373057 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0043082076852825 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0089245643196782 - } - }, - { - "id1": { - "cas": "79-34-5", - "name": "1,1,2,2-tetrachloroethane", - "iupac_name": "1,1,2,2-tetrachloroethane", - "smiles": "ClC(Cl)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0803345084112016 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0024769898601322 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0076681736082373 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0260579150865837 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0027030467559478 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0042385302756134 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0013235141873975 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0042561016755349 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.007446548551359 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": -0.0034790748653344 - } - }, - { - "id1": { - "cas": "105-37-3", - "name": "propanoic acid ethyl ester", - "iupac_name": "ethyl propanoate", - "smiles": "CCOC(=O)CC", - "inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "624-54-4", - "name": "amyl propioanate", - "iupac_name": "pentyl propanoate", - "smiles": "CCCCCOC(=O)CC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0003255141618783 - } - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0022362887139407 - } - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0116853788397348 - } - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0667022506654687 - } - }, - { - "id1": { - "cas": "123-92-2", - "name": "isoamyl acetate", - "iupac_name": "3-methylbutyl acetate", - "smiles": "CC(=O)OCCC(C)C", - "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0049248718077842 - } - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0035493526091815 - } - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 1.1945415977563073e-05 - } - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0040656912018917 - } - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.006102056609092 - } - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0154167454286343 - } - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0043713158990695 - } - }, - { - "id1": { - "cas": "590-01-2", - "name": "propanoic acid butyl ester", - "iupac_name": "butyl propanoate", - "smiles": "CCCCOC(=O)CC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0183756129811081 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0776094636557866 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "model_record": { - "k_ij": -0.1089577916759248 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.132629444908588 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.070371108640093 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0951612871147865 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-04-7", - "name": "ethylamine", - "iupac_name": "ethanamine", - "smiles": "CCN", - "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0376311585916113 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "111-92-2", - "name": "dibutylamine", - "iupac_name": "n-butylbutan-1-amine", - "smiles": "CCCCNCCCC", - "inchi": "InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.2249468566530494 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.1905930169135205 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "model_record": { - "k_ij": 0.0404200603447322 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-31-0", - "name": "isopropylamine", - "iupac_name": "propan-2-amine", - "smiles": "CC(C)N", - "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0607436636127886 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-50-3", - "name": "trimethylamine", - "iupac_name": "n,n-dimethylmethanamine", - "smiles": "CN(C)C", - "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" - }, - "model_record": { - "k_ij": 0.1158582782342621 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "k_ij": -0.0274503354243536 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0514651338646163 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0162463794699177 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0752873717698281 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.1072512938235289 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": -0.0649615526544694 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0285140878153349 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0427644167531999 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": 0.067407804333891 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "model_record": { - "k_ij": 0.0370177995913626 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0273202497483161 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0036803365266929 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "111-40-0", - "name": "diethylenetriamine", - "iupac_name": "n'-(2-aminoethyl)ethane-1,2-diamine", - "smiles": "NCCNCCN", - "inchi": "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" - }, - "model_record": { - "k_ij": 0.0509733162929998 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0038255587170834 - } - }, - { - "id1": { - "cas": "7664-41-7", - "name": "ammonia", - "iupac_name": "azane", - "smiles": "N", - "inchi": "InChI=1S/H3N/h1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": 0.0630293146352085 - } - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0273539479692385 - } - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.012263841213685 - } - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.002649077130193 - } - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0202239244635042 - } - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.049364220991433 - } - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0238718160936647 - } - }, - { - "id1": { - "cas": "75-01-4", - "name": "vinyl chloride", - "iupac_name": "chloroethene", - "smiles": "C=CCl", - "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "model_record": { - "k_ij": -0.0020693528760498 - } - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0134444010743332 - } - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0037145592503306 - } - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.0268606244444425 - } - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0839175049284378 - } - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.004645449958305 - } - }, - { - "id1": { - "cas": "110-71-4", - "name": "1,2-dimethoxyethane", - "iupac_name": "1,2-dimethoxyethane", - "smiles": "COCCOC", - "inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0319024981444284 - } - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0033283740228508 - } - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0089744676473547 - } - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "model_record": { - "k_ij": 0.0048061775897369 - } - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0054320897365273 - } - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0031610210206579 - } - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 3.0224893909490728e-05 - } - }, - { - "id1": { - "cas": "507-20-0", - "name": "tert-butyl chloride", - "iupac_name": "2-chloro-2-methylpropane", - "smiles": "CC(C)(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3" - }, - "id2": { - "cas": "507-19-7", - "name": "tert-butyl bromide", - "iupac_name": "2-bromo-2-methylpropane", - "smiles": "CC(C)(C)Br", - "inchi": "InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3" - }, - "model_record": { - "k_ij": 0.0009837791882399 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0200841114798347 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0209438953010189 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0022459722568815 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.006635349948244 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0087414230256045 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0228903506676746 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.0007727125392403 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0341325023007753 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0779719834613912 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": 0.0645679780898151 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0041519166104174 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "76-12-0", - "name": "1,1,2,2-tetrachloro-1,2-difluoroethane [r112]", - "iupac_name": "1,1,2,2-tetrachloro-1,2-difluoroethane", - "smiles": "FC(Cl)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8" - }, - "model_record": { - "k_ij": 0.0087110827059398 - } - }, - { - "id1": { - "cas": "76-13-1", - "name": "1,1,2-trichloro-1,2,2-trifluoroethane [r113]", - "iupac_name": "1,1,2-trichloro-1,2,2-trifluoroethane", - "smiles": "FC(F)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" - }, - "id2": { - "cas": "661-97-2", - "name": "1,2-dichlorohexafluoropropane", - "iupac_name": "1,2-dichloro-1,1,2,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)C(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C3Cl2F6/c4-1(6,2(5,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": -1.610296689980915e-05 - } - }, - { - "id1": { - "cas": "111-49-9", - "name": "hexamethylene imine", - "iupac_name": "azepane", - "smiles": "C1CCCNCC1", - "inchi": "InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2" - }, - "id2": { - "cas": "124-09-4", - "name": "1,6-hexanediamine", - "iupac_name": "hexane-1,6-diamine", - "smiles": "NCCCCCCN", - "inchi": "InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2" - }, - "model_record": { - "k_ij": -0.0325504848891696 - } - }, - { - "id1": { - "cas": "765-43-5", - "name": "cyclopropyl methyl ketone", - "iupac_name": "1-cyclopropylethanone", - "smiles": "CC(=O)C1CC1", - "inchi": "InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3" - }, - "id2": { - "cas": "517-23-7", - "name": "2-acetylbutyrolactone", - "iupac_name": "3-acetyloxolan-2-one", - "smiles": "CC(=O)C1CCOC1=O", - "inchi": "InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0059608545877198 - } - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": 0.0563116750254836 - } - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.029449685545772 - } - }, - { - "id1": { - "cas": "123-39-7", - "name": "n-methylformamide", - "iupac_name": "n-methylformamide", - "smiles": "CN=CO", - "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "model_record": { - "k_ij": -0.0639553777798148 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "model_record": { - "k_ij": 0.0043851387533754 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0083635100160248 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0065344523345822 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0138983346953991 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0310004504017822 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0019846933313054 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0055800658345713 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0124211735318093 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0162711131953714 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0105818092263778 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": -0.0191896185375293 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0063351606055686 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0062029379935677 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0073915195709476 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0549246211720964 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0390761503453294 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": -0.1472570860479132 - } - }, - { - "id1": { - "cas": "127-19-5", - "name": "n,n-dimethylacetamide", - "iupac_name": "n,n-dimethylacetamide", - "smiles": "CC(=O)N(C)C", - "inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0769927579672526 - } - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "107-02-8", - "name": "acrolein", - "iupac_name": "prop-2-enal", - "smiles": "C=CC=O", - "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" - }, - "model_record": { - "k_ij": 0.002628519840945 - } - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": -0.0378692236867079 - } - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0554058586635956 - } - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0920707771358496 - } - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.06532798406579 - } - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.005070238452346 - } - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": -0.1114861522444666 - } - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "1656-48-0", - "name": "3,3'-oxybispropionitrile", - "iupac_name": "3-(2-cyanoethoxy)propanenitrile", - "smiles": "N#CCCOCCC#N", - "inchi": "InChI=1S/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2" - }, - "model_record": { - "k_ij": -0.0783176523521395 - } - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0802808074470127 - } - }, - { - "id1": { - "cas": "107-13-1", - "name": "acrylonitrile", - "iupac_name": "prop-2-enenitrile", - "smiles": "C=CC#N", - "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "model_record": { - "k_ij": -0.0271500181432121 - } - }, - { - "id1": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0203003563829538 - } - }, - { - "id1": { - "cas": "56-81-5", - "name": "glycerol", - "iupac_name": "propane-1,2,3-triol", - "smiles": "OCC(O)CO", - "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1215385813620142 - } - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": -0.016475722802464 - } - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.036517753464131 - } - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "97-88-1", - "name": "methacrylic acid, butyl ester", - "iupac_name": "butyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OCCCC", - "inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" - }, - "model_record": { - "k_ij": -0.0197530797422826 - } - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0325893513198782 - } - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0432623884486518 - } - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "model_record": { - "k_ij": 0.0070596950632483 - } - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "model_record": { - "k_ij": -0.045424915509379 - } - }, - { - "id1": { - "cas": "79-41-4", - "name": "methacrylic acid", - "iupac_name": "2-methylprop-2-enoic acid", - "smiles": "C=C(C)C(=O)O", - "inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" - }, - "id2": { - "cas": "78-85-3", - "name": "methacrolein", - "iupac_name": "2-methylprop-2-enal", - "smiles": "C=C(C)C=O", - "inchi": "InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.024551012646068 - } - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0294764633273839 - } - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0359320754252242 - } - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0041210590745844 - } - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.0036175156484668 - } - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "542-10-9", - "name": "1,1-ethanediol diacetate", - "iupac_name": "1-acetyloxyethyl acetate", - "smiles": "CC(=O)OC(C)OC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3" - }, - "model_record": { - "k_ij": -0.008261547104253 - } - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0065096160453411 - } - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.011515878984896 - } - }, - { - "id1": { - "cas": "108-24-7", - "name": "acetic anhydride", - "iupac_name": "acetyl acetate", - "smiles": "CC(=O)OC(C)=O", - "inchi": "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.0380204358835435 - } - }, - { - "id1": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0436791015720899 - } - }, - { - "id1": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.049726212776675 - } - }, - { - "id1": { - "cas": "115-18-4", - "name": "2-methyl-3-buten-2-ol", - "iupac_name": "2-methylbut-3-en-2-ol", - "smiles": "C=CC(C)(C)O", - "inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "model_record": { - "k_ij": 0.0236687235296699 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0262869508012064 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0067046032954215 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0102665900092201 - } - }, - { - "id1": { - "cas": "107-92-6", - "name": "butyric acid", - "iupac_name": "butanoic acid", - "smiles": "CCCC(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0023618985814305 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "model_record": { - "k_ij": -0.0579599863465389 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0455275947956299 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0237900614835781 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "model_record": { - "k_ij": 0.0706512631552758 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "model_record": { - "k_ij": 0.0715710858720064 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0023371135244088 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "57-11-4", - "name": "stearic acid", - "iupac_name": "octadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" - }, - "model_record": { - "k_ij": -0.0167671819017066 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "124-07-2", - "name": "caprylic acid", - "iupac_name": "octanoic acid", - "smiles": "CCCCCCCC(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" - }, - "model_record": { - "k_ij": -0.0767150332819645 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0112621905558696 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0230585528322705 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 2.5178518175919584e-05 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0101498055121984 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "model_record": { - "k_ij": -0.0589802518436893 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0100285004472048 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": 0.014971433727461 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -9.025962150125342e-06 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "model_record": { - "k_ij": 0.0878624674284277 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0081958925626939 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0077464080097601 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0184178147923524 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0205843307279648 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "334-48-5", - "name": "capric acid", - "iupac_name": "decanoic acid", - "smiles": "CCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" - }, - "model_record": { - "k_ij": -0.1042580775525993 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0091266055510586 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0465160668120551 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.0270897354634141 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0335348460533703 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0262756849218214 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": 0.0184285504153362 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0172773165426925 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.028917263561533 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "91-17-8", - "name": "decalin ", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CCC2CCCCC2C1", - "inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" - }, - "model_record": { - "k_ij": 0.0194187372523995 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0487245774166864 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "model_record": { - "k_ij": 0.0352904869128424 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0045327241512427 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.1196579133096245 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "model_record": { - "k_ij": 0.0168583794808977 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1248595752675637 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": -0.0055067688569285 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0184504968997715 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0124994136834887 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0056525952007608 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0363002847914994 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.04553839246074 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.110705854646365 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0108614090198748 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0953231313146065 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0900847342049293 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0867185615598719 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.100042387016209 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": 0.0867181873862455 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "model_record": { - "k_ij": -0.0047980679806882 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-37-8", - "name": "undecanoic acid", - "iupac_name": "undecanoic acid", - "smiles": "CCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)" - }, - "model_record": { - "k_ij": -0.0874016821707127 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "1678-92-8", - "name": "n-propyl cyclohexane", - "iupac_name": "propylcyclohexane", - "smiles": "CCCC1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.017250047833208 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "108-98-5", - "name": "benzenethiol", - "iupac_name": "benzenethiol", - "smiles": "Sc1ccccc1", - "inchi": "InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H" - }, - "model_record": { - "k_ij": 0.0191234312166846 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-19-4", - "name": "cyclopropane", - "iupac_name": "cyclopropane", - "smiles": "C1CC1", - "inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0005618245134031 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "109-79-5", - "name": "n-butylmercaptan", - "iupac_name": "butane-1-thiol", - "smiles": "CCCCS", - "inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0168250705002468 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "model_record": { - "k_ij": 0.0473219143743357 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "463-49-0", - "name": "propadiene", - "iupac_name": "propa-1,2-diene", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0187206835000125 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.1039730099310692 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0875219853473973 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "75-66-1", - "name": "2-methyl-2-propanethiol", - "iupac_name": "2-methylpropane-2-thiol", - "smiles": "CC(C)(C)S", - "inchi": "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.021618119793107 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.0843467561968172 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0246628866238758 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "540-63-6", - "name": "1,2-ethanedithiol", - "iupac_name": "ethane-1,2-dithiol", - "smiles": "SCCS", - "inchi": "InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0471688533050019 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0782918730951106 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "519-73-3", - "name": "triphenylmethane", - "iupac_name": "benzhydrylbenzene", - "smiles": "c1ccc(C(c2ccccc2)c2ccccc2)cc1", - "inchi": "InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H" - }, - "model_record": { - "k_ij": 0.0006578182125929 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "1191-95-3", - "name": "cyclobutanone", - "iupac_name": "cyclobutanone", - "smiles": "O=C1CCC1", - "inchi": "InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2" - }, - "model_record": { - "k_ij": 0.0143416205067455 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": 0.0846926748632969 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "FC(F)C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "model_record": { - "k_ij": 0.0908230713595248 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "112-55-0", - "name": "n-dodecyl mercaptan", - "iupac_name": "dodecane-1-thiol", - "smiles": "CCCCCCCCCCCCS", - "inchi": "InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": 0.0004503666836635 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": 0.0577716187469881 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0680756945853261 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "29118-25-0", - "name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C\\C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1-" - }, - "model_record": { - "k_ij": 0.0809485551028421 - } - }, - { - "id1": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0718907086381442 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0059383850461052 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0064055765183696 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0136507116834899 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0015794789146364 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0280313074260417 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0004374894303918 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0085956460595516 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0058324726380524 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.003713527911491 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.0031344214886834 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0023973988673979 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0314539920583328 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0048226812571487 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0207520995270656 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0027934793340357 - } - }, - { - "id1": { - "cas": "109-60-4", - "name": "propyl acetate", - "iupac_name": "propyl acetate", - "smiles": "CCCOC(C)=O", - "inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0039241707763639 - } - }, - { - "id1": { - "cas": "57-10-3", - "name": "palmitic acid", - "iupac_name": "hexadecanoic acid", - "smiles": "CCCCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" - }, - "id2": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "model_record": { - "k_ij": 0.0080809588157882 - } - }, - { - "id1": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "id2": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0279884008407497 - } - }, - { - "id1": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": -0.0038164793369608 - } - }, - { - "id1": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0150534554045322 - } - }, - { - "id1": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0418788623305045 - } - }, - { - "id1": { - "cas": "109-73-9", - "name": "butylamine", - "iupac_name": "butan-1-amine", - "smiles": "CCCCN", - "inchi": "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" - }, - "id2": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0067954365073918 - } - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "model_record": { - "k_ij": 0.0066733216441154 - } - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": -0.0282581587649733 - } - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0395131534763027 - } - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "111-69-3", - "name": "1,4-dicyanobutane", - "iupac_name": "hexanedinitrile", - "smiles": "N#CCCCCC#N", - "inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2" - }, - "model_record": { - "k_ij": 0.0091511971278266 - } - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": -0.0006100452520217 - } - }, - { - "id1": { - "cas": "120-92-3", - "name": "cyclopentanone", - "iupac_name": "cyclopentanone", - "smiles": "O=C1CCCC1", - "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0241641247832223 - } - }, - { - "id1": { - "cas": "112-80-1", - "name": "oleic acid", - "iupac_name": "(z)-octadec-9-enoic acid", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", - "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0031215693119775 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0221586040706616 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "model_record": { - "k_ij": 0.01808260883471 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "model_record": { - "k_ij": 0.0419567787905091 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0067560307371558 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.028730150107864 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.0283870328072095 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-43-4", - "name": "dichlorofluoromethane [r21]", - "iupac_name": "dichloro(fluoro)methane", - "smiles": "FC(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0028274543406681 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.065101147875157 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0757999765009241 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0079925648575227 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0199338520531797 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.008388428821485 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.049670045539194 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0063702369311703 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": -0.0038925109416836 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -2.160868352200792e-05 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0470304393769383 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0124016266661997 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0096663384101657 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0157753762577771 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": -0.0051919459095757 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0041822253903917 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0295618219662341 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0495494534576586 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": 0.0460431406413647 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0085844247561021 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "374-07-2", - "name": "1,1-dichloro tetrafluoro ethane [r114a]", - "iupac_name": "1,1-dichloro-1,2,2,2-tetrafluoroethane", - "smiles": "FC(F)(F)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0281128954359199 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0755331364868902 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0064737218576934 - } - }, - { - "id1": { - "cas": "75-45-6", - "name": "chlorodifluoromethane [r22]", - "iupac_name": "chloro(difluoro)methane", - "smiles": "FC(F)Cl", - "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H" - }, - "id2": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0089001968530209 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "model_record": { - "k_ij": 0.0195749119565976 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "model_record": { - "k_ij": 0.025705798069875 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0243440405945914 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.0057557995493796 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 3.630140975110615e-05 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0327100726469917 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0758550077552828 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": -0.0173214699400913 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.012387581514809 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0120892967670548 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0612411720128793 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0546921998873372 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0069749509380537 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -2.7469997735049484e-05 - } - }, - { - "id1": { - "cas": "75-71-8", - "name": "dichlorodifluoromethane [r12]", - "iupac_name": "dichloro(difluoro)methane", - "smiles": "FC(F)(Cl)Cl", - "inchi": "InChI=1S/CCl2F2/c2-1(3,4)5" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0430903932094333 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "model_record": { - "k_ij": 0.0020527192165004 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0749603233943413 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0494142612117775 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0471777859794566 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0813151507343652 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0573717909929652 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0178603297444081 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "smiles": "FC(F)=C(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0015898816748946 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0285649168256211 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "model_record": { - "k_ij": 1.4921314681072212e-05 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": 0.012315997446155 - } - }, - { - "id1": { - "cas": "116-15-4", - "name": "perfluoropropylene", - "iupac_name": "1,1,2,3,3,3-hexafluoroprop-1-ene", - "smiles": "FC(F)=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0088005369712607 - } - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "75-43-4", - "name": "dichlorofluoromethane [r21]", - "iupac_name": "dichloro(fluoro)methane", - "smiles": "FC(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0522553182861536 - } - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0163476211959797 - } - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": -0.0212148453207585 - } - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "smiles": "FC(F)=C(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0008302864378201 - } - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.043072673224698 - } - }, - { - "id1": { - "cas": "115-25-3", - "name": "perfluorocyclobutane [rc318]", - "iupac_name": "1,1,2,2,3,3,4,4-octafluorocyclobutane", - "smiles": "FC1(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "model_record": { - "k_ij": -0.0062521151775863 - } - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0032366229887642 - } - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "112-63-0", - "name": "(z,z)-9,12-octadecadienoic acid methyl ester", - "iupac_name": "methyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-" - }, - "model_record": { - "k_ij": 0.0082249247024814 - } - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0007021372863333 - } - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0069831598145724 - } - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" - }, - "model_record": { - "k_ij": -0.0039771102959262 - } - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0051109596989143 - } - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.035643974404742 - } - }, - { - "id1": { - "cas": "124-10-7", - "name": "tetradecanoic acid methyl ester", - "iupac_name": "methyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0017241656904246 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "model_record": { - "k_ij": -0.0297524260424567 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0105403830600393 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.012668278494634 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "model_record": { - "k_ij": -0.0345623833583165 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0179296492325132 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0094075627745667 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "model_record": { - "k_ij": -0.0316668512366238 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0369706702246127 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.1388993465053511 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": -0.0051263059502887 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0191904978541191 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0697836892469872 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0336147984062257 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": 0.0305132309306165 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "591-24-2", - "name": "3-methylcyclohexanone", - "iupac_name": "3-methylcyclohexan-1-one", - "smiles": "CC1CCCC(=O)C1", - "inchi": "InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0125738809253971 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "589-92-4", - "name": "4-methylcyclohexanone", - "iupac_name": "4-methylcyclohexan-1-one", - "smiles": "CC1CCC(=O)CC1", - "inchi": "InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0131245168078867 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.0018904811944489 - } - }, - { - "id1": { - "cas": "108-94-1", - "name": "cyclohexanone", - "iupac_name": "cyclohexanone", - "smiles": "O=C1CCCCC1", - "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" - }, - "id2": { - "cas": "930-68-7", - "name": "2-cyclohexen-1-one", - "iupac_name": "cyclohex-2-en-1-one", - "smiles": "O=C1C=CCCC1", - "inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2" - }, - "model_record": { - "k_ij": -0.0018709964899885 - } - }, - { - "id1": { - "cas": "105-60-2", - "name": "epsilon-caprolactam", - "iupac_name": "azepan-2-one", - "smiles": "OC1=NCCCCC1", - "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" - }, - "id2": { - "cas": "1187-58-2", - "name": "n-methyl propanamide", - "iupac_name": "n-methylpropanamide", - "smiles": "CCC(O)=NC", - "inchi": "InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0067778073483398 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0672895693942902 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": -0.0123779805350101 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0029075103429216 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0324580266917118 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0130866906208543 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "827-52-1", - "name": "phenylcyclohexane", - "iupac_name": "cyclohexylbenzene", - "smiles": "c1ccc(C2CCCCC2)cc1", - "inchi": "InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2" - }, - "model_record": { - "k_ij": 0.0031013250686473 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.0581983510685717 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0322904962724568 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0234841467120317 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0029595666622751 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1301384077466365 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0127648655680259 - } - }, - { - "id1": { - "cas": "108-93-0", - "name": "cyclohexanol", - "iupac_name": "cyclohexanol", - "smiles": "OC1CCCCC1", - "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" - }, - "id2": { - "cas": "930-68-7", - "name": "2-cyclohexen-1-one", - "iupac_name": "cyclohex-2-en-1-one", - "smiles": "O=C1C=CCCC1", - "inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2" - }, - "model_record": { - "k_ij": -0.0417681888510891 - } - }, - { - "id1": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "112-63-0", - "name": "(z,z)-9,12-octadecadienoic acid methyl ester", - "iupac_name": "methyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-" - }, - "model_record": { - "k_ij": 0.0029542247111938 - } - }, - { - "id1": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "112-61-8", - "name": "octadecanoic acid methyl ester", - "iupac_name": "methyl octadecanoate", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3" - }, - "model_record": { - "k_ij": 0.009029204656705 - } - }, - { - "id1": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.105347516830313 - } - }, - { - "id1": { - "cas": "112-39-0", - "name": "hexadecanoic acid methyl ester", - "iupac_name": "methyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.000501271338651 - } - }, - { - "id1": { - "cas": "108-47-4", - "name": "2,4-dimethylpyridine", - "iupac_name": "2,4-dimethylpyridine", - "smiles": "Cc1ccnc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0024711171174233 - } - }, - { - "id1": { - "cas": "108-47-4", - "name": "2,4-dimethylpyridine", - "iupac_name": "2,4-dimethylpyridine", - "smiles": "Cc1ccnc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0173349695781333 - } - }, - { - "id1": { - "cas": "108-47-4", - "name": "2,4-dimethylpyridine", - "iupac_name": "2,4-dimethylpyridine", - "smiles": "Cc1ccnc(C)c1", - "inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0151690968066411 - } - }, - { - "id1": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0103598819376735 - } - }, - { - "id1": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0058696430787053 - } - }, - { - "id1": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "id2": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "model_record": { - "k_ij": 0.0274410729817928 - } - }, - { - "id1": { - "cas": "109-67-1", - "name": "1-pentene", - "iupac_name": "pent-1-ene", - "smiles": "C=CCCC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.110112899094019 - } - }, - { - "id1": { - "cas": "75-94-5", - "name": "trichlorovinylsilane", - "iupac_name": "trichloro(ethenyl)silane", - "smiles": "C=C[Si](Cl)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl3Si/c1-2-6(3,4)5/h2H,1H2" - }, - "id2": { - "cas": "124-70-9", - "name": "methyl vinyl dichlorosilane", - "iupac_name": "dichloro-ethenyl-methylsilane", - "smiles": "C=C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0037598460201267 - } - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0129186730253448 - } - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0182797954722735 - } - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0331842535060877 - } - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0042510949925639 - } - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0533170661340684 - } - }, - { - "id1": { - "cas": "80-62-6", - "name": "methacrylic acid methyl ester", - "iupac_name": "methyl 2-methylprop-2-enoate", - "smiles": "C=C(C)C(=O)OC", - "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" - }, - "id2": { - "cas": "2110-78-3", - "name": "alpha-hydroxy-isobutyric acid methyl ester", - "iupac_name": "methyl 2-hydroxy-2-methylpropanoate", - "smiles": "COC(=O)C(C)(C)O", - "inchi": "InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3" - }, - "model_record": { - "k_ij": -0.0601280870901429 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "model_record": { - "k_ij": 3.3927532913477164e-05 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0105814501140354 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0540701671113055 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "model_record": { - "k_ij": 0.0063554815594833 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "359-70-6", - "name": "perfluorotriethylamine", - "iupac_name": "1,1,2,2,2-pentafluoro-n,n-bis(1,1,2,2,2-pentafluoroethyl)ethanamine", - "smiles": "FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15" - }, - "model_record": { - "k_ij": 0.077707354792578 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0111663323158065 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "627-19-0", - "name": "1-pentyne", - "iupac_name": "pent-1-yne", - "smiles": "C#CCCC", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3" - }, - "model_record": { - "k_ij": 0.0105215478882176 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.007666080385336 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0046052368219645 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0071853741078878 - } - }, - { - "id1": { - "cas": "513-35-9", - "name": "2-methyl-2-butene", - "iupac_name": "2-methylbut-2-ene", - "smiles": "CC=C(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1189728997226014 - } - }, - { - "id1": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0025420554915764 - } - }, - { - "id1": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0019441515488547 - } - }, - { - "id1": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "id2": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "model_record": { - "k_ij": 0.0279647159074272 - } - }, - { - "id1": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "id2": { - "cas": "503-17-3", - "name": "2-butyne", - "iupac_name": "but-2-yne", - "smiles": "CC#CC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.016162942313368 - } - }, - { - "id1": { - "cas": "563-46-2", - "name": "2-methyl-1-butene", - "iupac_name": "2-methylbut-1-ene", - "smiles": "C=C(C)CC", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0056562428330041 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0143851902969089 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0902852992667881 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0107334292607756 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.0368549695444248 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 2.8208124931243927e-05 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0770944576270841 - } - }, - { - "id1": { - "cas": "123-51-3", - "name": "3-methyl-1-butanol", - "iupac_name": "3-methylbutan-1-ol", - "smiles": "CC(C)CCO", - "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "19329-89-6", - "name": "isoamyl lactate", - "iupac_name": "3-methylbutyl 2-hydroxypropanoate", - "smiles": "CC(C)CCOC(=O)C(C)O", - "inchi": "InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0463752071784849 - } - }, - { - "id1": { - "cas": "142-62-1", - "name": "hexanoic acid", - "iupac_name": "hexanoic acid", - "smiles": "CCCCCC(=O)O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" - }, - "id2": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "model_record": { - "k_ij": 0.0007715230961225 - } - }, - { - "id1": { - "cas": "124-07-2", - "name": "caprylic acid", - "iupac_name": "octanoic acid", - "smiles": "CCCCCCCC(=O)O", - "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" - }, - "id2": { - "cas": "334-48-5", - "name": "capric acid", - "iupac_name": "decanoic acid", - "smiles": "CCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" - }, - "model_record": { - "k_ij": 0.0046296836313856 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0716049978032458 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.051895812135745 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0163314605411684 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0020967239238028 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.022489313842083 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0210681374701875 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "model_record": { - "k_ij": 0.0244515379886476 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0199492268936998 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "611-14-3", - "name": "1-ethyl-2-methylbenzene", - "iupac_name": "1-ethyl-2-methylbenzene", - "smiles": "CCc1ccccc1C", - "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0207466671361481 - } - }, - { - "id1": { - "cas": "110-80-5", - "name": "2-ethoxyethanol", - "iupac_name": "2-ethoxyethanol", - "smiles": "CCOCCO", - "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-69-8", - "name": "1-iodobutane", - "iupac_name": "1-iodobutane", - "smiles": "CCCCI", - "inchi": "InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0230523097152931 - } - }, - { - "id1": { - "cas": "78-81-9", - "name": "2-methylpropylamine", - "iupac_name": "2-methylpropan-1-amine", - "smiles": "CC(C)CN", - "inchi": "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0097197298867282 - } - }, - { - "id1": { - "cas": "98-00-0", - "name": "furfuryl alcohol", - "iupac_name": "furan-2-ylmethanol", - "smiles": "OCc1ccco1", - "inchi": "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0109227964597262 - } - }, - { - "id1": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.1818546563570576 - } - }, - { - "id1": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": -0.05931840256343 - } - }, - { - "id1": { - "cas": "105-67-9", - "name": "2,4-dimethylphenol", - "iupac_name": "2,4-dimethylphenol", - "smiles": "Cc1ccc(O)c(C)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1184490090781011 - } - }, - { - "id1": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "smiles": "Cc1cc(C)cc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "model_record": { - "k_ij": -0.0578098803805659 - } - }, - { - "id1": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "smiles": "Cc1cc(C)cc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "95-87-4", - "name": "2,5-dimethylphenol", - "iupac_name": "2,5-dimethylphenol", - "smiles": "Cc1ccc(C)c(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3" - }, - "model_record": { - "k_ij": -0.065467021121287 - } - }, - { - "id1": { - "cas": "108-68-9", - "name": "3,5-dimethylphenol", - "iupac_name": "3,5-dimethylphenol", - "smiles": "Cc1cc(C)cc(O)c1", - "inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" - }, - "id2": { - "cas": "95-65-8", - "name": "3,4-dimethylphenol", - "iupac_name": "3,4-dimethylphenol", - "smiles": "Cc1ccc(O)cc1C", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" - }, - "model_record": { - "k_ij": -0.0180024988636066 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "75-00-3", - "name": "chloroethane", - "iupac_name": "chloroethane", - "smiles": "CCCl", - "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0126451131857458 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "29911-28-2", - "name": "dipropylene glycol butyl ether", - "iupac_name": "1-(1-butoxypropan-2-yloxy)propan-2-ol", - "smiles": "CCCCOCC(C)OCC(C)O", - "inchi": "InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0082040245762073 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0179189517197416 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0625895565842139 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0329468425460684 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "model_record": { - "k_ij": 0.0810493215323692 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "1589-47-5", - "name": "2-methoxy-1-propanol", - "iupac_name": "2-methoxypropan-1-ol", - "smiles": "COC(C)CO", - "inchi": "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0498650927799807 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0003727494532836 - } - }, - { - "id1": { - "cas": "57-55-6", - "name": "1,2-propanediol", - "iupac_name": "propane-1,2-diol", - "smiles": "CC(O)CO", - "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" - }, - "id2": { - "cas": "24800-25-7", - "name": "tetrapropylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)COC(C)CO", - "inchi": "InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0509473439562258 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0155870721801315 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0029964476674885 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0179159110076507 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.0099756882930302 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0085191868317374 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0146836475204548 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "k_ij": -0.0342023737777228 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0051097981184183 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0116897595655932 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "563-78-0", - "name": "2,3-dimethyl-1-butene", - "iupac_name": "2,3-dimethylbut-1-ene", - "smiles": "C=C(C)C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3" - }, - "model_record": { - "k_ij": 0.0037755569655876 - } - }, - { - "id1": { - "cas": "110-02-1", - "name": "thiophene", - "iupac_name": "thiophene", - "smiles": "c1ccsc1", - "inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0069543108883716 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.016599244470273 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0905012194928177 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "model_record": { - "k_ij": -0.0636254660468866 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0133889392556058 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": -0.0459050871084929 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0004085965832623 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "2004-70-8", - "name": "trans-1,3-pentadiene", - "iupac_name": "(3e)-penta-1,3-diene", - "smiles": "C=C/C=C/C", - "inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+" - }, - "model_record": { - "k_ij": -0.0255835667650152 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": -0.0372967576142536 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "model_record": { - "k_ij": -0.0133905626302071 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0789333609613681 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": -0.0054446585187143 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "model_record": { - "k_ij": -0.0252254928731037 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "k_ij": -0.1230149403125087 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "76-37-9", - "name": "2,2,3,3-tetrafluoro-1-propanol", - "iupac_name": "2,2,3,3-tetrafluoropropan-1-ol", - "smiles": "OCC(F)(F)C(F)F", - "inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2" - }, - "model_record": { - "k_ij": -0.0084472915238675 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0114626676876572 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": 0.0071651389433654 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "model_record": { - "k_ij": -0.0136321432434354 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0024695570144668 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": -0.0360737139353282 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.018527235886015 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0038783853295947 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0197844328456304 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.1890887572422956 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0378398388064646 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0017169596904053 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": -0.1190564647631833 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": -0.2024579033015519 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0403973039767452 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.1496560405462795 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0488118046809536 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "model_record": { - "k_ij": -0.0543513386513395 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0084711165596718 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0408983524647684 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0569223417630177 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0503917705167683 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "29171-20-8", - "name": "3,7-dimethyl-6-octen-1-yn-3-ol", - "iupac_name": "3,7-dimethyloct-6-en-1-yn-3-ol", - "smiles": "C#CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3" - }, - "model_record": { - "k_ij": -0.1796117964958918 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": -0.0901344372567648 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0712112827393992 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.0434151234230505 - } - }, - { - "id1": { - "cas": "872-50-4", - "name": "n-methyl-2-pyrrolidone", - "iupac_name": "1-methylpyrrolidin-2-one", - "smiles": "CN1CCCC1=O", - "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0481039987911197 - } - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0104386659288401 - } - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0079970341738129 - } - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": -0.0106027456583325 - } - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0527570186361165 - } - }, - { - "id1": { - "cas": "96-22-0", - "name": "3-pentanone", - "iupac_name": "pentan-3-one", - "smiles": "CCC(=O)CC", - "inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "110-56-5", - "name": "1,4-dichlorobutane", - "iupac_name": "1,4-dichlorobutane", - "smiles": "ClCCCCCl", - "inchi": "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" - }, - "model_record": { - "k_ij": -0.0067849408214481 - } - }, - { - "id1": { - "cas": "589-38-8", - "name": "3-hexanone", - "iupac_name": "hexan-3-one", - "smiles": "CCCC(=O)CC", - "inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0053276005131285 - } - }, - { - "id1": { - "cas": "123-19-3", - "name": "4-heptanone", - "iupac_name": "heptan-4-one", - "smiles": "CCCC(=O)CCC", - "inchi": "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0192969175733163 - } - }, - { - "id1": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0141802376267407 - } - }, - { - "id1": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0271136498408468 - } - }, - { - "id1": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0013116238464688 - } - }, - { - "id1": { - "cas": "592-84-7", - "name": "formic acid butyl ester", - "iupac_name": "butyl formate", - "smiles": "CCCCOC=O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0243011271640498 - } - }, - { - "id1": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "id2": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "model_record": { - "k_ij": -0.0044850250416211 - } - }, - { - "id1": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "id2": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "model_record": { - "k_ij": 0.011706720236838 - } - }, - { - "id1": { - "cas": "534-22-5", - "name": "2-methylfuran", - "iupac_name": "2-methylfuran", - "smiles": "Cc1ccco1", - "inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "id2": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0142021395588103 - } - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0713606651771836 - } - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0755429967625507 - } - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0044880790127953 - } - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0006587403696786 - } - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0171513306699648 - } - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0040738206844417 - } - }, - { - "id1": { - "cas": "107-31-3", - "name": "methyl formate", - "iupac_name": "methyl formate", - "smiles": "COC=O", - "inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0942096796897035 - } - }, - { - "id1": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0848877826715752 - } - }, - { - "id1": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0075178505728089 - } - }, - { - "id1": { - "cas": "79-16-3", - "name": "n-methylacetamide", - "iupac_name": "n-methylacetamide", - "smiles": "CN=C(C)O", - "inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.0152991633437626 - } - }, - { - "id1": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": -0.0023509354324561 - } - }, - { - "id1": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": -0.0055946564532898 - } - }, - { - "id1": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.073827251484988 - } - }, - { - "id1": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0046448106910624 - } - }, - { - "id1": { - "cas": "96-47-9", - "name": "2-methyltetrahydrofuran", - "iupac_name": "2-methyloxolane", - "smiles": "CC1CCCO1", - "inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0425720041251779 - } - }, - { - "id1": { - "cas": "79-11-8", - "name": "chloroacetic acid", - "iupac_name": "2-chloroacetic acid", - "smiles": "O=C(O)CCl", - "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" - }, - "id2": { - "cas": "79-43-6", - "name": "dichloroacetic acid", - "iupac_name": "2,2-dichloroacetic acid", - "smiles": "O=C(O)C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" - }, - "model_record": { - "k_ij": -0.1334794970940591 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0196925970300294 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": -0.0010032575789625 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0150276699282982 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0120874192729119 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "k_ij": -0.0490319046456118 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "model_record": { - "k_ij": 0.0115360131312275 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0341895680341987 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 6.632298882242902 - } - }, - { - "id1": { - "cas": "111-27-3", - "name": "1-hexanol", - "iupac_name": "hexan-1-ol", - "smiles": "CCCCCCO", - "inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": -0.0067221263161675 - } - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0419020231425051 - } - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0019796078515317 - } - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0366783375362289 - } - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "696-29-7", - "name": "isopropylcyclohexane", - "iupac_name": "propan-2-ylcyclohexane", - "smiles": "CC(C)C1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.054524636464035 - } - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "model_record": { - "k_ij": 0.0151581563749678 - } - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.005414292212538 - } - }, - { - "id1": { - "cas": "392-56-3", - "name": "hexafluorobenzene", - "iupac_name": "1,2,3,4,5,6-hexafluorobenzene", - "smiles": "Fc1c(F)c(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0667813469418444 - } - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0192650307491427 - } - }, - { - "id1": { - "cas": "79-10-7", - "name": "acrylic acid", - "iupac_name": "prop-2-enoic acid", - "smiles": "C=CC(=O)O", - "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "model_record": { - "k_ij": -0.0253756978633692 - } - }, - { - "id1": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.004377332392603 - } - }, - { - "id1": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "id2": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": -0.0160262808560176 - } - }, - { - "id1": { - "cas": "108-91-8", - "name": "cyclohexylamine", - "iupac_name": "cyclohexanamine", - "smiles": "NC1CCCCC1", - "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0248466860658632 - } - }, - { - "id1": { - "cas": "335-57-9", - "name": "perfluoro-n-heptane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0275014214325025 - } - }, - { - "id1": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0087406623064204 - } - }, - { - "id1": { - "cas": "565-59-3", - "name": "2,3-dimethylpentane", - "iupac_name": "2,3-dimethylpentane", - "smiles": "CCC(C)C(C)C", - "inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0074518240018406 - } - }, - { - "id1": { - "cas": "311-89-7", - "name": "perfluorotributylamine", - "iupac_name": "1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33" - }, - "id2": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "model_record": { - "k_ij": 0.0038638759646279 - } - }, - { - "id1": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "id2": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "model_record": { - "k_ij": -0.0096088179494625 - } - }, - { - "id1": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "id2": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0848262926125385 - } - }, - { - "id1": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0207777719229207 - } - }, - { - "id1": { - "cas": "79-31-2", - "name": "2-methylpropanoic acid", - "iupac_name": "2-methylpropanoic acid", - "smiles": "CC(C)C(=O)O", - "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.058462240759084 - } - }, - { - "id1": { - "cas": "107-41-5", - "name": "2-methyl-2,4-pentanediol", - "iupac_name": "2-methylpentane-2,4-diol", - "smiles": "CC(O)CC(C)(C)O", - "inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" - }, - "id2": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "model_record": { - "k_ij": -0.0325858842345025 - } - }, - { - "id1": { - "cas": "107-41-5", - "name": "2-methyl-2,4-pentanediol", - "iupac_name": "2-methylpentane-2,4-diol", - "smiles": "CC(O)CC(C)(C)O", - "inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.011330853781609 - } - }, - { - "id1": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "id2": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0188640481874824 - } - }, - { - "id1": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "id2": { - "cas": "123-63-7", - "name": "2,4,6-trimethyl-1,3,5-trioxane", - "iupac_name": "2,4,6-trimethyl-1,3,5-trioxane", - "smiles": "CC1OC(C)OC(C)O1", - "inchi": "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0181479847327039 - } - }, - { - "id1": { - "cas": "4170-30-3", - "name": "crotonaldehyde", - "iupac_name": "(e)-but-2-enal", - "smiles": "CC=CC=O", - "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0122353444501831 - } - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "1459-93-4", - "name": "1,3-benzenedicarboxylic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,3-dicarboxylate", - "smiles": "COC(=O)c1cccc(C(=O)OC)c1", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0064379863738796 - } - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0822735802314515 - } - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0010966442880431 - } - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.1631175301508258 - } - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "544-01-4", - "name": "diisopentyl ether", - "iupac_name": "3-methyl-1-(3-methylbutoxy)butane", - "smiles": "CC(C)CCOCCC(C)C", - "inchi": "InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0073411661983132 - } - }, - { - "id1": { - "cas": "93-58-3", - "name": "benzoic acid methyl ester", - "iupac_name": "methyl benzoate", - "smiles": "COC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" - }, - "id2": { - "cas": "120-61-6", - "name": "dimethyl terephthalate", - "iupac_name": "dimethyl benzene-1,4-dicarboxylate", - "smiles": "COC(=O)c1ccc(C(=O)OC)cc1", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -9.127463057000246e-05 - } - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0343633166057288 - } - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "78-84-2", - "name": "2-methylpropanal", - "iupac_name": "2-methylpropanal", - "smiles": "CC(C)C=O", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0015574762708378 - } - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0130794106379886 - } - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "model_record": { - "k_ij": -0.0225698332795736 - } - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0045592314359644 - } - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "462-95-3", - "name": "diethoxymethane", - "iupac_name": "ethoxymethoxyethane", - "smiles": "CCOCOCC", - "inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0007359974029624 - } - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.051523343932502 - } - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0106251536730753 - } - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0316118260454599 - } - }, - { - "id1": { - "cas": "123-72-8", - "name": "butyraldehyde", - "iupac_name": "butanal", - "smiles": "CCCC=O", - "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "model_record": { - "k_ij": 0.0255582313066483 - } - }, - { - "id1": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "model_record": { - "k_ij": 0.0221627869267584 - } - }, - { - "id1": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": 0.0040849792669488 - } - }, - { - "id1": { - "cas": "542-92-7", - "name": "1,3-cyclopentadiene", - "iupac_name": "cyclopenta-1,3-diene", - "smiles": "C1=CCC=C1", - "inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" - }, - "id2": { - "cas": "3404-61-3", - "name": "3-methyl-1-hexene", - "iupac_name": "3-methylhex-1-ene", - "smiles": "C=CC(C)CCC", - "inchi": "InChI=1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3" - }, - "model_record": { - "k_ij": 0.0076544033286029 - } - }, - { - "id1": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": 0.0120166788005612 - } - }, - { - "id1": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "model_record": { - "k_ij": 0.0123558653613485 - } - }, - { - "id1": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.2330991361705545 - } - }, - { - "id1": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0463626429289812 - } - }, - { - "id1": { - "cas": "493-01-6", - "name": "cis-decahydronaphthalene", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CC[C@H]2CCCC[C@H]2C1", - "inchi": "InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+" - }, - "id2": { - "cas": "132-64-9", - "name": "dibenzo[b,d]furan", - "iupac_name": "dibenzofuran", - "smiles": "c1ccc2c(c1)oc1ccccc12", - "inchi": "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" - }, - "model_record": { - "k_ij": 0.0303366445699649 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0003518050992485 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0126111093645016 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0019298252316223 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.012513775081546 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.043232507780548 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.003311790030964 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0458719211775199 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0263917074599625 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0040495729101337 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0541420225628766 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0054250417622128 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.1243673581649905 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.132584582330269 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0039227386646918 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0188619652257171 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.00117086496992 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.046121965500116 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1121711087275082 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "540-88-5", - "name": "tert-butyl acetate", - "iupac_name": "tert-butyl acetate", - "smiles": "CC(=O)OC(C)(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.022415792528023 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0141204414327444 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.1105168496390178 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0876722192255846 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0123775015002573 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.1045044021210954 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0908253407573898 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0134342273453744 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "75-66-1", - "name": "2-methyl-2-propanethiol", - "iupac_name": "2-methylpropane-2-thiol", - "smiles": "CC(C)(C)S", - "inchi": "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0115029819486058 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0265575441426906 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "540-63-6", - "name": "1,2-ethanedithiol", - "iupac_name": "ethane-1,2-dithiol", - "smiles": "SCCS", - "inchi": "InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2" - }, - "model_record": { - "k_ij": 0.0311919592514005 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0812432205544319 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": 0.0860159466392611 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0944989304874689 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": 0.0613405947055984 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0720314882158118 - } - }, - { - "id1": { - "cas": "75-28-5", - "name": "2-methylpropane", - "iupac_name": "2-methylpropane", - "smiles": "CC(C)C", - "inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" - }, - "id2": { - "cas": "29118-25-0", - "name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C\\C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1-" - }, - "model_record": { - "k_ij": 0.0839737514619684 - } - }, - { - "id1": { - "cas": "140-88-5", - "name": "2-propenoic acid ethyl ester", - "iupac_name": "ethyl prop-2-enoate", - "smiles": "C=CC(=O)OCC", - "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0531233506289337 - } - }, - { - "id1": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.065148857599404 - } - }, - { - "id1": { - "cas": "151-67-7", - "name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "iupac_name": "2-bromo-2-chloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Br", - "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0714076149575594 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "model_record": { - "k_ij": 0.000563486120422 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0314481700410677 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0037258369087173 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": {} - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0514680450192749 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": -0.0165417173840551 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0162117176500366 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "model_record": { - "k_ij": 0.0259310795403326 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0179870595314253 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0003326768997544 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "76-01-7", - "name": "pentachloroethane", - "iupac_name": "1,1,1,2,2-pentachloroethane", - "smiles": "ClC(Cl)C(Cl)(Cl)Cl", - "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0110456289565743 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0027210221056135 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0483444687244988 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "model_record": { - "k_ij": -0.0234107923646466 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0277310420878 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0020908452141562 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "95-13-6", - "name": "indene", - "iupac_name": "1h-indene", - "smiles": "C1=Cc2ccccc2C1", - "inchi": "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" - }, - "model_record": { - "k_ij": 0.0020534509470149 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0018441009022109 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1226614987578912 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0099340460904555 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.01869536540253 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0214242046502758 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "112-60-7", - "name": "tetraethylene glycol", - "iupac_name": "2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol", - "smiles": "OCCOCCOCCOCCO", - "inchi": "InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2" - }, - "model_record": { - "k_ij": -0.0565568731160335 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0016844864449013 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0153684912182589 - } - }, - { - "id1": { - "cas": "95-47-6", - "name": "o-xylene", - "iupac_name": "1,2-xylene", - "smiles": "Cc1ccccc1C", - "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" - }, - "id2": { - "cas": "24800-44-0", - "name": "tripropylene glycol", - "iupac_name": "2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol", - "smiles": "CC(O)COC(C)COC(C)CO", - "inchi": "InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0561193189365943 - } - }, - { - "id1": { - "cas": "112-07-2", - "name": "2-butoxyethyl acetate", - "iupac_name": "2-butoxyethyl acetate", - "smiles": "CCCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0651122066604616 - } - }, - { - "id1": { - "cas": "112-07-2", - "name": "2-butoxyethyl acetate", - "iupac_name": "2-butoxyethyl acetate", - "smiles": "CCCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.005823464284313 - } - }, - { - "id1": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0266854653813455 - } - }, - { - "id1": { - "cas": "109-52-4", - "name": "pentanoic acid", - "iupac_name": "pentanoic acid", - "smiles": "CCCCC(=O)O", - "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0049584274504655 - } - }, - { - "id1": { - "cas": "100-61-8", - "name": "n-methylaniline", - "iupac_name": "n-methylaniline", - "smiles": "CNc1ccccc1", - "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": -0.0610012489745831 - } - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": -0.0140416672770776 - } - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "106-70-7", - "name": "hexanoic acid methyl ester", - "iupac_name": "methyl hexanoate", - "smiles": "CCCCCC(=O)OC", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0571854573154222 - } - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": -0.0197749550112013 - } - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0360628179776951 - } - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "624-24-8", - "name": "methyl valerate", - "iupac_name": "methyl pentanoate", - "smiles": "CCCCC(=O)OC", - "inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0464837465346869 - } - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "105-30-6", - "name": "2-methyl-1-pentanol", - "iupac_name": "2-methylpentan-1-ol", - "smiles": "CCCC(C)CO", - "inchi": "InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0718875371044314 - } - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0342507889128762 - } - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0274330843057593 - } - }, - { - "id1": { - "cas": "107-12-0", - "name": "propionitrile", - "iupac_name": "propanenitrile", - "smiles": "CCC#N", - "inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0266952448968523 - } - }, - { - "id1": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "id2": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.0009249465384108 - } - }, - { - "id1": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0068457660509607 - } - }, - { - "id1": { - "cas": "75-29-6", - "name": "2-chloropropane", - "iupac_name": "2-chloropropane", - "smiles": "CC(C)Cl", - "inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" - }, - "id2": { - "cas": "557-98-2", - "name": "2-chloropropylene", - "iupac_name": "2-chloroprop-1-ene", - "smiles": "C=C(C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "model_record": { - "k_ij": 0.0085119097888005 - } - }, - { - "id1": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0163278487586464 - } - }, - { - "id1": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "id2": { - "cas": "592-42-7", - "name": "1,5-hexadiene", - "iupac_name": "hexa-1,5-diene", - "smiles": "C=CCCC=C", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2" - }, - "model_record": { - "k_ij": 0.00805282009363 - } - }, - { - "id1": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "id2": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "model_record": { - "k_ij": 0.0615010852004573 - } - }, - { - "id1": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0101893281273896 - } - }, - { - "id1": { - "cas": "107-05-1", - "name": "3-chloro-1-propene", - "iupac_name": "3-chloroprop-1-ene", - "smiles": "C=CCCl", - "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" - }, - "id2": { - "cas": "557-98-2", - "name": "2-chloropropylene", - "iupac_name": "2-chloroprop-1-ene", - "smiles": "C=C(C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "model_record": { - "k_ij": 0.0086689589303689 - } - }, - { - "id1": { - "cas": "110-00-9", - "name": "furan", - "iupac_name": "furan", - "smiles": "c1ccoc1", - "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" - }, - "id2": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0367544550607324 - } - }, - { - "id1": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "id2": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0040006153786455 - } - }, - { - "id1": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0046865344593096 - } - }, - { - "id1": { - "cas": "540-54-5", - "name": "1-chloropropane", - "iupac_name": "1-chloropropane", - "smiles": "CCCCl", - "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0184298300302448 - } - }, - { - "id1": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "id2": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0057822328852112 - } - }, - { - "id1": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0033467234522594 - } - }, - { - "id1": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0555470388007564 - } - }, - { - "id1": { - "cas": "98-85-1", - "name": "alpha.-phenylethanol", - "iupac_name": "1-phenylethanol", - "smiles": "CC(O)c1ccccc1", - "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "model_record": { - "k_ij": 0.0050874386343753 - } - }, - { - "id1": { - "cas": "111-43-3", - "name": "di-n-propyl ether", - "iupac_name": "1-propoxypropane", - "smiles": "CCCOCCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0059947004001012 - } - }, - { - "id1": { - "cas": "628-81-9", - "name": "ethyl butyl ether", - "iupac_name": "1-ethoxybutane", - "smiles": "CCCCOCC", - "inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0018621739366307 - } - }, - { - "id1": { - "cas": "112-63-0", - "name": "(z,z)-9,12-octadecadienoic acid methyl ester", - "iupac_name": "methyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1010564705106721 - } - }, - { - "id1": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0081916829193136 - } - }, - { - "id1": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "504-63-2", - "name": "1,3-propanediol", - "iupac_name": "propane-1,3-diol", - "smiles": "OCCCO", - "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" - }, - "model_record": { - "k_ij": -0.0480900878324171 - } - }, - { - "id1": { - "cas": "111-70-6", - "name": "1-heptanol", - "iupac_name": "heptan-1-ol", - "smiles": "CCCCCCCO", - "inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1108528997940326 - } - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "model_record": { - "k_ij": 0.0017554607830159 - } - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0261153611821796 - } - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.029497940520127 - } - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0261203843362035 - } - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1113814358563576 - } - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0272398616526515 - } - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.005391745447178 - } - }, - { - "id1": { - "cas": "111-87-5", - "name": "1-octanol", - "iupac_name": "octan-1-ol", - "smiles": "CCCCCCCCO", - "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0030242466626529 - } - }, - { - "id1": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": -0.0011699308523509 - } - }, - { - "id1": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "id2": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.016572608406866 - } - }, - { - "id1": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1456062732807258 - } - }, - { - "id1": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0129021498474461 - } - }, - { - "id1": { - "cas": "112-30-1", - "name": "1-decanol", - "iupac_name": "decan-1-ol", - "smiles": "CCCCCCCCCCO", - "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.010457016359692 - } - }, - { - "id1": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "id2": { - "cas": "334-48-5", - "name": "capric acid", - "iupac_name": "decanoic acid", - "smiles": "CCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" - }, - "model_record": { - "k_ij": 0.012369772100312 - } - }, - { - "id1": { - "cas": "143-07-7", - "name": "lauric acid", - "iupac_name": "dodecanoic acid", - "smiles": "CCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0196307821563871 - } - }, - { - "id1": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "id2": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0170682690135959 - } - }, - { - "id1": { - "cas": "544-63-8", - "name": "myristic acid", - "iupac_name": "tetradecanoic acid", - "smiles": "CCCCCCCCCCCCCC(=O)O", - "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" - }, - "id2": { - "cas": "111-62-6", - "name": "(z)-9-octadecenoic acid ethyl ester", - "iupac_name": "ethyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-" - }, - "model_record": { - "k_ij": -0.0295725561490129 - } - }, - { - "id1": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "model_record": { - "k_ij": 0.010193269010186 - } - }, - { - "id1": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "110-42-9", - "name": "decanoic acid methyl ester", - "iupac_name": "methyl decanoate", - "smiles": "CCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0072529136267915 - } - }, - { - "id1": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0059317135692282 - } - }, - { - "id1": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1109046195076001 - } - }, - { - "id1": { - "cas": "111-82-0", - "name": "dodecanoic acid methyl ester", - "iupac_name": "methyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.010324926567328 - } - }, - { - "id1": { - "cas": "112-61-8", - "name": "octadecanoic acid methyl ester", - "iupac_name": "methyl octadecanoate", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1001683112307074 - } - }, - { - "id1": { - "cas": "112-61-8", - "name": "octadecanoic acid methyl ester", - "iupac_name": "methyl octadecanoate", - "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.001159515893159 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": -0.0013456172330874 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "model_record": { - "k_ij": 0.0295118601899916 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.025641987912142 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0008956127386292 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0081111875830226 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": -0.0028127387386138 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0404651106082224 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0015481731918317 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0039753174826741 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0046255962989538 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0051611592332274 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": -0.0179364833866734 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1362946517477554 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "3710-30-3", - "name": "1,7-octadiene", - "iupac_name": "octa-1,7-diene", - "smiles": "C=CCCCCC=C", - "inchi": "InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2" - }, - "model_record": { - "k_ij": 0.0132096878554145 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0207415503503347 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "99-62-7", - "name": "1,3-diisopropylbenzene", - "iupac_name": "1,3-di(propan-2-yl)benzene", - "smiles": "CC(C)c1cccc(C(C)C)c1", - "inchi": "InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3" - }, - "model_record": { - "k_ij": -0.0077883462733783 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "model_record": { - "k_ij": -0.0250229755679648 - } - }, - { - "id1": { - "cas": "98-82-8", - "name": "isopropylbenzene", - "iupac_name": "cumene", - "smiles": "CC(C)c1ccccc1", - "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "617-94-7", - "name": "2-phenyl-2-propanol", - "iupac_name": "2-phenylpropan-2-ol", - "smiles": "CC(C)(O)c1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" - }, - "model_record": { - "k_ij": 0.0190290236065294 - } - }, - { - "id1": { - "cas": "2027-17-0", - "name": "2-isopropylnaphthalene", - "iupac_name": "2-propan-2-ylnaphthalene", - "smiles": "CC(C)c1ccc2ccccc2c1", - "inchi": "InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3" - }, - "id2": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "smiles": "Oc1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "model_record": { - "k_ij": -0.0195347655090818 - } - }, - { - "id1": { - "cas": "135-19-3", - "name": "2-naphthol", - "iupac_name": "naphthalen-2-ol", - "smiles": "Oc1ccc2ccccc2c1", - "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" - }, - "id2": { - "cas": "90-15-3", - "name": "1-naphthol", - "iupac_name": "naphthalen-1-ol", - "smiles": "Oc1cccc2ccccc12", - "inchi": "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" - }, - "model_record": { - "k_ij": -0.0377651397700734 - } - }, - { - "id1": { - "cas": "872-05-9", - "name": "1-decene", - "iupac_name": "dec-1-ene", - "smiles": "C=CCCCCCCCC", - "inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" - }, - "id2": { - "cas": "131-11-3", - "name": "phthalic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,2-dicarboxylate", - "smiles": "COC(=O)c1ccccc1C(=O)OC", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0192099916669379 - } - }, - { - "id1": { - "cas": "563-45-1", - "name": "3-methyl-1-butene", - "iupac_name": "3-methylbut-1-ene", - "smiles": "C=CC(C)C", - "inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.0788566368802829 - } - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "model_record": { - "k_ij": 0.0075598382567552 - } - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0034735268238835 - } - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 3.94010639782822e-05 - } - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0013875061934669 - } - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0032756362202445 - } - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0742907468302857 - } - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0042504034450576 - } - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0053916101421567 - } - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0039605958803645 - } - }, - { - "id1": { - "cas": "106-99-0", - "name": "1,3-butadiene", - "iupac_name": "buta-1,3-diene", - "smiles": "C=CC=C", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "model_record": { - "k_ij": 0.0116654110556864 - } - }, - { - "id1": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 6.739248472787914e-05 - } - }, - { - "id1": { - "cas": "689-97-4", - "name": "1-buten-3-yne", - "iupac_name": "but-1-en-3-yne", - "smiles": "C#CC=C", - "inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.0152390316380647 - } - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "model_record": { - "k_ij": 0.0004265581429855 - } - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.0017558139167724 - } - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0234870087692384 - } - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0022364295767436 - } - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "model_record": { - "k_ij": 0.0758096818539454 - } - }, - { - "id1": { - "cas": "79-29-8", - "name": "2,3-dimethylbutane", - "iupac_name": "2,3-dimethylbutane", - "smiles": "CC(C)C(C)C", - "inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0174665206192129 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0013857038051894 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "691-37-2", - "name": "4-methyl-1-pentene", - "iupac_name": "4-methylpent-1-ene", - "smiles": "C=CCC(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0056156246965941 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0189945824926829 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.001372633540193 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1244888985394334 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0069475445231216 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0052532355875 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0529057303111203 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0044060735928494 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.1233808325092602 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0145097482046765 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.1174013208069209 - } - }, - { - "id1": { - "cas": "106-98-9", - "name": "1-butene", - "iupac_name": "but-1-ene", - "smiles": "C=CCC", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "model_record": { - "k_ij": 0.0873548093169717 - } - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": 0.0076522840144998 - } - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0048127734127551 - } - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "589-34-4", - "name": "3-methylhexane", - "iupac_name": "3-methylhexane", - "smiles": "CCCC(C)CC", - "inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0070286120831845 - } - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0009984874364895 - } - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1265234184760893 - } - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0348764395930329 - } - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0228880642281301 - } - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "536-78-7", - "name": "3-ethylpyridine", - "iupac_name": "3-ethylpyridine", - "smiles": "CCc1cccnc1", - "inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0010911025018262 - } - }, - { - "id1": { - "cas": "103-65-1", - "name": "propylbenzene", - "iupac_name": "propylbenzene", - "smiles": "CCCc1ccccc1", - "inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0015059436277459 - } - }, - { - "id1": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0037180047232396 - } - }, - { - "id1": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "id2": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "model_record": { - "k_ij": 0.0714114762453085 - } - }, - { - "id1": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.006516006454967 - } - }, - { - "id1": { - "cas": "75-83-2", - "name": "2,2-dimethylbutane", - "iupac_name": "2,2-dimethylbutane", - "smiles": "CCC(C)(C)C", - "inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0133904610469267 - } - }, - { - "id1": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.017622509639753 - } - }, - { - "id1": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0017648118637057 - } - }, - { - "id1": { - "cas": "105-54-4", - "name": "ethyl butyrate", - "iupac_name": "ethyl butanoate", - "smiles": "CCCC(=O)OCC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0498792255459728 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0076506459264913 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "model_record": { - "k_ij": -0.0026273912026498 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0230339083033083 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "model_record": { - "k_ij": 0.0087031658862691 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.2848709379215072 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0038097180262806 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0318405733236062 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0109714124645491 - } - }, - { - "id1": { - "cas": "98-86-2", - "name": "acetophenone", - "iupac_name": "1-phenylethanone", - "smiles": "CC(=O)c1ccccc1", - "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "model_record": { - "k_ij": -0.0256871910733289 - } - }, - { - "id1": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0048357260894156 - } - }, - { - "id1": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0092476176662828 - } - }, - { - "id1": { - "cas": "110-19-0", - "name": "isobutyl acetate", - "iupac_name": "2-methylpropyl acetate", - "smiles": "CC(=O)OCC(C)C", - "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0362780198217331 - } - }, - { - "id1": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "id2": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0233208475511282 - } - }, - { - "id1": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "id2": { - "cas": "109-43-3", - "name": "decanedioic acid dibutyl ester", - "iupac_name": "dibutyl decanedioate", - "smiles": "CCCCOC(=O)CCCCCCCCC(=O)OCCCC", - "inchi": "InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0315500999252219 - } - }, - { - "id1": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "id2": { - "cas": "84-66-2", - "name": "phthalic acid diethyl ester", - "iupac_name": "diethyl benzene-1,2-dicarboxylate", - "smiles": "CCOC(=O)c1ccccc1C(=O)OCC", - "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0307087591283549 - } - }, - { - "id1": { - "cas": "108-31-6", - "name": "maleic anhydride", - "iupac_name": "furan-2,5-dione", - "smiles": "O=C1C=CC(=O)O1", - "inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" - }, - "id2": { - "cas": "131-11-3", - "name": "phthalic acid dimethyl ester", - "iupac_name": "dimethyl benzene-1,2-dicarboxylate", - "smiles": "COC(=O)c1ccccc1C(=O)OC", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": -0.0203142332048782 - } - }, - { - "id1": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 1.0880021165339898e-05 - } - }, - { - "id1": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "id2": { - "cas": "102-69-2", - "name": "tripropylamine", - "iupac_name": "n,n-dipropylpropan-1-amine", - "smiles": "CCCN(CCC)CCC", - "inchi": "InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0320057705169207 - } - }, - { - "id1": { - "cas": "107-10-8", - "name": "n-propylamine", - "iupac_name": "propan-1-amine", - "smiles": "CCCN", - "inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" - }, - "id2": { - "cas": "56-18-8", - "name": "bis(3-aminopropyl)amine", - "iupac_name": "n'-(3-aminopropyl)propane-1,3-diamine", - "smiles": "NCCCNCCCN", - "inchi": "InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2" - }, - "model_record": { - "k_ij": -0.7014904578704423 - } - }, - { - "id1": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "628-55-7", - "name": "diisobutyl ether", - "iupac_name": "2-methyl-1-(2-methylpropoxy)propane", - "smiles": "CC(C)COCC(C)C", - "inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0120335678194944 - } - }, - { - "id1": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.078382811152249 - } - }, - { - "id1": { - "cas": "104-76-7", - "name": "2-ethyl-1-hexanol", - "iupac_name": "2-ethylhexan-1-ol", - "smiles": "CCCCC(CC)CO", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "103-09-3", - "name": "2-ethylhexylacetate", - "iupac_name": "2-ethylhexyl acetate", - "smiles": "CCCCC(CC)COC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0116439600986311 - } - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0112629770675324 - } - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0184552859558976 - } - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0025514174894335 - } - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0059480140257337 - } - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0299341084078532 - } - }, - { - "id1": { - "cas": "108-21-4", - "name": "acetic acid isopropyl ester", - "iupac_name": "propan-2-yl acetate", - "smiles": "CC(=O)OC(C)C", - "inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0008759631794783 - } - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0172833086085635 - } - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0114805250875831 - } - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0124529353956052 - } - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0159619386869572 - } - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0020739817632229 - } - }, - { - "id1": { - "cas": "646-06-0", - "name": "1,3-dioxolane", - "iupac_name": "1,3-dioxolane", - "smiles": "C1COCO1", - "inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0265045880242865 - } - }, - { - "id1": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "id2": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "model_record": { - "k_ij": -1.2868039782712732e-05 - } - }, - { - "id1": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "id2": { - "cas": "502-41-0", - "name": "cycloheptanol", - "iupac_name": "cycloheptanol", - "smiles": "OC1CCCCCC1", - "inchi": "InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2" - }, - "model_record": { - "k_ij": 0.0540823036558964 - } - }, - { - "id1": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0111586024307916 - } - }, - { - "id1": { - "cas": "291-64-5", - "name": "cycloheptane", - "iupac_name": "cycloheptane", - "smiles": "C1CCCCCC1", - "inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1597748623217928 - } - }, - { - "id1": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": 0.0151918428621401 - } - }, - { - "id1": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1607790133093348 - } - }, - { - "id1": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0166968564624777 - } - }, - { - "id1": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "id2": { - "cas": "502-49-8", - "name": "cyclooctanone", - "iupac_name": "cyclooctanone", - "smiles": "O=C1CCCCCCC1", - "inchi": "InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2" - }, - "model_record": { - "k_ij": 0.0375854007584144 - } - }, - { - "id1": { - "cas": "292-64-8", - "name": "cyclooctane", - "iupac_name": "cyclooctane", - "smiles": "C1CCCCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2" - }, - "id2": { - "cas": "696-71-9", - "name": "cyclooctanol", - "iupac_name": "cyclooctanol", - "smiles": "OC1CCCCCCC1", - "inchi": "InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2" - }, - "model_record": { - "k_ij": 0.1153950896775411 - } - }, - { - "id1": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": 0.0131536803437452 - } - }, - { - "id1": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0865192209701127 - } - }, - { - "id1": { - "cas": "629-50-5", - "name": "tridecane", - "iupac_name": "tridecane", - "smiles": "CCCCCCCCCCCCC", - "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0043783331721605 - } - }, - { - "id1": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0015934310201971 - } - }, - { - "id1": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0947332549188934 - } - }, - { - "id1": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.030598240527771 - } - }, - { - "id1": { - "cas": "99-87-6", - "name": "4-isopropyltoluene", - "iupac_name": "1-methyl-4-propan-2-ylbenzene", - "smiles": "Cc1ccc(C(C)C)cc1", - "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" - }, - "id2": { - "cas": "5989-54-8", - "name": "l-(-)-limonene", - "iupac_name": "(4s)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1" - }, - "model_record": { - "k_ij": 0.0023138685225914 - } - }, - { - "id1": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.0060171799047431 - } - }, - { - "id1": { - "cas": "75-78-5", - "name": "dichlorodimethylsilane", - "iupac_name": "dichloro(dimethyl)silane", - "smiles": "C[Si](C)(Cl)Cl", - "inchi": "InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 3.590249263331106e-05 - } - }, - { - "id1": { - "cas": "108-01-0", - "name": "n,n-dimethylethanolamine (dmmea)", - "iupac_name": "2-(dimethylamino)ethanol", - "smiles": "CN(C)CCO", - "inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "1704-62-7", - "name": "2-(2-dimethylaminoethoxy) ethanol", - "iupac_name": "2-[2-(dimethylamino)ethoxy]ethanol", - "smiles": "CN(C)CCOCCO", - "inchi": "InChI=1S/C6H15NO2/c1-7(2)3-5-9-6-4-8/h8H,3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0076493994274605 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0360684419964992 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0169337604679031 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "110-74-7", - "name": "formic acid propyl ester", - "iupac_name": "propyl formate", - "smiles": "CCCOC=O", - "inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0396745941007231 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0213517678663603 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0621078344505239 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "111-36-4", - "name": "isocyanic acid butyl ester", - "iupac_name": "1-isocyanatobutane", - "smiles": "CCCCN=C=O", - "inchi": "InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0354536495584659 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0215374421273234 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0205055867864854 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "3452-09-3", - "name": "1-nonyne", - "iupac_name": "non-1-yne", - "smiles": "C#CCCCCCCC", - "inchi": "InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3" - }, - "model_record": { - "k_ij": 0.0055999703046759 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "109-64-8", - "name": "1,3-dibromopropane", - "iupac_name": "1,3-dibromopropane", - "smiles": "BrCCCBr", - "inchi": "InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": 0.0155469784597001 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0252905132681386 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1288481656091907 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0158016391160656 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.3182899213987358 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "106-35-4", - "name": "3-heptanone", - "iupac_name": "heptan-3-one", - "smiles": "CCCCC(=O)CC", - "inchi": "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0195398031676816 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0148442722541286 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.1103187160348843 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.005787246274144 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0365593519153496 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.0084717198164196 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0290622885957245 - } - }, - { - "id1": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.1447244406506413 - } - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0034485950335529 - } - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "106-36-5", - "name": "propanoic acid propyl ester", - "iupac_name": "propyl propanoate", - "smiles": "CCCOC(=O)CC", - "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0058426918586949 - } - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0366953821682229 - } - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": -0.0025184816390378 - } - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.0025896269936566 - } - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0187397457093305 - } - }, - { - "id1": { - "cas": "123-38-6", - "name": "propanal", - "iupac_name": "propanal", - "smiles": "CCC=O", - "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0013625312851136 - } - }, - { - "id1": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.033359508798248 - } - }, - { - "id1": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": -0.0748000622471618 - } - }, - { - "id1": { - "cas": "554-12-1", - "name": "methyl propanoate", - "iupac_name": "methyl propanoate", - "smiles": "CCC(=O)OC", - "inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" - }, - "id2": { - "cas": "624-54-4", - "name": "amyl propioanate", - "iupac_name": "pentyl propanoate", - "smiles": "CCCCCOC(=O)CC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0012458427936789 - } - }, - { - "id1": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0059943534104864 - } - }, - { - "id1": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0045699814461424 - } - }, - { - "id1": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1764261335854908 - } - }, - { - "id1": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0185166859480318 - } - }, - { - "id1": { - "cas": "1678-91-7", - "name": "ethylcyclohexane", - "iupac_name": "ethylcyclohexane", - "smiles": "CCC1CCCCC1", - "inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.012657767025681 - } - }, - { - "id1": { - "cas": "112-34-5", - "name": "diethylene glycol monobutyl ether", - "iupac_name": "2-(2-butoxyethoxy)ethanol", - "smiles": "CCCCOCCOCCO", - "inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1059687988738319 - } - }, - { - "id1": { - "cas": "106-70-7", - "name": "hexanoic acid methyl ester", - "iupac_name": "methyl hexanoate", - "smiles": "CCCCCC(=O)OC", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "111-11-5", - "name": "octanoic acid methyl ester", - "iupac_name": "methyl octanoate", - "smiles": "CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0006647453074306 - } - }, - { - "id1": { - "cas": "111-11-5", - "name": "octanoic acid methyl ester", - "iupac_name": "methyl octanoate", - "smiles": "CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "110-42-9", - "name": "decanoic acid methyl ester", - "iupac_name": "methyl decanoate", - "smiles": "CCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.00477555960091 - } - }, - { - "id1": { - "cas": "110-42-9", - "name": "decanoic acid methyl ester", - "iupac_name": "methyl decanoate", - "smiles": "CCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0053854439121273 - } - }, - { - "id1": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0767762947057325 - } - }, - { - "id1": { - "cas": "628-63-7", - "name": "amyl acetate", - "iupac_name": "pentyl acetate", - "smiles": "CCCCCOC(C)=O", - "inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0005745677305447 - } - }, - { - "id1": { - "cas": "108-83-8", - "name": "diisobutyl ketone", - "iupac_name": "2,6-dimethylheptan-4-one", - "smiles": "CC(C)CC(=O)CC(C)C", - "inchi": "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0015212383364804 - } - }, - { - "id1": { - "cas": "624-89-5", - "name": "ethyl methyl sulfide", - "iupac_name": "methylsulfanylethane", - "smiles": "CCSC", - "inchi": "InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0298669147055608 - } - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "model_record": { - "k_ij": 0.0054818606022667 - } - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0044979141393611 - } - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": 0.003937158473817 - } - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0123823856180913 - } - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0039785904965288 - } - }, - { - "id1": { - "cas": "352-93-2", - "name": "diethyl sulfide", - "iupac_name": "ethylsulfanylethane", - "smiles": "CCSCC", - "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0017443112409172 - } - }, - { - "id1": { - "cas": "124-09-4", - "name": "1,6-hexanediamine", - "iupac_name": "hexane-1,6-diamine", - "smiles": "NCCCCCCN", - "inchi": "InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2" - }, - "id2": { - "cas": "111-69-3", - "name": "1,4-dicyanobutane", - "iupac_name": "hexanedinitrile", - "smiles": "N#CCCCCC#N", - "inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2" - }, - "model_record": { - "k_ij": 0.0093075886711295 - } - }, - { - "id1": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0552905372000032 - } - }, - { - "id1": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0009112829831443 - } - }, - { - "id1": { - "cas": "109-21-7", - "name": "butanoic acid butyl ester", - "iupac_name": "butyl butanoate", - "smiles": "CCCCOC(=O)CCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0904234397587357 - } - }, - { - "id1": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "id2": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": 0.0034825233387639 - } - }, - { - "id1": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "model_record": { - "k_ij": 0.0116830204858945 - } - }, - { - "id1": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0346474614320331 - } - }, - { - "id1": { - "cas": "65-85-0", - "name": "benzoic acid", - "iupac_name": "benzoic acid", - "smiles": "O=C(O)c1ccccc1", - "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "model_record": { - "k_ij": -0.0516480141321083 - } - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "107-51-7", - "name": "octamethyltrisiloxane", - "iupac_name": "dimethyl-bis(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3" - }, - "model_record": { - "k_ij": 0.0080895868123789 - } - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "123-75-1", - "name": "pyrrolidine", - "iupac_name": "pyrrolidine", - "smiles": "C1CCNC1", - "inchi": "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.0374394125478617 - } - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1450280630663173 - } - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0059137846115792 - } - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "999-97-3", - "name": "hexamethyldisilazane", - "iupac_name": "[dimethyl-(trimethylsilylamino)silyl]methane", - "smiles": "C[Si](C)(C)N[Si](C)(C)C", - "inchi": "InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3" - }, - "model_record": { - "k_ij": 0.0048059950480095 - } - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "107-11-9", - "name": "3-amino-1-propene", - "iupac_name": "prop-2-en-1-amine", - "smiles": "C=CCN", - "inchi": "InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2" - }, - "model_record": { - "k_ij": -0.0136217781255167 - } - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "141-62-8", - "name": "decamethyltetrasiloxane", - "iupac_name": "[dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxysilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3" - }, - "model_record": { - "k_ij": 0.0125092795384439 - } - }, - { - "id1": { - "cas": "107-46-0", - "name": "hexamethyl disiloxane", - "iupac_name": "trimethyl(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" - }, - "id2": { - "cas": "141-63-9", - "name": "dodecamethylpentasiloxane", - "iupac_name": "bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3" - }, - "model_record": { - "k_ij": 0.0157508262392785 - } - }, - { - "id1": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0322357979686511 - } - }, - { - "id1": { - "cas": "563-80-4", - "name": "methyl isopropyl ketone", - "iupac_name": "3-methylbutan-2-one", - "smiles": "CC(=O)C(C)C", - "inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0552532790097117 - } - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "119-65-3", - "name": "isoquinoline", - "iupac_name": "isoquinoline", - "smiles": "c1ccc2cnccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" - }, - "model_record": { - "k_ij": -0.0020085269251153 - } - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0022399234812928 - } - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 6.899294370751789 - } - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0631567155831542 - } - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0315675939701691 - } - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "95-65-8", - "name": "3,4-dimethylphenol", - "iupac_name": "3,4-dimethylphenol", - "smiles": "Cc1ccc(O)cc1C", - "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" - }, - "model_record": { - "k_ij": -0.1166763039231788 - } - }, - { - "id1": { - "cas": "91-22-5", - "name": "quinoline", - "iupac_name": "quinoline", - "smiles": "c1ccc2ncccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.076795281594902 - } - }, - { - "id1": { - "cas": "120-83-2", - "name": "2,4-dichlorophenol", - "iupac_name": "2,4-dichlorophenol", - "smiles": "Oc1ccc(Cl)cc1Cl", - "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" - }, - "id2": { - "cas": "95-57-8", - "name": "o-chlorophenol", - "iupac_name": "2-chlorophenol", - "smiles": "Oc1ccccc1Cl", - "inchi": "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H" - }, - "model_record": { - "k_ij": 0.0081409640011563 - } - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "model_record": { - "k_ij": 0.0332660672273787 - } - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0056835224226621 - } - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0150887486282406 - } - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "96-23-1", - "name": "1,3-dichloro-2-propanol", - "iupac_name": "1,3-dichloropropan-2-ol", - "smiles": "OC(CCl)CCl", - "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2" - }, - "model_record": { - "k_ij": 0.0055553446166773 - } - }, - { - "id1": { - "cas": "106-89-8", - "name": "epichlorohydrin", - "iupac_name": "2-(chloromethyl)oxirane", - "smiles": "ClCC1CO1", - "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" - }, - "id2": { - "cas": "78-88-6", - "name": "2,3-dichloropropene", - "iupac_name": "2,3-dichloroprop-1-ene", - "smiles": "C=C(Cl)CCl", - "inchi": "InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2" - }, - "model_record": { - "k_ij": -0.0013807207267524 - } - }, - { - "id1": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0261249628175113 - } - }, - { - "id1": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.0203840693218936 - } - }, - { - "id1": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1595556306559921 - } - }, - { - "id1": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.136212530736409 - } - }, - { - "id1": { - "cas": "112-27-6", - "name": "triethylene glycol", - "iupac_name": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol", - "smiles": "OCCOCCOCCO", - "inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.1189901524882572 - } - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "model_record": { - "k_ij": -0.223880806967404 - } - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.0293301406159148 - } - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0038034138443282 - } - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0251397099357505 - } - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0405234199542307 - } - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0399844644611988 - } - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0282065175615736 - } - }, - { - "id1": { - "cas": "75-72-9", - "name": "chlorotrifluoromethane [r13]", - "iupac_name": "chloro(trifluoro)methane", - "smiles": "FC(F)(F)Cl", - "inchi": "InChI=1S/CClF3/c2-1(3,4)5" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0289979548494307 - } - }, - { - "id1": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "id2": { - "cas": "1003-38-9", - "name": "2,5-dimethyltetrahydrofuran", - "iupac_name": "2,5-dimethyloxolane", - "smiles": "CC1CCC(C)O1", - "inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0019411896240732 - } - }, - { - "id1": { - "cas": "542-18-7", - "name": "chlorocyclohexane", - "iupac_name": "chlorocyclohexane", - "smiles": "ClC1CCCCC1", - "inchi": "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0064301122892425 - } - }, - { - "id1": { - "cas": "111-77-3", - "name": "diethylene glycol monomethyl ether", - "iupac_name": "2-(2-methoxyethoxy)ethanol", - "smiles": "COCCOCCO", - "inchi": "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1383965982404013 - } - }, - { - "id1": { - "cas": "111-77-3", - "name": "diethylene glycol monomethyl ether", - "iupac_name": "2-(2-methoxyethoxy)ethanol", - "smiles": "COCCOCCO", - "inchi": "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.0826641464260736 - } - }, - { - "id1": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "id2": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "model_record": { - "k_ij": -2.3513623176840318e-05 - } - }, - { - "id1": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": 0.0044589684382178 - } - }, - { - "id1": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0080799967650057 - } - }, - { - "id1": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0073628951504342 - } - }, - { - "id1": { - "cas": "624-64-6", - "name": "trans-2-butene", - "iupac_name": "(e)-but-2-ene", - "smiles": "C/C=C/C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0088441917528295 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": -0.0074897472811038 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0197977100993724 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": 0.0087475446717016 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0192930245389422 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0208902912152534 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0184643873809029 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "928-49-4", - "name": "3-hexyne", - "iupac_name": "hex-3-yne", - "smiles": "CCC#CCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0224715289507797 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0322255235641326 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": -0.1068947099288122 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0035347942369759 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "model_record": { - "k_ij": -0.0443965877271773 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0054242794423231 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.025354859137515 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0211451356491647 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "model_record": { - "k_ij": 0.0885695075630695 - } - }, - { - "id1": { - "cas": "616-38-6", - "name": "carbonic acid dimethyl ester", - "iupac_name": "dimethyl carbonate", - "smiles": "COC(=O)OC", - "inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3" - }, - "id2": { - "cas": "13509-27-8", - "name": "methyl phenyl carbonate", - "iupac_name": "methyl phenyl carbonate", - "smiles": "COC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0277192832432518 - } - }, - { - "id1": { - "cas": "109-59-1", - "name": "2-isopropoxyethanol", - "iupac_name": "2-propan-2-yloxyethanol", - "smiles": "CC(C)OCCO", - "inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1056225197578297 - } - }, - { - "id1": { - "cas": "111-90-0", - "name": "diethylene glycol ethyl ether", - "iupac_name": "2-(2-ethoxyethoxy)ethanol", - "smiles": "CCOCCOCCO", - "inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1552910544628717 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.011715239758638 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0027297356373206 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0327393287257099 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0002249442896356 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0247903462960058 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0034930677007695 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0108387908727616 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0050697746393009 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.0370039877196467 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0029277826284546 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0608499900171317 - } - }, - { - "id1": { - "cas": "115-11-7", - "name": "isobutylene", - "iupac_name": "2-methylprop-1-ene", - "smiles": "C=C(C)C", - "inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.057504058455101 - } - }, - { - "id1": { - "cas": "110-49-6", - "name": "ethylene glycol acetate monomethyl ether", - "iupac_name": "2-methoxyethyl acetate", - "smiles": "COCCOC(C)=O", - "inchi": "InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0286551247020902 - } - }, - { - "id1": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0055003393985667 - } - }, - { - "id1": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0041129949214619 - } - }, - { - "id1": { - "cas": "590-18-1", - "name": "cis-2-butene", - "iupac_name": "(z)-but-2-ene", - "smiles": "C/C=C\\C", - "inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0211647802040475 - } - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "model_record": { - "k_ij": 0.0104463160122181 - } - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0076847192768288 - } - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0061065394239619 - } - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0662876417593057 - } - }, - { - "id1": { - "cas": "111-46-6", - "name": "diethylene glycol", - "iupac_name": "2-(2-hydroxyethoxy)ethanol", - "smiles": "OCCOCCO", - "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "model_record": { - "k_ij": 0.0562272654662628 - } - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0305340420061625 - } - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": -0.0120529860057476 - } - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "3852-09-3", - "name": "propionic acid,beta-methoxy,methyl ester", - "iupac_name": "methyl 3-methoxypropanoate", - "smiles": "COCCC(=O)OC", - "inchi": "InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0070090739985312 - } - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0060308812205748 - } - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0137168933067657 - } - }, - { - "id1": { - "cas": "96-33-3", - "name": "2-propenoic acid methyl ester", - "iupac_name": "methyl prop-2-enoate", - "smiles": "C=CC(=O)OC", - "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "75-35-4", - "name": "1,1-dichloroethylene", - "iupac_name": "1,1-dichloroethene", - "smiles": "C=C(Cl)Cl", - "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" - }, - "model_record": { - "k_ij": 0.013474299636794 - } - }, - { - "id1": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0262403570571891 - } - }, - { - "id1": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1011961231036147 - } - }, - { - "id1": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0551696298305023 - } - }, - { - "id1": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "id2": { - "cas": "344-07-0", - "name": "chloropentafluorobenzene", - "iupac_name": "1-chloro-2,3,4,5,6-pentafluorobenzene", - "smiles": "Fc1c(F)c(F)c(Cl)c(F)c1F", - "inchi": "InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9" - }, - "model_record": { - "k_ij": 0.0444323466983281 - } - }, - { - "id1": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0127774917632885 - } - }, - { - "id1": { - "cas": "120-82-1", - "name": "1,2,4-trichlorobenzene", - "iupac_name": "1,2,4-trichlorobenzene", - "smiles": "Clc1ccc(Cl)c(Cl)c1", - "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H" - }, - "id2": { - "cas": "87-61-6", - "name": "1,2,3-trichlorobenzene", - "iupac_name": "1,2,3-trichlorobenzene", - "smiles": "Clc1cccc(Cl)c1Cl", - "inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H" - }, - "model_record": { - "k_ij": -0.0011883423543186 - } - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "75-76-3", - "name": "tetramethylsilane", - "iupac_name": "tetramethylsilane", - "smiles": "C[Si](C)(C)C", - "inchi": "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" - }, - "model_record": { - "k_ij": 1.4642364429419413e-05 - } - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "594-27-4", - "name": "tetramethylstannane", - "iupac_name": "tetramethylstannane", - "smiles": "[CH3].[CH3].[CH3].[CH3].[Sn]", - "inchi": "InChI=1S/4CH3.Sn/h4*1H3;" - }, - "model_record": { - "k_ij": 0.0041904347435912 - } - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0911516096191678 - } - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1396612349854023 - } - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0363150171468583 - } - }, - { - "id1": { - "cas": "463-82-1", - "name": "2,2-dimethylpropane", - "iupac_name": "2,2-dimethylpropane", - "smiles": "CC(C)(C)C", - "inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0107573430140908 - } - }, - { - "id1": { - "cas": "75-76-3", - "name": "tetramethylsilane", - "iupac_name": "tetramethylsilane", - "smiles": "C[Si](C)(C)C", - "inchi": "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" - }, - "id2": { - "cas": "594-27-4", - "name": "tetramethylstannane", - "iupac_name": "tetramethylstannane", - "smiles": "[CH3].[CH3].[CH3].[CH3].[Sn]", - "inchi": "InChI=1S/4CH3.Sn/h4*1H3;" - }, - "model_record": { - "k_ij": 0.0018505470047102 - } - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "model_record": { - "k_ij": 0.0004764903124077 - } - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "model_record": { - "k_ij": 0.0043651621878388 - } - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "101-84-8", - "name": "diphenyl ether", - "iupac_name": "phenoxybenzene", - "smiles": "c1ccc(Oc2ccccc2)cc1", - "inchi": "InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": 0.0040599368981049 - } - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.131791190401579 - } - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "575-43-9", - "name": "1,6-dimethyl naphthalene", - "iupac_name": "1,6-dimethylnaphthalene", - "smiles": "Cc1ccc2c(C)cccc2c1", - "inchi": "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3" - }, - "model_record": { - "k_ij": 0.0009077347875217 - } - }, - { - "id1": { - "cas": "92-52-4", - "name": "biphenyl", - "iupac_name": "1,1'-biphenyl", - "smiles": "c1ccc(-c2ccccc2)cc1", - "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" - }, - "id2": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "smiles": "c1ccc2[nH]ccc2c1", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "model_record": { - "k_ij": 0.0090680980228287 - } - }, - { - "id1": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.0260444050613531 - } - }, - { - "id1": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "id2": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": -0.0039670312170485 - } - }, - { - "id1": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1510378483736849 - } - }, - { - "id1": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.068240697249324 - } - }, - { - "id1": { - "cas": "101-81-5", - "name": "diphenylmethane", - "iupac_name": "benzylbenzene", - "smiles": "c1ccc(Cc2ccccc2)cc1", - "inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0024495914501933 - } - }, - { - "id1": { - "cas": "135-98-8", - "name": "sec-butylbenzene", - "iupac_name": "butan-2-ylbenzene", - "smiles": "CCC(C)c1ccccc1", - "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" - }, - "id2": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "model_record": { - "k_ij": 0.0166214106487046 - } - }, - { - "id1": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "smiles": "C=C(C)CCC", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": 8.498925523161578e-06 - } - }, - { - "id1": { - "cas": "763-29-1", - "name": "2-methyl-1-pentene", - "iupac_name": "2-methylpent-1-ene", - "smiles": "C=C(C)CCC", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1081871655372813 - } - }, - { - "id1": { - "cas": "691-37-2", - "name": "4-methyl-1-pentene", - "iupac_name": "4-methylpent-1-ene", - "smiles": "C=CCC(C)C", - "inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0191030556835708 - } - }, - { - "id1": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "id2": { - "cas": "591-49-1", - "name": "1-methylcyclohexene", - "iupac_name": "1-methylcyclohexene", - "smiles": "CC1=CCCCC1", - "inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3" - }, - "model_record": { - "k_ij": -0.0186777763436959 - } - }, - { - "id1": { - "cas": "77-73-6", - "name": "dicyclopentadiene", - "iupac_name": "tricyclo[5.2.1.02,6]deca-3,8-diene", - "smiles": "C1=CC2C3C=CC(C3)C2C1", - "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" - }, - "id2": { - "cas": "100-40-3", - "name": "4-ethenylcyclohexene", - "iupac_name": "4-ethenylcyclohexene", - "smiles": "C=CC1CC=CCC1", - "inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2" - }, - "model_record": { - "k_ij": 0.0042932206454756 - } - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "model_record": { - "k_ij": -0.0191749681234293 - } - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1596810083934023 - } - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0280076399080743 - } - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0203617902165651 - } - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0137909422816069 - } - }, - { - "id1": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.1035527260355477 - } - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": 0.0005906989508489 - } - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0008788577943042 - } - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0010197474309318 - } - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1230795915811861 - } - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0020355308227728 - } - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0188275387196273 - } - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.014104894146201 - } - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": 0.0148690993346527 - } - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "611-14-3", - "name": "1-ethyl-2-methylbenzene", - "iupac_name": "1-ethyl-2-methylbenzene", - "smiles": "CCc1ccccc1C", - "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.000926420898174 - } - }, - { - "id1": { - "cas": "108-67-8", - "name": "1,3,5-trimethylbenzene", - "iupac_name": "1,3,5-trimethylbenzene", - "smiles": "Cc1cc(C)cc(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "872-55-9", - "name": "2-ethylthiophene", - "iupac_name": "2-ethylthiophene", - "smiles": "CCc1cccs1", - "inchi": "InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3" - }, - "model_record": { - "k_ij": 0.0272924231123065 - } - }, - { - "id1": { - "cas": "140-11-4", - "name": "acetic acid benzyl ester", - "iupac_name": "benzyl acetate", - "smiles": "CC(=O)OCc1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" - }, - "id2": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "model_record": { - "k_ij": -0.0412792242339384 - } - }, - { - "id1": { - "cas": "100-44-7", - "name": "benzyl chloride", - "iupac_name": "chloromethylbenzene", - "smiles": "ClCc1ccccc1", - "inchi": "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" - }, - "id2": { - "cas": "140-29-4", - "name": "benzylcyanide", - "iupac_name": "2-phenylacetonitrile", - "smiles": "N#CCc1ccccc1", - "inchi": "InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2" - }, - "model_record": { - "k_ij": -0.0020645373028982 - } - }, - { - "id1": { - "cas": "112-36-7", - "name": "diethylene glycol diethyl ether", - "iupac_name": "1-ethoxy-2-(2-ethoxyethoxy)ethane", - "smiles": "CCOCCOCCOCC", - "inchi": "InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0825990359886888 - } - }, - { - "id1": { - "cas": "107-51-7", - "name": "octamethyltrisiloxane", - "iupac_name": "dimethyl-bis(trimethylsilyloxy)silane", - "smiles": "C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C", - "inchi": "InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3" - }, - "id2": { - "cas": "556-67-2", - "name": "octamethylcyclotetrasiloxane", - "iupac_name": "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane", - "smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1", - "inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" - }, - "model_record": { - "k_ij": 0.0058807615038538 - } - }, - { - "id1": { - "cas": "119-65-3", - "name": "isoquinoline", - "iupac_name": "isoquinoline", - "smiles": "c1ccc2cnccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" - }, - "id2": { - "cas": "91-63-4", - "name": "quinaldine", - "iupac_name": "2-methylquinoline", - "smiles": "Cc1ccc2ccccc2n1", - "inchi": "InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3" - }, - "model_record": { - "k_ij": -0.0004669572487831 - } - }, - { - "id1": { - "cas": "119-65-3", - "name": "isoquinoline", - "iupac_name": "isoquinoline", - "smiles": "c1ccc2cnccc2c1", - "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" - }, - "id2": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0177860977290476 - } - }, - { - "id1": { - "cas": "91-63-4", - "name": "quinaldine", - "iupac_name": "2-methylquinoline", - "smiles": "Cc1ccc2ccccc2n1", - "inchi": "InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3" - }, - "id2": { - "cas": "491-35-0", - "name": "4-methylquinoline", - "iupac_name": "4-methylquinoline", - "smiles": "Cc1ccnc2ccccc12", - "inchi": "InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3" - }, - "model_record": { - "k_ij": 0.006662915458673 - } - }, - { - "id1": { - "cas": "79-92-5", - "name": "2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane", - "iupac_name": "2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane", - "smiles": "C=C1C2CCC(C2)C1(C)C", - "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3" - }, - "id2": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0149545015822847 - } - }, - { - "id1": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1319449056335991 - } - }, - { - "id1": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0261402321468098 - } - }, - { - "id1": { - "cas": "138-86-3", - "name": "limonene", - "iupac_name": "1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)C1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0042840976066065 - } - }, - { - "id1": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3" - }, - "id2": { - "cas": "294-62-2", - "name": "cyclododecane", - "iupac_name": "cyclododecane", - "smiles": "C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" - }, - "model_record": { - "k_ij": 0.0060557216203902 - } - }, - { - "id1": { - "cas": "112-42-5", - "name": "1-undecanol", - "iupac_name": "undecan-1-ol", - "smiles": "CCCCCCCCCCCO", - "inchi": "InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1251496458251009 - } - }, - { - "id1": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "142-28-9", - "name": "1,3-dichloropropane", - "iupac_name": "1,3-dichloropropane", - "smiles": "ClCCCCl", - "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" - }, - "model_record": { - "k_ij": 0.0249327222964848 - } - }, - { - "id1": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "model_record": { - "k_ij": 0.0051065985528436 - } - }, - { - "id1": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0944441018708071 - } - }, - { - "id1": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0307584309039533 - } - }, - { - "id1": { - "cas": "544-76-3", - "name": "hexadecane", - "iupac_name": "hexadecane", - "smiles": "CCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0137267190551551 - } - }, - { - "id1": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "id2": { - "cas": "109-43-3", - "name": "decanedioic acid dibutyl ester", - "iupac_name": "dibutyl decanedioate", - "smiles": "CCCCOC(=O)CCCCCCCCC(=O)OCCCC", - "inchi": "InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0004057978225725 - } - }, - { - "id1": { - "cas": "84-74-2", - "name": "phthalic acid dibutyl ester", - "iupac_name": "dibutyl benzene-1,2-dicarboxylate", - "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", - "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1156505627239705 - } - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "526-73-8", - "name": "1,2,3-trimethylbenzene", - "iupac_name": "1,2,3-trimethylbenzene", - "smiles": "Cc1cccc(C)c1C", - "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" - }, - "model_record": { - "k_ij": -0.0011277748747598 - } - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "model_record": { - "k_ij": 0.0022002156871595 - } - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "model_record": { - "k_ij": 0.0019410088469807 - } - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0042786361614275 - } - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1244601312325409 - } - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": 0.0172934943508001 - } - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "611-14-3", - "name": "1-ethyl-2-methylbenzene", - "iupac_name": "1-ethyl-2-methylbenzene", - "smiles": "CCc1ccccc1C", - "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0031204818712358 - } - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "620-14-4", - "name": "1-ethyl-3-methylbenzene", - "iupac_name": "1-ethyl-3-methylbenzene", - "smiles": "CCc1cccc(C)c1", - "inchi": "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0006821832399087 - } - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "622-96-8", - "name": "1-ethyl-4-methylbenzene", - "iupac_name": "1-ethyl-4-methylbenzene", - "smiles": "CCc1ccc(C)cc1", - "inchi": "InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.001772500830233 - } - }, - { - "id1": { - "cas": "95-63-6", - "name": "1,2,4-trimethylbenzene", - "iupac_name": "1,2,4-trimethylbenzene", - "smiles": "Cc1ccc(C)c(C)c1", - "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.002496399362156 - } - }, - { - "id1": { - "cas": "29911-28-2", - "name": "dipropylene glycol butyl ether", - "iupac_name": "1-(1-butoxypropan-2-yloxy)propan-2-ol", - "smiles": "CCCCOCC(C)OCC(C)O", - "inchi": "InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3" - }, - "id2": { - "cas": "5131-66-8", - "name": "1,2-propylene glycol 1-monobutylether", - "iupac_name": "1-butoxypropan-2-ol", - "smiles": "CCCCOCC(C)O", - "inchi": "InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0353434575947434 - } - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.007839507978003 - } - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0156738093529266 - } - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "112-41-4", - "name": "1-dodecene", - "iupac_name": "dodec-1-ene", - "smiles": "C=CCCCCCCCCCC", - "inchi": "InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3" - }, - "model_record": { - "k_ij": 0.0080321643449147 - } - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1033013340436846 - } - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0045908279572407 - } - }, - { - "id1": { - "cas": "112-53-8", - "name": "1-dodecanol", - "iupac_name": "dodecan-1-ol", - "smiles": "CCCCCCCCCCCCO", - "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0907433462907529 - } - }, - { - "id1": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "id2": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "model_record": { - "k_ij": -0.0188571678997941 - } - }, - { - "id1": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "id2": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "model_record": { - "k_ij": -0.016931493188631 - } - }, - { - "id1": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.045287523760565 - } - }, - { - "id1": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0048797777179201 - } - }, - { - "id1": { - "cas": "126-33-0", - "name": "sulfolane", - "iupac_name": "thiolane 1,1-dioxide", - "smiles": "O=S1(=O)CCCC1", - "inchi": "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.0329265099792249 - } - }, - { - "id1": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "id2": { - "cas": "111-42-2", - "name": "2,2'-diethanolamine (dea)", - "iupac_name": "2-(2-hydroxyethylamino)ethanol", - "smiles": "OCCNCCO", - "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" - }, - "model_record": { - "k_ij": 0.1221760455195971 - } - }, - { - "id1": { - "cas": "141-43-5", - "name": "monoethanolamine", - "iupac_name": "2-aminoethanol", - "smiles": "NCCO", - "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0789765708973801 - } - }, - { - "id1": { - "cas": "1081-77-2", - "name": "nonylbenzene", - "iupac_name": "nonylbenzene", - "smiles": "CCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1451218171400305 - } - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "model_record": { - "k_ij": 0.0042983006585053 - } - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.002185941200462 - } - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0217338914134937 - } - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0472054873324111 - } - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0449138371096426 - } - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0517581924875077 - } - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.010887236110625 - } - }, - { - "id1": { - "cas": "76-15-3", - "name": "chloroperfluoroethane [r115]", - "iupac_name": "1-chloro-1,1,2,2,2-pentafluoroethane", - "smiles": "FC(F)(F)C(F)(F)Cl", - "inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0299704332756561 - } - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-43-4", - "name": "dichlorofluoromethane [r21]", - "iupac_name": "dichloro(fluoro)methane", - "smiles": "FC(Cl)Cl", - "inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0210612359597999 - } - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": -0.0052100036814138 - } - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": 0.0288363132779154 - } - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0349033016765003 - } - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.060652141718933 - } - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": 0.0557898569992957 - } - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "76-12-0", - "name": "1,1,2,2-tetrachloro-1,2-difluoroethane [r112]", - "iupac_name": "1,1,2,2-tetrachloro-1,2-difluoroethane", - "smiles": "FC(Cl)(Cl)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8" - }, - "model_record": { - "k_ij": 0.0146701822383914 - } - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0403204454311001 - } - }, - { - "id1": { - "cas": "76-14-2", - "name": "1,2-dichlorotetrafluoroethane [r114]", - "iupac_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "335-36-4", - "name": "perfluoro-2-butyltetrahydrofuran", - "iupac_name": "2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6" - }, - "model_record": { - "k_ij": 0.0227420179037804 - } - }, - { - "id1": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1724140985111537 - } - }, - { - "id1": { - "cas": "629-78-7", - "name": "heptadecane", - "iupac_name": "heptadecane", - "smiles": "CCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0225412945220815 - } - }, - { - "id1": { - "cas": "110-05-4", - "name": "di-tert.butyl peroxide", - "iupac_name": "2-tert-butylperoxy-2-methylpropane", - "smiles": "CC(C)(C)OOC(C)(C)C", - "inchi": "InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3" - }, - "id2": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "model_record": { - "k_ij": -0.0068604087030279 - } - }, - { - "id1": { - "cas": "75-91-2", - "name": "tert.butyl hydroperoxide", - "iupac_name": "2-hydroperoxy-2-methylpropane", - "smiles": "CC(C)(C)OO", - "inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.152426859930917 - } - }, - { - "id1": { - "cas": "141-79-7", - "name": "4-methyl-3-penten-2-one", - "iupac_name": "4-methylpent-3-en-2-one", - "smiles": "CC(=O)C=C(C)C", - "inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" - }, - "id2": { - "cas": "78-59-1", - "name": "3,5,5-trimethyl-2-cyclohexen-1-one", - "iupac_name": "3,5,5-trimethylcyclohex-2-en-1-one", - "smiles": "CC1=CC(=O)CC(C)(C)C1", - "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0060308965207565 - } - }, - { - "id1": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "id2": { - "cas": "110-01-0", - "name": "tetrahydrothiophene", - "iupac_name": "thiolane", - "smiles": "C1CCSC1", - "inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" - }, - "model_record": { - "k_ij": -0.0008804865897949 - } - }, - { - "id1": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "id2": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0060489410419607 - } - }, - { - "id1": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "id2": { - "cas": "554-14-3", - "name": "2-methyl thiophene", - "iupac_name": "2-methylthiophene", - "smiles": "Cc1cccs1", - "inchi": "InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0057914950170293 - } - }, - { - "id1": { - "cas": "107-39-1", - "name": "2,4,4-trimethyl-1-pentene", - "iupac_name": "2,4,4-trimethylpent-1-ene", - "smiles": "C=C(C)CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0049400279865123 - } - }, - { - "id1": { - "cas": "617-84-5", - "name": "n,n-diethylformamide", - "iupac_name": "n,n-diethylformamide", - "smiles": "CCN(C=O)CC", - "inchi": "InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 7.176413043656005 - } - }, - { - "id1": { - "cas": "111-55-7", - "name": "ethylene glycol diacetate", - "iupac_name": "2-acetyloxyethyl acetate", - "smiles": "CC(=O)OCCOC(C)=O", - "inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3" - }, - "id2": { - "cas": "542-59-6", - "name": "glycol monoacetate", - "iupac_name": "2-hydroxyethyl acetate", - "smiles": "CC(=O)OCCO", - "inchi": "InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0139315793534774 - } - }, - { - "id1": { - "cas": "108-75-8", - "name": "2,4,6-trimethylpyridine", - "iupac_name": "2,4,6-trimethylpyridine", - "smiles": "Cc1cc(C)nc(C)c1", - "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" - }, - "id2": { - "cas": "538-93-2", - "name": "isobutylbenzene", - "iupac_name": "2-methylpropylbenzene", - "smiles": "CC(C)Cc1ccccc1", - "inchi": "InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0022071457895378 - } - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0089083417731424 - } - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.022733429625848 - } - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0876675803982376 - } - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0330314389388919 - } - }, - { - "id1": { - "cas": "74-93-1", - "name": "methanethiol", - "iupac_name": "methanethiol", - "smiles": "CS", - "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0100177421331042 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.0223751445513257 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "565-80-0", - "name": "2,4-dimethyl-3-pentanone", - "iupac_name": "2,4-dimethylpentan-3-one", - "smiles": "CC(C)C(=O)C(C)C", - "inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" - }, - "model_record": { - "k_ij": 0.0125612285212776 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0084840987531774 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0091725867530884 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": -0.0043649805687393 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.003385810748697 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0107287743715352 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0054323525181097 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0080601322437931 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0470089339503685 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.1266434994947898 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0182965665349077 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0476009791023661 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0225652137180772 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.0926944719533256 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": -0.0731961048301624 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": -0.0456393570768635 - } - }, - { - "id1": { - "cas": "115-10-6", - "name": "dimethyl ether", - "iupac_name": "methoxymethane", - "smiles": "COC", - "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3" - }, - "id2": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "FC(F)C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "model_record": { - "k_ij": -0.0640147952519326 - } - }, - { - "id1": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0495929043650169 - } - }, - { - "id1": { - "cas": "74-87-3", - "name": "methyl chloride", - "iupac_name": "chloromethane", - "smiles": "CCl", - "inchi": "InChI=1S/CH3Cl/c1-2/h1H3" - }, - "id2": { - "cas": "593-53-3", - "name": "methyl fluoride [r41]", - "iupac_name": "fluoromethane", - "smiles": "CF", - "inchi": "InChI=1S/CH3F/c1-2/h1H3" - }, - "model_record": { - "k_ij": 0.0337519831771201 - } - }, - { - "id1": { - "cas": "920-66-1", - "name": "1,1,1,3,3,3-hexafluoro-2-propanol", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-ol", - "smiles": "OC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H" - }, - "id2": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "model_record": { - "k_ij": -0.2753970525638129 - } - }, - { - "id1": { - "cas": "920-66-1", - "name": "1,1,1,3,3,3-hexafluoro-2-propanol", - "iupac_name": "1,1,1,3,3,3-hexafluoropropan-2-ol", - "smiles": "OC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H" - }, - "id2": { - "cas": "7226-23-5", - "name": "n,n'-dimethylpropylene urea ", - "iupac_name": "1,3-dimethyl-1,3-diazinan-2-one", - "smiles": "CN1CCCN(C)C1=O", - "inchi": "InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.2830355013287862 - } - }, - { - "id1": { - "cas": "111-36-4", - "name": "isocyanic acid butyl ester", - "iupac_name": "1-isocyanatobutane", - "smiles": "CCCCN=C=O", - "inchi": "InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3" - }, - "id2": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "model_record": { - "k_ij": 0.0290513206611038 - } - }, - { - "id1": { - "cas": "84-66-2", - "name": "phthalic acid diethyl ester", - "iupac_name": "diethyl benzene-1,2-dicarboxylate", - "smiles": "CCOC(=O)c1ccccc1C(=O)OCC", - "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0032644061565083 - } - }, - { - "id1": { - "cas": "84-66-2", - "name": "phthalic acid diethyl ester", - "iupac_name": "diethyl benzene-1,2-dicarboxylate", - "smiles": "CCOC(=O)c1ccccc1C(=O)OCC", - "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1006106073756509 - } - }, - { - "id1": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0087706367076621 - } - }, - { - "id1": { - "cas": "693-02-7", - "name": "1-hexyne", - "iupac_name": "hex-1-yne", - "smiles": "C#CCCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0500532116760175 - } - }, - { - "id1": { - "cas": "628-71-7", - "name": "1-heptyne", - "iupac_name": "hept-1-yne", - "smiles": "C#CCCCCC", - "inchi": "InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3" - }, - "id2": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "model_record": { - "k_ij": 0.0048299187695414 - } - }, - { - "id1": { - "cas": "563-79-1", - "name": "2,3-dimethyl-2-butene", - "iupac_name": "2,3-dimethylbut-2-ene", - "smiles": "CC(C)=C(C)C", - "inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.0049001777097317 - } - }, - { - "id1": { - "cas": "2467-10-9", - "name": "1,1,1,5-tetrachloropentane", - "iupac_name": "1,1,1,5-tetrachloropentane", - "smiles": "ClCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2" - }, - "id2": { - "cas": "3922-36-9", - "name": "1,1,1,7-tetrachloroheptane", - "iupac_name": "1,1,1,7-tetrachloroheptane", - "smiles": "ClCCCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C7H12Cl4/c8-6-4-2-1-3-5-7(9,10)11/h1-6H2" - }, - "model_record": { - "k_ij": -0.0285726422343585 - } - }, - { - "id1": { - "cas": "2467-10-9", - "name": "1,1,1,5-tetrachloropentane", - "iupac_name": "1,1,1,5-tetrachloropentane", - "smiles": "ClCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.006437785362862 - } - }, - { - "id1": { - "cas": "3922-36-9", - "name": "1,1,1,7-tetrachloroheptane", - "iupac_name": "1,1,1,7-tetrachloroheptane", - "smiles": "ClCCCCCCC(Cl)(Cl)Cl", - "inchi": "InChI=1S/C7H12Cl4/c8-6-4-2-1-3-5-7(9,10)11/h1-6H2" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": -0.008969632683349 - } - }, - { - "id1": { - "cas": "696-29-7", - "name": "isopropylcyclohexane", - "iupac_name": "propan-2-ylcyclohexane", - "smiles": "CC(C)C1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1241254652809353 - } - }, - { - "id1": { - "cas": "76-05-1", - "name": "trifluoroacetic acid", - "iupac_name": "2,2,2-trifluoroacetic acid", - "smiles": "O=C(O)C(F)(F)F", - "inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "model_record": { - "k_ij": -0.0224085527263759 - } - }, - { - "id1": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0064424619118586 - } - }, - { - "id1": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1355473144388384 - } - }, - { - "id1": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0007866742763278 - } - }, - { - "id1": { - "cas": "592-76-7", - "name": "1-heptene", - "iupac_name": "hept-1-ene", - "smiles": "C=CCCCCC", - "inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" - }, - "id2": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0118638114211163 - } - }, - { - "id1": { - "cas": "105-66-8", - "name": "butanoic acid propyl ester", - "iupac_name": "propyl butanoate", - "smiles": "CCCOC(=O)CCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0026545930188423 - } - }, - { - "id1": { - "cas": "112-14-1", - "name": "octyl acetate", - "iupac_name": "octyl acetate", - "smiles": "CCCCCCCCOC(C)=O", - "inchi": "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1119953994000931 - } - }, - { - "id1": { - "cas": "110-63-4", - "name": "1,4-butanediol", - "iupac_name": "butane-1,4-diol", - "smiles": "OCCCCO", - "inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "model_record": { - "k_ij": -0.1005898823347985 - } - }, - { - "id1": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "626-93-7", - "name": "2-hexanol", - "iupac_name": "hexan-2-ol", - "smiles": "CCCCC(C)O", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0253027293067637 - } - }, - { - "id1": { - "cas": "591-78-6", - "name": "2-hexanone", - "iupac_name": "hexan-2-one", - "smiles": "CCCCC(C)=O", - "inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0653443595008068 - } - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0022287163482549 - } - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "367-11-3", - "name": "1,2-difluorobenzene", - "iupac_name": "1,2-difluorobenzene", - "smiles": "Fc1ccccc1F", - "inchi": "InChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "model_record": { - "k_ij": -0.0158651633286487 - } - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "372-18-9", - "name": "1,3-difluorobenzene", - "iupac_name": "1,3-difluorobenzene", - "smiles": "Fc1cccc(F)c1", - "inchi": "InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "model_record": { - "k_ij": -0.0182945557893733 - } - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "540-36-3", - "name": "1,4-difluorobenzene", - "iupac_name": "1,4-difluorobenzene", - "smiles": "Fc1ccc(F)cc1", - "inchi": "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" - }, - "model_record": { - "k_ij": -0.0209836524048045 - } - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.0256398771807967 - } - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.035225729939285 - } - }, - { - "id1": { - "cas": "96-48-0", - "name": "gamma-butyrolactone", - "iupac_name": "oxolan-2-one", - "smiles": "O=C1CCCO1", - "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.0473350268592604 - } - }, - { - "id1": { - "cas": "1003-38-9", - "name": "2,5-dimethyltetrahydrofuran", - "iupac_name": "2,5-dimethyloxolane", - "smiles": "CC1CCC(C)O1", - "inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": 0.0065330283774738 - } - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0151525270663964 - } - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0367499318965784 - } - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.1109947312342993 - } - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0261051495012033 - } - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0076637180172646 - } - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.002512187833686 - } - }, - { - "id1": { - "cas": "112-49-2", - "name": "triethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane", - "smiles": "COCCOCCOCCOC", - "inchi": "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.022403110562673 - } - }, - { - "id1": { - "cas": "95-53-4", - "name": "o-methylaniline", - "iupac_name": "2-methylaniline", - "smiles": "Cc1ccccc1N", - "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" - }, - "id2": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "model_record": { - "k_ij": -0.0534434476362332 - } - }, - { - "id1": { - "cas": "60-01-5", - "name": "butanoic acid-1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(butanoyloxy)propyl butanoate", - "smiles": "CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC", - "inchi": "InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0612171813583804 - } - }, - { - "id1": { - "cas": "60-01-5", - "name": "butanoic acid-1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(butanoyloxy)propyl butanoate", - "smiles": "CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC", - "inchi": "InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3" - }, - "id2": { - "cas": "621-70-5", - "name": "hexanoic acid 1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(hexanoyloxy)propyl hexanoate", - "smiles": "CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC", - "inchi": "InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0196587119884271 - } - }, - { - "id1": { - "cas": "112-62-9", - "name": "methyl oleate", - "iupac_name": "methyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1008915117894976 - } - }, - { - "id1": { - "cas": "112-62-9", - "name": "methyl oleate", - "iupac_name": "methyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", - "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0019007838620359 - } - }, - { - "id1": { - "cas": "629-92-5", - "name": "nonadecane", - "iupac_name": "nonadecane", - "smiles": "CCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0020295663431807 - } - }, - { - "id1": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1553122085112225 - } - }, - { - "id1": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.103021730121431 - } - }, - { - "id1": { - "cas": "355-02-2", - "name": "perfluoromethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F", - "inchi": "InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12" - }, - "id2": { - "cas": "363-72-4", - "name": "pentafluorobenzene", - "iupac_name": "1,2,3,4,5-pentafluorobenzene", - "smiles": "Fc1cc(F)c(F)c(F)c1F", - "inchi": "InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" - }, - "model_record": { - "k_ij": 0.0279990632245858 - } - }, - { - "id1": { - "cas": "75-97-8", - "name": "3,3-dimethyl-2-butanone", - "iupac_name": "3,3-dimethylbutan-2-one", - "smiles": "CC(=O)C(C)(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0014255955295188 - } - }, - { - "id1": { - "cas": "75-97-8", - "name": "3,3-dimethyl-2-butanone", - "iupac_name": "3,3-dimethylbutan-2-one", - "smiles": "CC(=O)C(C)(C)C", - "inchi": "InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0822487851929283 - } - }, - { - "id1": { - "cas": "137-32-6", - "name": "2-methyl-1-butanol", - "iupac_name": "2-methylbutan-1-ol", - "smiles": "CCC(C)CO", - "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0917330203818513 - } - }, - { - "id1": { - "cas": "6032-29-7", - "name": "2-pentanol", - "iupac_name": "pentan-2-ol", - "smiles": "CCCC(C)O", - "inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0784199922326423 - } - }, - { - "id1": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": -0.0263050302160675 - } - }, - { - "id1": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1058156864563501 - } - }, - { - "id1": { - "cas": "75-85-4", - "name": "tert-pentanol", - "iupac_name": "2-methylbutan-2-ol", - "smiles": "CCC(C)(C)O", - "inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0055486557003384 - } - }, - { - "id1": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0044339236227971 - } - }, - { - "id1": { - "cas": "74-95-3", - "name": "dibromomethane [r30b2]", - "iupac_name": "dibromomethane", - "smiles": "BrCBr", - "inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-62-7", - "name": "bromotrichloromethane [r10b1]", - "iupac_name": "bromo(trichloro)methane", - "smiles": "ClC(Cl)(Cl)Br", - "inchi": "InChI=1S/CBrCl3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0109999113169096 - } - }, - { - "id1": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "id2": { - "cas": "106-43-4", - "name": "p-chlorotoluene", - "iupac_name": "1-chloro-4-methylbenzene", - "smiles": "Cc1ccc(Cl)cc1", - "inchi": "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" - }, - "model_record": { - "k_ij": 0.0003492264893913 - } - }, - { - "id1": { - "cas": "95-49-8", - "name": "o-chlorotoluene", - "iupac_name": "1-chloro-2-methylbenzene", - "smiles": "Cc1ccccc1Cl", - "inchi": "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1340958948288794 - } - }, - { - "id1": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1023853424133923 - } - }, - { - "id1": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0179258581885677 - } - }, - { - "id1": { - "cas": "93-89-0", - "name": "ethyl benzoate", - "iupac_name": "ethyl benzoate", - "smiles": "CCOC(=O)c1ccccc1", - "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" - }, - "id2": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "model_record": { - "k_ij": -0.0023024082485156 - } - }, - { - "id1": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "id2": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.008471465995134 - } - }, - { - "id1": { - "cas": "106-94-5", - "name": "propyl bromide", - "iupac_name": "1-bromopropane", - "smiles": "CCCBr", - "inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3" - }, - "id2": { - "cas": "592-50-7", - "name": "1-fluoropentane", - "iupac_name": "1-fluoropentane", - "smiles": "CCCCCF", - "inchi": "InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0052310289756485 - } - }, - { - "id1": { - "cas": "1569-01-3", - "name": "1-propoxy-2-propanol", - "iupac_name": "1-propoxypropan-2-ol", - "smiles": "CCCOCC(C)O", - "inchi": "InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0008801162339304 - } - }, - { - "id1": { - "cas": "623-42-7", - "name": "methyl butanoate", - "iupac_name": "methyl butanoate", - "smiles": "CCCC(=O)OC", - "inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "540-18-1", - "name": "amyl butyrate", - "iupac_name": "pentyl butanoate", - "smiles": "CCCCCOC(=O)CCC", - "inchi": "InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0013855272515818 - } - }, - { - "id1": { - "cas": "36653-82-4", - "name": "1-hexadecanol", - "iupac_name": "hexadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0013212371995747 - } - }, - { - "id1": { - "cas": "112-92-5", - "name": "1-octadecanol", - "iupac_name": "octadecan-1-ol", - "smiles": "CCCCCCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0099526329084216 - } - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "112-72-1", - "name": "1-tetradecanol", - "iupac_name": "tetradecan-1-ol", - "smiles": "CCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3" - }, - "model_record": { - "k_ij": 0.0097470661466026 - } - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "693-65-2", - "name": "dipentyl ether", - "iupac_name": "1-pentoxypentane", - "smiles": "CCCCCOCCCCC", - "inchi": "InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0020586608760171 - } - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "294-62-2", - "name": "cyclododecane", - "iupac_name": "cyclododecane", - "smiles": "C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" - }, - "model_record": { - "k_ij": -0.0104126069682509 - } - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1341485825721458 - } - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1319613964466659 - } - }, - { - "id1": { - "cas": "1120-21-4", - "name": "n-undecane", - "iupac_name": "undecane", - "smiles": "CCCCCCCCCCC", - "inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.068443846134713 - } - }, - { - "id1": { - "cas": "3221-61-2", - "name": "2-methyloctane", - "iupac_name": "2-methyloctane", - "smiles": "CCCCCCC(C)C", - "inchi": "InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3" - }, - "id2": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0049812426550662 - } - }, - { - "id1": { - "cas": "3221-61-2", - "name": "2-methyloctane", - "iupac_name": "2-methyloctane", - "smiles": "CCCCCCC(C)C", - "inchi": "InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3" - }, - "id2": { - "cas": "592-27-8", - "name": "2-methylheptane", - "iupac_name": "2-methylheptane", - "smiles": "CCCCCC(C)C", - "inchi": "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 3.3662794894493805e-05 - } - }, - { - "id1": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1280902569485876 - } - }, - { - "id1": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0026739592499701 - } - }, - { - "id1": { - "cas": "108-32-7", - "name": "propylene carbonate", - "iupac_name": "4-methyl-1,3-dioxolan-2-one", - "smiles": "CC1COC(=O)O1", - "inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0735394762000023 - } - }, - { - "id1": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "smiles": "CCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1477677198500711 - } - }, - { - "id1": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "smiles": "CCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1246425732162999 - } - }, - { - "id1": { - "cas": "2189-60-8", - "name": "octylbenzene", - "iupac_name": "octylbenzene", - "smiles": "CCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0784709956558002 - } - }, - { - "id1": { - "cas": "112-41-4", - "name": "1-dodecene", - "iupac_name": "dodec-1-ene", - "smiles": "C=CCCCCCCCCCC", - "inchi": "InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3" - }, - "id2": { - "cas": "95-15-8", - "name": "benzo(b)thiophene", - "iupac_name": "1-benzothiophene", - "smiles": "c1ccc2sccc2c1", - "inchi": "InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H" - }, - "model_record": { - "k_ij": -0.0006614063885686 - } - }, - { - "id1": { - "cas": "66-25-1", - "name": "hexanal", - "iupac_name": "hexanal", - "smiles": "CCCCCC=O", - "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0906062395890699 - } - }, - { - "id1": { - "cas": "124-19-6", - "name": "nonanal", - "iupac_name": "nonanal", - "smiles": "CCCCCCCCC=O", - "inchi": "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0837078776708349 - } - }, - { - "id1": { - "cas": "591-76-4", - "name": "2-methylhexane", - "iupac_name": "2-methylhexane", - "smiles": "CCCCC(C)C", - "inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" - }, - "id2": { - "cas": "592-27-8", - "name": "2-methylheptane", - "iupac_name": "2-methylheptane", - "smiles": "CCCCCC(C)C", - "inchi": "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": -0.0057141398805084 - } - }, - { - "id1": { - "cas": "120-80-9", - "name": "1,2-dihydroxybenzene ", - "iupac_name": "benzene-1,2-diol", - "smiles": "Oc1ccccc1O", - "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" - }, - "id2": { - "cas": "150-76-5", - "name": "p-methoxyphenol", - "iupac_name": "4-methoxyphenol", - "smiles": "COc1ccc(O)cc1", - "inchi": "InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3" - }, - "model_record": { - "k_ij": 0.0045442024562843 - } - }, - { - "id1": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0054655717554541 - } - }, - { - "id1": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0773023778691937 - } - }, - { - "id1": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "id2": { - "cas": "108-85-0", - "name": "bromocyclohexane", - "iupac_name": "bromocyclohexane", - "smiles": "BrC1CCCCC1", - "inchi": "InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2" - }, - "model_record": { - "k_ij": -0.0064797228569687 - } - }, - { - "id1": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "id2": { - "cas": "543-59-9", - "name": "1-chloropentane", - "iupac_name": "1-chloropentane", - "smiles": "CCCCCCl", - "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0078293523675728 - } - }, - { - "id1": { - "cas": "142-68-7", - "name": "tetrahydropyran", - "iupac_name": "oxane", - "smiles": "C1CCOCC1", - "inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2" - }, - "id2": { - "cas": "544-10-5", - "name": "1-chlorohexane", - "iupac_name": "1-chlorohexane", - "smiles": "CCCCCCCl", - "inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": -0.0107951310233746 - } - }, - { - "id1": { - "cas": "91-17-8", - "name": "decalin ", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CCC2CCCCC2C1", - "inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.3343949560082736 - } - }, - { - "id1": { - "cas": "91-17-8", - "name": "decalin ", - "iupac_name": "1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene", - "smiles": "C1CCC2CCCCC2C1", - "inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0614909552985333 - } - }, - { - "id1": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1203657768647791 - } - }, - { - "id1": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "id2": { - "cas": "110-59-8", - "name": "pentanenitrile", - "iupac_name": "pentanenitrile", - "smiles": "CCCCC#N", - "inchi": "InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.003742962640221 - } - }, - { - "id1": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "id2": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "model_record": { - "k_ij": -0.0028988137044485 - } - }, - { - "id1": { - "cas": "95-50-1", - "name": "o-dichlorobenzene", - "iupac_name": "1,2-dichlorobenzene", - "smiles": "Clc1ccccc1Cl", - "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" - }, - "id2": { - "cas": "541-73-1", - "name": "m-dichlorobenzene", - "iupac_name": "1,3-dichlorobenzene", - "smiles": "Clc1cccc(Cl)c1", - "inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H" - }, - "model_record": { - "k_ij": 0.0013123583222816 - } - }, - { - "id1": { - "cas": "90-05-1", - "name": "2-methoxyphenol", - "iupac_name": "2-methoxyphenol", - "smiles": "COc1ccccc1O", - "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0713069410909969 - } - }, - { - "id1": { - "cas": "626-67-5", - "name": "n-methylpiperidine", - "iupac_name": "1-methylpiperidine", - "smiles": "CN1CCCCC1", - "inchi": "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" - }, - "id2": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.007303124289678 - } - }, - { - "id1": { - "cas": "123-54-6", - "name": "2,4-pentanedione", - "iupac_name": "pentane-2,4-dione", - "smiles": "CC(=O)CC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3" - }, - "id2": { - "cas": "108-22-5", - "name": "isopropenyl acetate", - "iupac_name": "prop-1-en-2-yl acetate", - "smiles": "C=C(C)OC(C)=O", - "inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3" - }, - "model_record": { - "k_ij": 0.0250879128785175 - } - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.0005114837810428 - } - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0032655509244404 - } - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0514992793761948 - } - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": -0.0066903303696089 - } - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0052923249596359 - } - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "107-40-4", - "name": "2,4,4-trimethyl-2-pentene", - "iupac_name": "2,4,4-trimethylpent-2-ene", - "smiles": "CC(C)=CC(C)(C)C", - "inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" - }, - "model_record": { - "k_ij": 0.011383713557495 - } - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "625-86-5", - "name": "2,5-dimethylfuran", - "iupac_name": "2,5-dimethylfuran", - "smiles": "Cc1ccc(C)o1", - "inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" - }, - "model_record": { - "k_ij": 1.384276432464544e-05 - } - }, - { - "id1": { - "cas": "1634-04-4", - "name": "methyl tert-butyl ether (mtbe)", - "iupac_name": "2-methoxy-2-methylpropane", - "smiles": "COC(C)(C)C", - "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" - }, - "id2": { - "cas": "764-35-2", - "name": "2-hexyne", - "iupac_name": "hex-2-yne", - "smiles": "CC#CCCC", - "inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0016118735755971 - } - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "model_record": { - "k_ij": -0.0136985837660279 - } - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0545917586032085 - } - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0114814039626288 - } - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.124480201863132 - } - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0413444509128146 - } - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0195941989433217 - } - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": -0.0858197350025975 - } - }, - { - "id1": { - "cas": "111-96-6", - "name": "diethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-(2-methoxyethoxy)ethane", - "smiles": "COCCOCCOC", - "inchi": "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0483778539190648 - } - }, - { - "id1": { - "cas": "112-72-1", - "name": "1-tetradecanol", - "iupac_name": "tetradecan-1-ol", - "smiles": "CCCCCCCCCCCCCCO", - "inchi": "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0033684979828394 - } - }, - { - "id1": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1258101416887732 - } - }, - { - "id1": { - "cas": "142-29-0", - "name": "cyclopentene", - "iupac_name": "cyclopentene", - "smiles": "C1=CCCC1", - "inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2" - }, - "id2": { - "cas": "5614-37-9", - "name": "methoxycyclopentane", - "iupac_name": "methoxycyclopentane", - "smiles": "COC1CCCC1", - "inchi": "InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0109110914507342 - } - }, - { - "id1": { - "cas": "994-05-8", - "name": "methyl tert-amyl ether (tame)", - "iupac_name": "2-methoxy-2-methylbutane", - "smiles": "CCC(C)(C)OC", - "inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" - }, - "id2": { - "cas": "919-94-8", - "name": "ethyl tert-amyl ether", - "iupac_name": "2-ethoxy-2-methylbutane", - "smiles": "CCOC(C)(C)CC", - "inchi": "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" - }, - "model_record": { - "k_ij": 3.494451264120715e-05 - } - }, - { - "id1": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1322436445338786 - } - }, - { - "id1": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0097752377253068 - } - }, - { - "id1": { - "cas": "5989-27-5", - "name": "d-(+)-limonene", - "iupac_name": "(4r)-1-methyl-4-prop-1-en-2-ylcyclohexene", - "smiles": "C=C(C)[C@H]1CC=C(C)CC1", - "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" - }, - "id2": { - "cas": "2244-16-8", - "name": "(s)-(+)-carvone", - "iupac_name": "(5s)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one", - "smiles": "C=C(C)[C@@H]1CC=C(C)C(=O)C1", - "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1" - }, - "model_record": { - "k_ij": 0.0069785201233177 - } - }, - { - "id1": { - "cas": "142-92-7", - "name": "hexyl acetate", - "iupac_name": "hexyl acetate", - "smiles": "CCCCCCOC(C)=O", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0832737754627806 - } - }, - { - "id1": { - "cas": "110-67-8", - "name": "3-methoxy propionitrile", - "iupac_name": "3-methoxypropanenitrile", - "smiles": "COCCC#N", - "inchi": "InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3" - }, - "id2": { - "cas": "627-20-3", - "name": "cis-2-pentene", - "iupac_name": "(z)-pent-2-ene", - "smiles": "C/C=C\\CC", - "inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-" - }, - "model_record": { - "k_ij": 0.0333115713053377 - } - }, - { - "id1": { - "cas": "539-82-2", - "name": "ethyl valerate", - "iupac_name": "ethyl pentanoate", - "smiles": "CCCCC(=O)OCC", - "inchi": "InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0733089822231559 - } - }, - { - "id1": { - "cas": "1190-76-7", - "name": "cis-crotonitrile", - "iupac_name": "(z)-but-2-enenitrile", - "smiles": "C/C=C\\C#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-" - }, - "id2": { - "cas": "109-75-1", - "name": "allylcyanide", - "iupac_name": "but-3-enenitrile", - "smiles": "C=CCC#N", - "inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2" - }, - "model_record": { - "k_ij": -0.0009724061648092 - } - }, - { - "id1": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0198723507813855 - } - }, - { - "id1": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0483736149960231 - } - }, - { - "id1": { - "cas": "75-63-8", - "name": "trifluorobromomethane [r13b1]", - "iupac_name": "bromo(trifluoro)methane", - "smiles": "FC(F)(F)Br", - "inchi": "InChI=1S/CBrF3/c2-1(3,4)5" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.028679106716644 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0342954590736037 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": -0.0042250648864174 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0247351823897306 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": -0.0883503842425245 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0190735707817181 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0066199710345167 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0097168561399185 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0172628855160368 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "353-59-3", - "name": "bromochlorodifluoromethane [r12b1]", - "iupac_name": "bromo-chloro-difluoromethane", - "smiles": "FC(F)(Cl)Br", - "inchi": "InChI=1S/CBrClF2/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0463993445403941 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": 0.0565000356167726 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0163425551377233 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0164049303071745 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0075851037379046 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0174435223945644 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0175586370987714 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": -0.0324415246950473 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0180982638284829 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.0208062488104146 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0320990926347675 - } - }, - { - "id1": { - "cas": "75-37-6", - "name": "1,1-difluoroethane [r152a]", - "iupac_name": "1,1-difluoroethane", - "smiles": "CC(F)F", - "inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0100447631522153 - } - }, - { - "id1": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0351103534387574 - } - }, - { - "id1": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.2790486514437547 - } - }, - { - "id1": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0124542559534964 - } - }, - { - "id1": { - "cas": "75-08-1", - "name": "ethanethiol", - "iupac_name": "ethanethiol", - "smiles": "CCS", - "inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0089873940834563 - } - }, - { - "id1": { - "cas": "78-86-4", - "name": "sec-butyl chloride", - "iupac_name": "2-chlorobutane", - "smiles": "CCC(C)Cl", - "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3" - }, - "id2": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0031303358415554 - } - }, - { - "id1": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1988794609003523 - } - }, - { - "id1": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0686617775667739 - } - }, - { - "id1": { - "cas": "85-01-8", - "name": "phenanthrene", - "iupac_name": "phenanthrene", - "smiles": "c1ccc2c(c1)ccc1ccccc12", - "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.1524455616266143 - } - }, - { - "id1": { - "cas": "589-98-0", - "name": "3-octanol", - "iupac_name": "octan-3-ol", - "smiles": "CCCCCC(O)CC", - "inchi": "InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.009419734216033 - } - }, - { - "id1": { - "cas": "123-96-6", - "name": "2-octanol", - "iupac_name": "octan-2-ol", - "smiles": "CCCCCCC(C)O", - "inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1039012915398134 - } - }, - { - "id1": { - "cas": "1077-16-3", - "name": "hexylbenzene", - "iupac_name": "hexylbenzene", - "smiles": "CCCCCCc1ccccc1", - "inchi": "InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1403333044541481 - } - }, - { - "id1": { - "cas": "109-74-0", - "name": "butanenitrile", - "iupac_name": "butanenitrile", - "smiles": "CCCC#N", - "inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0198639315298998 - } - }, - { - "id1": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0391818731942171 - } - }, - { - "id1": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0210335001388789 - } - }, - { - "id1": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.00637984270191 - } - }, - { - "id1": { - "cas": "2837-89-0", - "name": "1-chloro-1,2,2,2-tetrafluoroethane [r124]", - "iupac_name": "2-chloro-1,1,1,2-tetrafluoroethane", - "smiles": "FC(Cl)C(F)(F)F", - "inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0020281520089477 - } - }, - { - "id1": { - "cas": "542-55-2", - "name": "isobutyl formate", - "iupac_name": "2-methylpropyl formate", - "smiles": "CC(C)COC=O", - "inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.032421601372338 - } - }, - { - "id1": { - "cas": "105-30-6", - "name": "2-methyl-1-pentanol", - "iupac_name": "2-methylpentan-1-ol", - "smiles": "CCCC(C)CO", - "inchi": "InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.0705479085730292 - } - }, - { - "id1": { - "cas": "594-27-4", - "name": "tetramethylstannane", - "iupac_name": "tetramethylstannane", - "smiles": "[CH3].[CH3].[CH3].[CH3].[Sn]", - "inchi": "InChI=1S/4CH3.Sn/h4*1H3;" - }, - "id2": { - "cas": "1445-79-0", - "name": "trimethylgallium", - "iupac_name": "trimethylgallane", - "smiles": "[CH3].[CH3].[CH3].[Ga]", - "inchi": "InChI=1S/3CH3.Ga/h3*1H3;" - }, - "model_record": { - "k_ij": 0.0331777649216049 - } - }, - { - "id1": { - "cas": "294-62-2", - "name": "cyclododecane", - "iupac_name": "cyclododecane", - "smiles": "C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" - }, - "id2": { - "cas": "830-13-7", - "name": "cyclododecanone", - "iupac_name": "cyclododecanone", - "smiles": "O=C1CCCCCCCCCCC1", - "inchi": "InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2" - }, - "model_record": { - "k_ij": 0.0144835505124688 - } - }, - { - "id1": { - "cas": "1078-71-3", - "name": "heptylbenzene", - "iupac_name": "heptylbenzene", - "smiles": "CCCCCCCc1ccccc1", - "inchi": "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1562829062286767 - } - }, - { - "id1": { - "cas": "1078-71-3", - "name": "heptylbenzene", - "iupac_name": "heptylbenzene", - "smiles": "CCCCCCCc1ccccc1", - "inchi": "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0737793522615663 - } - }, - { - "id1": { - "cas": "95-15-8", - "name": "benzo(b)thiophene", - "iupac_name": "1-benzothiophene", - "smiles": "c1ccc2sccc2c1", - "inchi": "InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.2322024904519838 - } - }, - { - "id1": { - "cas": "97-53-0", - "name": "eugenol", - "iupac_name": "2-methoxy-4-prop-2-enylphenol", - "smiles": "C=CCc1ccc(O)c(OC)c1", - "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.1528999726567253 - } - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0021721165064484 - } - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.1054625977351939 - } - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.1278798342598898 - } - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0345624637190509 - } - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": 0.0312011701815915 - } - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "model_record": { - "k_ij": 0.0332969130468119 - } - }, - { - "id1": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": 0.0389559582044794 - } - }, - { - "id1": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "id2": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "model_record": { - "k_ij": 0.2124380826665196 - } - }, - { - "id1": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0407774423964735 - } - }, - { - "id1": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0438421853052943 - } - }, - { - "id1": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0510673024680245 - } - }, - { - "id1": { - "cas": "111-01-3", - "name": "squalane", - "iupac_name": "2,6,10,15,19,23-hexamethyltetracosane", - "smiles": "CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C", - "inchi": "InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.1119176292970628 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "model_record": { - "k_ij": 0.0597617573623017 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0506396734479368 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.105960191609644 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0848654226932699 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": -0.0347536475083231 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0028809236662293 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": -0.0165562363338306 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "model_record": { - "k_ij": 0.0156824279038921 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1355876315852805 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "107-88-0", - "name": "1,3-butanediol", - "iupac_name": "butane-1,3-diol", - "smiles": "CC(O)CCO", - "inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0812466147824634 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "110-59-8", - "name": "pentanenitrile", - "iupac_name": "pentanenitrile", - "smiles": "CCCCC#N", - "inchi": "InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3" - }, - "model_record": { - "k_ij": 0.0467544049808098 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0317733574140274 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0584856831269212 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "90-13-1", - "name": "1-chloronaphthalene", - "iupac_name": "1-chloronaphthalene", - "smiles": "Clc1cccc2ccccc12", - "inchi": "InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" - }, - "model_record": { - "k_ij": 0.1545377900947221 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "111-25-1", - "name": "1-bromohexane", - "iupac_name": "1-bromohexane", - "smiles": "CCCCCCBr", - "inchi": "InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3" - }, - "model_record": { - "k_ij": 0.1190080222602078 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "78-10-4", - "name": "tetraethoxysilane", - "iupac_name": "tetraethyl silicate", - "smiles": "CCO[Si](OCC)(OCC)OCC", - "inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3" - }, - "model_record": { - "k_ij": 0.1178438783963269 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "88-18-6", - "name": "2-tert-butylphenol", - "iupac_name": "2-tert-butylphenol", - "smiles": "CC(C)(C)c1ccccc1O", - "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3" - }, - "model_record": { - "k_ij": 0.1110940888072213 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0730375205240015 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0127311062286434 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "630-02-4", - "name": "octacosane", - "iupac_name": "octacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1691380627164685 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "78-82-0", - "name": "isobutyronitrile", - "iupac_name": "2-methylpropanenitrile", - "smiles": "CC(C)C#N", - "inchi": "InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3" - }, - "model_record": { - "k_ij": 0.0075661993519195 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -1.920611803316827e-05 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "78-40-0", - "name": "triethyl phosphate", - "iupac_name": "triethyl phosphate", - "smiles": "CCOP(=O)(OCC)OCC", - "inchi": "InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0549489935229163 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "109-97-7", - "name": "pyrrole", - "iupac_name": "1h-pyrrole", - "smiles": "c1cc[nH]c1", - "inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" - }, - "model_record": { - "k_ij": 0.2094694241908166 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "smiles": "FC(F)=C(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0384708631568677 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-11-5", - "name": "p-anisaldehyde", - "iupac_name": "4-methoxybenzaldehyde", - "smiles": "COc1ccc(C=O)cc1", - "inchi": "InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0502959529217212 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "model_record": { - "k_ij": 0.0745705520317226 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "122-79-2", - "name": "acetic acid phenyl ester", - "iupac_name": "phenyl acetate", - "smiles": "CC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3" - }, - "model_record": { - "k_ij": 0.0458611450913772 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "111-15-9", - "name": "ethylene glycol monoethyl ether acetate", - "iupac_name": "2-ethoxyethyl acetate", - "smiles": "CCOCCOC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0577987366183672 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0492601487675155 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "682-01-9", - "name": "propyl silicate", - "iupac_name": "tetrapropyl silicate", - "smiles": "CCCO[Si](OCCC)(OCCC)OCCC", - "inchi": "InChI=1S/C12H28O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-12H2,1-4H3" - }, - "model_record": { - "k_ij": 0.1205082837719015 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "593-53-3", - "name": "methyl fluoride [r41]", - "iupac_name": "fluoromethane", - "smiles": "CF", - "inchi": "InChI=1S/CH3F/c1-2/h1H3" - }, - "model_record": { - "k_ij": -0.0575675056016499 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "622-97-9", - "name": "p-methyl-styrene", - "iupac_name": "1-ethenyl-4-methylbenzene", - "smiles": "C=Cc1ccc(C)cc1", - "inchi": "InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0105776308036923 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "1678-92-8", - "name": "n-propyl cyclohexane", - "iupac_name": "propylcyclohexane", - "smiles": "CCCC1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.1728266949349763 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "102-76-1", - "name": "1,2,3-propanetriol-triacetate", - "iupac_name": "2,3-diacetyloxypropyl acetate", - "smiles": "CC(=O)OCC(COC(C)=O)OC(C)=O", - "inchi": "InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0326811445030083 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "628-73-9", - "name": "hexanenitrile", - "iupac_name": "hexanenitrile", - "smiles": "CCCCCC#N", - "inchi": "InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0882548580755765 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0576037547990322 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "96-49-1", - "name": "ethylene carbonate", - "iupac_name": "1,3-dioxolan-2-one", - "smiles": "O=C1OCCO1", - "inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2" - }, - "model_record": { - "k_ij": -0.030902740769943 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "632-22-4", - "name": "1,1,3,3-tetramethyl urea", - "iupac_name": "1,1,3,3-tetramethylurea", - "smiles": "CN(C)C(=O)N(C)C", - "inchi": "InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3" - }, - "model_record": { - "k_ij": 0.063685426817891 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "106-32-1", - "name": "octanoic acid ethyl ester", - "iupac_name": "ethyl octanoate", - "smiles": "CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3" - }, - "model_record": { - "k_ij": 0.096884630612661 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "2244-16-8", - "name": "(s)-(+)-carvone", - "iupac_name": "(5s)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one", - "smiles": "C=C(C)[C@@H]1CC=C(C)C(=O)C1", - "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1" - }, - "model_record": { - "k_ij": 0.0728060359836532 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0780409094089216 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "1678-93-9", - "name": "n-butylcyclohexane", - "iupac_name": "butylcyclohexane", - "smiles": "CCCCC1CCCCC1", - "inchi": "InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3" - }, - "model_record": { - "k_ij": 0.1768477411213071 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "107-00-6", - "name": "1-butyne", - "iupac_name": "but-1-yne", - "smiles": "C#CCC", - "inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3" - }, - "model_record": { - "k_ij": 0.0565291199427374 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "638-49-3", - "name": "amyl formate", - "iupac_name": "pentyl formate", - "smiles": "CCCCCOC=O", - "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0273441583107934 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "112-73-2", - "name": "diethylene glycol dibutyl ether", - "iupac_name": "1-[2-(2-butoxyethoxy)ethoxy]butane", - "smiles": "CCCCOCCOCCOCCCC", - "inchi": "InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1326162815945689 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "112-31-2", - "name": "n-decanal", - "iupac_name": "decanal", - "smiles": "CCCCCCCCCC=O", - "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3" - }, - "model_record": { - "k_ij": 0.0846944592011439 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "model_record": { - "k_ij": 0.0555214648002251 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "681-84-5", - "name": "tetramethoxysilane", - "iupac_name": "tetramethyl silicate", - "smiles": "CO[Si](OC)(OC)OC", - "inchi": "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" - }, - "model_record": { - "k_ij": 0.0846947243722521 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-66-0", - "name": "hexanoic acid ethyl ester", - "iupac_name": "ethyl hexanoate", - "smiles": "CCCCCC(=O)OCC", - "inchi": "InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0772452129421641 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "91-16-7", - "name": "1,2-dimethoxybenzene", - "iupac_name": "1,2-dimethoxybenzene", - "smiles": "COc1ccccc1OC", - "inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.096274499806493 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0459973632947996 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "547-64-8", - "name": "methyl lactate", - "iupac_name": "methyl 2-hydroxypropanoate", - "smiles": "COC(=O)C(C)O", - "inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3" - }, - "model_record": { - "k_ij": 0.0616182356646034 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1049820492223749 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 0.1191389473867634 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "2807-30-9", - "name": "ethylene glycol monopropyl ether", - "iupac_name": "2-propoxyethanol", - "smiles": "CCCOCCO", - "inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0587271179414356 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0049794488106876 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "592-88-1", - "name": "allyl sulfide", - "iupac_name": "3-prop-2-enylsulfanylprop-1-ene", - "smiles": "C=CCSCC=C", - "inchi": "InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2" - }, - "model_record": { - "k_ij": 0.129571355888137 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "106-73-0", - "name": "methyl heptanoate", - "iupac_name": "methyl heptanoate", - "smiles": "CCCCCCC(=O)OC", - "inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0742570101806305 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-76-2", - "name": "levulinic acid", - "iupac_name": "4-oxopentanoic acid", - "smiles": "CC(=O)CCC(=O)O", - "inchi": "InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)" - }, - "model_record": { - "k_ij": 0.1314306361483908 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "model_record": { - "k_ij": 0.0819373192707001 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "102-09-0", - "name": "diphenyl carbonate", - "iupac_name": "diphenyl carbonate", - "smiles": "O=C(Oc1ccccc1)Oc1ccccc1", - "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": 0.0969862027557934 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "112-15-2", - "name": "diethylene glycol monoethyl ether acetate", - "iupac_name": "2-(2-ethoxyethoxy)ethyl acetate", - "smiles": "CCOCCOCCOC(C)=O", - "inchi": "InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0870022239478663 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0899884578284452 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.1145694855522963 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0367400961742738 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "106-33-2", - "name": "dodecanoic acid ethyl ester", - "iupac_name": "ethyl dodecanoate", - "smiles": "CCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1041416804576405 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "7452-79-1", - "name": "2-methylbutanoic acid ethyl ester", - "iupac_name": "ethyl 2-methylbutanoate", - "smiles": "CCOC(=O)C(C)CC", - "inchi": "InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0937614380033619 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "306-94-5", - "name": "perfluorodecalin ", - "iupac_name": "1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene", - "smiles": "FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F", - "inchi": "InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16" - }, - "model_record": { - "k_ij": 0.1675155454428758 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0220795138134659 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "138-22-7", - "name": "n-butyl lactate", - "iupac_name": "butyl 2-hydroxypropanoate", - "smiles": "CCCCOC(=O)C(C)O", - "inchi": "InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0604521202029211 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "609-08-5", - "name": "diethyl methylmalonate", - "iupac_name": "diethyl 2-methylpropanedioate", - "smiles": "CCOC(=O)C(C)C(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3" - }, - "model_record": { - "k_ij": 0.056373141054216 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "model_record": { - "k_ij": 0.0531747106615902 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "621-70-5", - "name": "hexanoic acid 1,2,3-propanetriyl ester", - "iupac_name": "2,3-di(hexanoyloxy)propyl hexanoate", - "smiles": "CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC", - "inchi": "InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0865054549973688 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0970122714487161 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1013738410855047 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-62-6", - "name": "propionic anhydride", - "iupac_name": "propanoyl propanoate", - "smiles": "CCC(=O)OC(=O)CC", - "inchi": "InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0353913812680074 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0441497518738158 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "584-03-2", - "name": "1,2-butanediol", - "iupac_name": "butane-1,2-diol", - "smiles": "CCC(O)CO", - "inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3" - }, - "model_record": { - "k_ij": 0.0393646051244354 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "model_record": { - "k_ij": 0.1408117879334838 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "4766-57-8", - "name": "butyl silicate", - "iupac_name": "tetrabutyl silicate", - "smiles": "CCCCO[Si](OCCCC)(OCCCC)OCCCC", - "inchi": "InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3" - }, - "model_record": { - "k_ij": 0.1173138156835824 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0352197254816677 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "110-38-3", - "name": "decanoic acid ethyl ester", - "iupac_name": "ethyl decanoate", - "smiles": "CCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3" - }, - "model_record": { - "k_ij": 0.1019344006395243 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "434-64-0", - "name": "perfluorotoluene", - "iupac_name": "1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene", - "smiles": "Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F", - "inchi": "InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10" - }, - "model_record": { - "k_ij": 0.0819913518062645 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "120-61-6", - "name": "dimethyl terephthalate", - "iupac_name": "dimethyl benzene-1,4-dicarboxylate", - "smiles": "COC(=O)c1ccc(C(=O)OC)cc1", - "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3" - }, - "model_record": { - "k_ij": 0.0756777462947837 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "1191-95-3", - "name": "cyclobutanone", - "iupac_name": "cyclobutanone", - "smiles": "O=C1CCC1", - "inchi": "InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2" - }, - "model_record": { - "k_ij": 0.0002666912277734 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "100-80-1", - "name": "3-methylstyrene <3-vinyltoluene>", - "iupac_name": "1-ethenyl-3-methylbenzene", - "smiles": "C=Cc1cccc(C)c1", - "inchi": "InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.2544936591207739 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "616-47-7", - "name": "n-methylimidazole", - "iupac_name": "1-methylimidazole", - "smiles": "Cn1ccnc1", - "inchi": "InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.3929372902247778 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0326648467953868 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "123-35-3", - "name": "7-methyl-3-methylene-1,6-octadiene", - "iupac_name": "7-methyl-3-methylideneocta-1,6-diene", - "smiles": "C=CC(=C)CCC=C(C)C", - "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" - }, - "model_record": { - "k_ij": 4.943668405504934 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "2825-82-3", - "name": "exo-tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "(1r,2s,6r,7s)-tricyclo[5.2.1.02,6]decane", - "smiles": "C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1", - "inchi": "InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-" - }, - "model_record": { - "k_ij": 0.2164158538958443 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "163702-05-4", - "name": "nonafluorobutyl ethyl ether", - "iupac_name": "1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane", - "smiles": "CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0913551083505843 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "539-88-8", - "name": "4-oxo-pentanoic acid ethyl ester", - "iupac_name": "ethyl 4-oxopentanoate", - "smiles": "CCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0605418836022266 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": 0.0493181807421568 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "756-13-8", - "name": "dodecafluoro-2-methylpentan-3-one", - "iupac_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one", - "smiles": "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18" - }, - "model_record": { - "k_ij": 0.1098181564318437 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0261538415958085 - } - }, - { - "id1": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "id2": { - "cas": "2052-15-5", - "name": "levulinic acid n-butyl ester", - "iupac_name": "butyl 4-oxopentanoate", - "smiles": "CCCCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0541851948879197 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0116496289604277 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": -0.0048941818368791 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0072479001394537 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0175407598483995 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0417440178360937 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "4390-04-9", - "name": "2,2,4,4,6,8,8-heptamethylnonane", - "iupac_name": "2,2,4,4,6,8,8-heptamethylnonane", - "smiles": "CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C", - "inchi": "InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3" - }, - "model_record": { - "k_ij": 0.0725697880348544 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "593-45-3", - "name": "octadecane", - "iupac_name": "octadecane", - "smiles": "CCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0283625215984295 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "75-18-3", - "name": "dimethyl sulfide", - "iupac_name": "methylsulfanylmethane", - "smiles": "CSC", - "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0251913635895151 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0357725835570987 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "463-58-1", - "name": "carbonyl sulfide", - "iupac_name": "sulfanylidenemethanone", - "smiles": "O=C=S", - "inchi": "InChI=1S/COS/c2-1-3" - }, - "model_record": { - "k_ij": 0.0075746938948481 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "1678-92-8", - "name": "n-propyl cyclohexane", - "iupac_name": "propylcyclohexane", - "smiles": "CCCC1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.053032744285562 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "123-01-3", - "name": "1-phenyldodecane", - "iupac_name": "dodecylbenzene", - "smiles": "CCCCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3" - }, - "model_record": { - "k_ij": 0.0247491436251328 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.0708211631322613 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "model_record": { - "k_ij": 0.0850782466149024 - } - }, - { - "id1": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "id2": { - "cas": "335-27-3", - "name": "perfluoro-1,3-dimethylcyclohexane", - "iupac_name": "1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane", - "smiles": "FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F", - "inchi": "InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14" - }, - "model_record": { - "k_ij": 0.0914641341424434 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "model_record": { - "k_ij": 0.0131549743017903 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 1.2714313310830988e-05 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0215521366995831 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": 0.0439722879428705 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.027670832194574 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "375-96-2", - "name": "perfluorononane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-icosafluorononane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C9F20/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29" - }, - "model_record": { - "k_ij": 0.0955583658582658 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0192027391835993 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.1073851008983797 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "model_record": { - "k_ij": 0.7144647575284655 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "model_record": { - "k_ij": 0.0642153025816316 - } - }, - { - "id1": { - "cas": "74-85-1", - "name": "ethylene", - "iupac_name": "ethene", - "smiles": "C=C", - "inchi": "InChI=1S/C2H4/c1-2/h1-2H2" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "model_record": { - "k_ij": 0.0971433919284674 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "model_record": { - "k_ij": 0.0036123741700123 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "model_record": { - "k_ij": 0.0287592370137526 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "model_record": { - "k_ij": 0.1026857465469487 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.1077910715824783 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0855782123606229 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "630-02-4", - "name": "octacosane", - "iupac_name": "octacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0175348214949949 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "646-31-1", - "name": "tetracosane", - "iupac_name": "tetracosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0052129093998538 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": 0.0780451059556211 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "1678-92-8", - "name": "n-propyl cyclohexane", - "iupac_name": "propylcyclohexane", - "smiles": "CCCC1CCCCC1", - "inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3" - }, - "model_record": { - "k_ij": 0.0352060678564014 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "78-70-6", - "name": "linalool (racemic mixture)", - "iupac_name": "3,7-dimethylocta-1,6-dien-3-ol", - "smiles": "C=CC(C)(O)CCC=C(C)C", - "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" - }, - "model_record": { - "k_ij": 0.0103147554692405 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "6742-54-7", - "name": "1-phenylundecane", - "iupac_name": "undecylbenzene", - "smiles": "CCCCCCCCCCCc1ccccc1", - "inchi": "InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3" - }, - "model_record": { - "k_ij": 5.350149711039922e-05 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.078605541997437 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "model_record": { - "k_ij": 0.089466454157992 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "97-93-8", - "name": "triethylaluminum", - "iupac_name": "triethylalumane", - "smiles": "[Al].[CH2]C.[CH2]C.[CH2]C", - "inchi": "InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3;" - }, - "model_record": { - "k_ij": -7.438144386416773e-05 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "929-77-1", - "name": "docosanoic acid methyl ester", - "iupac_name": "methyl docosanoate", - "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)OC", - "inchi": "InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0086281010501661 - } - }, - { - "id1": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0592058159750014 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0649848779777816 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0544855971369731 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.096805528955366 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0577671851099692 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.003435341464509 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "model_record": { - "k_ij": 0.0193012599260556 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "463-49-0", - "name": "propadiene", - "iupac_name": "propa-1,2-diene", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.00717384635272 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "374-07-2", - "name": "1,1-dichloro tetrafluoro ethane [r114a]", - "iupac_name": "1,1-dichloro-1,2,2,2-tetrafluoroethane", - "smiles": "FC(F)(F)C(F)(Cl)Cl", - "inchi": "InChI=1S/C2Cl2F4/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0348373303542467 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "557-98-2", - "name": "2-chloropropylene", - "iupac_name": "2-chloroprop-1-ene", - "smiles": "C=C(C)Cl", - "inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" - }, - "model_record": { - "k_ij": -0.0005743163704267 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0527566799451958 - } - }, - { - "id1": { - "cas": "115-07-1", - "name": "propylene", - "iupac_name": "prop-1-ene", - "smiles": "C=CC", - "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "model_record": { - "k_ij": 0.0786648796745694 - } - }, - { - "id1": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "id2": { - "cas": "630-02-4", - "name": "octacosane", - "iupac_name": "octacosane", - "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" - }, - "model_record": { - "k_ij": 0.10770579132803 - } - }, - { - "id1": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0170608220827354 - } - }, - { - "id1": { - "cas": "630-08-0", - "name": "carbon monoxide", - "iupac_name": "carbon monoxide", - "smiles": "[C-]#[O+]", - "inchi": "InChI=1S/CO/c1-2" - }, - "id2": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "model_record": { - "k_ij": 0.0678546004922435 - } - }, - { - "id1": { - "cas": "74-86-2", - "name": "ethyne", - "iupac_name": "acetylene", - "smiles": "C#C", - "inchi": "InChI=1S/C2H2/c1-2/h1-2H" - }, - "id2": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "model_record": { - "k_ij": -0.0059712105671108 - } - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "model_record": { - "k_ij": 0.0084477367038402 - } - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": 0.0192452897580878 - } - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0197973131306575 - } - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0156808497501853 - } - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": -6.364065730969627e-06 - } - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0017645083455939 - } - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0142289660103826 - } - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "359-10-4", - "name": "1-chloro-2,2-difluoroethylene (r1122)", - "iupac_name": "2-chloro-1,1-difluoroethene", - "smiles": "FC(F)=CCl", - "inchi": "InChI=1S/C2HClF2/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": -0.0180538742016757 - } - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": -0.0149849778596886 - } - }, - { - "id1": { - "cas": "420-46-2", - "name": "1,1,1-trifluoroethane [r143a]", - "iupac_name": "1,1,1-trifluoroethane", - "smiles": "CC(F)(F)F", - "inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.0310964683500737 - } - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "model_record": { - "k_ij": -0.0120151332898756 - } - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-69-4", - "name": "trichlorofluoromethane [r11]", - "iupac_name": "trichloro(fluoro)methane", - "smiles": "FC(Cl)(Cl)Cl", - "inchi": "InChI=1S/CCl3F/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0787075374865196 - } - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "model_record": { - "k_ij": 0.0449269137700448 - } - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0028435709116935 - } - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": 0.0564540187523025 - } - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0433512843619402 - } - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0019008512277039 - } - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0151105103175324 - } - }, - { - "id1": { - "cas": "75-46-7", - "name": "fluoroform [r23]", - "iupac_name": "fluoroform", - "smiles": "FC(F)F", - "inchi": "InChI=1S/CHF3/c2-1(3)4/h1H" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.0021066384803027 - } - }, - { - "id1": { - "cas": "120-51-4", - "name": "benzyl benzoate", - "iupac_name": "benzyl benzoate", - "smiles": "O=C(OCc1ccccc1)c1ccccc1", - "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" - }, - "id2": { - "cas": "544-01-4", - "name": "diisopentyl ether", - "iupac_name": "3-methyl-1-(3-methylbutoxy)butane", - "smiles": "CC(C)CCOCCC(C)C", - "inchi": "InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3" - }, - "model_record": { - "k_ij": 0.0035057330057137 - } - }, - { - "id1": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "id2": { - "cas": "616-45-5", - "name": "2-pyrrolidone", - "iupac_name": "pyrrolidin-2-one", - "smiles": "OC1=NCCC1", - "inchi": "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" - }, - "model_record": { - "k_ij": -0.1393940463863906 - } - }, - { - "id1": { - "cas": "75-89-8", - "name": "2,2,2-trifluoroethanol", - "iupac_name": "2,2,2-trifluoroethanol", - "smiles": "OCC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2" - }, - "id2": { - "cas": "80-73-9", - "name": "1,3-dimethylimidazolidin-2-one", - "iupac_name": "1,3-dimethylimidazolidin-2-one", - "smiles": "CN1CCN(C)C1=O", - "inchi": "InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.1339927479116956 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.009330043163369 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "model_record": { - "k_ij": -0.005392024204434 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "model_record": { - "k_ij": 0.0704431538370477 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "116-14-3", - "name": "tetrafluoroethylene", - "iupac_name": "1,1,2,2-tetrafluoroethene", - "smiles": "FC(F)=C(F)F", - "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6" - }, - "model_record": { - "k_ij": 0.0130386943916303 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0128045536537288 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0364184559469132 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "359-11-5", - "name": "trifluoroethene (r1123)", - "iupac_name": "1,1,2-trifluoroethene", - "smiles": "FC=C(F)F", - "inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H" - }, - "model_record": { - "k_ij": 0.007349327878408 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0011014864163161 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0633770424761682 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0211567822396329 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": -0.0015146094733512 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": -0.0029210941968464 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "FC(F)C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "model_record": { - "k_ij": -0.0240963471693022 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.0074775101497458 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0234625154071257 - } - }, - { - "id1": { - "cas": "75-10-5", - "name": "difluoromethane [r32]", - "iupac_name": "difluoromethane", - "smiles": "FCF", - "inchi": "InChI=1S/CH2F2/c2-1-3/h1H2" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0297580732925807 - } - }, - { - "id1": { - "cas": "74-97-5", - "name": "bromochloromethane [r30b1]", - "iupac_name": "bromo(chloro)methane", - "smiles": "ClCBr", - "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2" - }, - "id2": { - "cas": "75-62-7", - "name": "bromotrichloromethane [r10b1]", - "iupac_name": "bromo(trichloro)methane", - "smiles": "ClC(Cl)(Cl)Br", - "inchi": "InChI=1S/CBrCl3/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0062346193810394 - } - }, - { - "id1": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "id2": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.031257957281759 - } - }, - { - "id1": { - "cas": "584-84-9", - "name": "2,4-toluene diisocyanate", - "iupac_name": "2,4-diisocyanato-1-methylbenzene", - "smiles": "Cc1ccc(N=C=O)cc1N=C=O", - "inchi": "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" - }, - "id2": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0137272926766695 - } - }, - { - "id1": { - "cas": "122-51-0", - "name": "triethyl orthoformate ", - "iupac_name": "diethoxymethoxyethane", - "smiles": "CCOC(OCC)OCC", - "inchi": "InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3" - }, - "id2": { - "cas": "105-53-3", - "name": "diethyl malonate", - "iupac_name": "diethyl propanedioate", - "smiles": "CCOC(=O)CC(=O)OCC", - "inchi": "InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0055334892509218 - } - }, - { - "id1": { - "cas": "123-25-1", - "name": "diethyl succinate", - "iupac_name": "diethyl butanedioate", - "smiles": "CCOC(=O)CCC(=O)OCC", - "inchi": "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "model_record": { - "k_ij": 0.0062271824324251 - } - }, - { - "id1": { - "cas": "1119-40-0", - "name": "dimethyl glutarate", - "iupac_name": "dimethyl pentanedioate", - "smiles": "COC(=O)CCCC(=O)OC", - "inchi": "InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0037381909079098 - } - }, - { - "id1": { - "cas": "1119-40-0", - "name": "dimethyl glutarate", - "iupac_name": "dimethyl pentanedioate", - "smiles": "COC(=O)CCCC(=O)OC", - "inchi": "InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3" - }, - "id2": { - "cas": "106-65-0", - "name": "dimethyl succinate", - "iupac_name": "dimethyl butanedioate", - "smiles": "COC(=O)CCC(=O)OC", - "inchi": "InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0052157523461857 - } - }, - { - "id1": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "593-53-3", - "name": "methyl fluoride [r41]", - "iupac_name": "fluoromethane", - "smiles": "CF", - "inchi": "InChI=1S/CH3F/c1-2/h1H3" - }, - "model_record": { - "k_ij": 0.0597456205028934 - } - }, - { - "id1": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.038641342711644 - } - }, - { - "id1": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "model_record": { - "k_ij": 0.0186170508491208 - } - }, - { - "id1": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "id2": { - "cas": "307-34-6", - "name": "perfluoro-n-octane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" - }, - "model_record": { - "k_ij": 0.025710394241636 - } - }, - { - "id1": { - "cas": "4394-85-8", - "name": "n-formylmorpholine", - "iupac_name": "morpholine-4-carbaldehyde", - "smiles": "O=CN1CCOCC1", - "inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2" - }, - "id2": { - "cas": "616-44-4", - "name": "3-methyl thiophene", - "iupac_name": "3-methylthiophene", - "smiles": "Cc1ccsc1", - "inchi": "InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3" - }, - "model_record": { - "k_ij": 0.014656695489029 - } - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "model_record": { - "k_ij": -0.0037681732028067 - } - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "75-19-4", - "name": "cyclopropane", - "iupac_name": "cyclopropane", - "smiles": "C1CC1", - "inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2" - }, - "model_record": { - "k_ij": 0.0642602538369103 - } - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0015050548190082 - } - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0019268406047367 - } - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "421-14-7", - "name": "trifluoromethoxymethane", - "iupac_name": "trifluoro(methoxy)methane", - "smiles": "COC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0104408758555393 - } - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.002882774639487 - } - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": 0.0060020804158302 - } - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "431-63-0", - "name": "1,1,1,2,3,3-hexafluoropropane [r236ea]", - "iupac_name": "1,1,1,2,3,3-hexafluoropropane", - "smiles": "FC(F)C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H" - }, - "model_record": { - "k_ij": 0.0071725554492566 - } - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.0041032558504719 - } - }, - { - "id1": { - "cas": "354-33-6", - "name": "pentafluoroethane [r125]", - "iupac_name": "1,1,1,2,2-pentafluoroethane", - "smiles": "FC(F)C(F)(F)F", - "inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0044819616965835 - } - }, - { - "id1": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "106-65-0", - "name": "dimethyl succinate", - "iupac_name": "dimethyl butanedioate", - "smiles": "COC(=O)CCC(=O)OC", - "inchi": "InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0049311899639259 - } - }, - { - "id1": { - "cas": "627-93-0", - "name": "dimethyl adipate", - "iupac_name": "dimethyl hexanedioate", - "smiles": "COC(=O)CCCCC(=O)OC", - "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3" - }, - "id2": { - "cas": "822-06-0", - "name": "hexamethylene diisocyanate", - "iupac_name": "1,6-diisocyanatohexane", - "smiles": "O=C=NCCCCCCN=C=O", - "inchi": "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" - }, - "model_record": { - "k_ij": 0.0102624023523814 - } - }, - { - "id1": { - "cas": "110-58-7", - "name": "1-aminopentane", - "iupac_name": "pentan-1-amine", - "smiles": "CCCCCN", - "inchi": "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" - }, - "id2": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0508224833261626 - } - }, - { - "id1": { - "cas": "624-92-0", - "name": "dimethyl disulfide", - "iupac_name": "(methyldisulfanyl)methane", - "smiles": "CSSC", - "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" - }, - "id2": { - "cas": "637-92-3", - "name": "ethyl tert-butyl ether (etbe)", - "iupac_name": "2-ethoxy-2-methylpropane", - "smiles": "CCOC(C)(C)C", - "inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" - }, - "model_record": { - "k_ij": -0.003017833234589 - } - }, - { - "id1": { - "cas": "100-00-5", - "name": "4-chloronitrobenzene", - "iupac_name": "1-chloro-4-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccc(Cl)cc1", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" - }, - "id2": { - "cas": "88-73-3", - "name": "2-chloronitrobenzene", - "iupac_name": "1-chloro-2-nitrobenzene", - "smiles": "O=[N+]([O-])c1ccccc1Cl", - "inchi": "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" - }, - "model_record": { - "k_ij": -0.0100918930624779 - } - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "108-29-2", - "name": "tetrahydro-5-methyl-2-furanone", - "iupac_name": "5-methyloxolan-2-one", - "smiles": "CC1CCC(=O)O1", - "inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3" - }, - "model_record": { - "k_ij": -0.0387208577102325 - } - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "141-03-7", - "name": "dibutyl succinate", - "iupac_name": "dibutyl butanedioate", - "smiles": "CCCCOC(=O)CCC(=O)OCCCC", - "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": -0.034915064307149 - } - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "540-67-0", - "name": "methyl ethyl ether", - "iupac_name": "methoxyethane", - "smiles": "CCOC", - "inchi": "InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0532904039751881 - } - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "7226-23-5", - "name": "n,n'-dimethylpropylene urea ", - "iupac_name": "1,3-dimethyl-1,3-diazinan-2-one", - "smiles": "CN1CCCN(C)C1=O", - "inchi": "InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.1430928264234633 - } - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": -0.1195713421573427 - } - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "628-80-8", - "name": "methyl pentyl ether", - "iupac_name": "1-methoxypentane", - "smiles": "CCCCCOC", - "inchi": "InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0239433900923472 - } - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.024211967254985 - } - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "539-88-8", - "name": "4-oxo-pentanoic acid ethyl ester", - "iupac_name": "ethyl 4-oxopentanoate", - "smiles": "CCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": -0.061100681729731 - } - }, - { - "id1": { - "cas": "7446-09-5", - "name": "sulfur dioxide", - "iupac_name": "sulfur dioxide", - "smiles": "O=S=O", - "inchi": "InChI=1S/O2S/c1-3-2" - }, - "id2": { - "cas": "2052-15-5", - "name": "levulinic acid n-butyl ester", - "iupac_name": "butyl 4-oxopentanoate", - "smiles": "CCCCOC(=O)CCC(C)=O", - "inchi": "InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0581848040024147 - } - }, - { - "id1": { - "cas": "96-43-5", - "name": "2-chlorothiophene", - "iupac_name": "2-chlorothiophene", - "smiles": "Clc1cccs1", - "inchi": "InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H" - }, - "id2": { - "cas": "3172-52-9", - "name": "2,5-dichlorothiophene", - "iupac_name": "2,5-dichlorothiophene", - "smiles": "Clc1ccc(Cl)s1", - "inchi": "InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H" - }, - "model_record": { - "k_ij": 0.001390200724826 - } - }, - { - "id1": { - "cas": "502-49-8", - "name": "cyclooctanone", - "iupac_name": "cyclooctanone", - "smiles": "O=C1CCCCCCC1", - "inchi": "InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2" - }, - "id2": { - "cas": "696-71-9", - "name": "cyclooctanol", - "iupac_name": "cyclooctanol", - "smiles": "OC1CCCCCCC1", - "inchi": "InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2" - }, - "model_record": { - "k_ij": 0.0974325566598509 - } - }, - { - "id1": { - "cas": "698-87-3", - "name": "1-phenyl-2-propanol", - "iupac_name": "1-phenylpropan-2-ol", - "smiles": "CC(O)Cc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3" - }, - "id2": { - "cas": "90-00-6", - "name": "2-ethylphenol", - "iupac_name": "2-ethylphenol", - "smiles": "CCc1ccccc1O", - "inchi": "InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3" - }, - "model_record": { - "k_ij": -0.0080579710327153 - } - }, - { - "id1": { - "cas": "698-87-3", - "name": "1-phenyl-2-propanol", - "iupac_name": "1-phenylpropan-2-ol", - "smiles": "CC(O)Cc1ccccc1", - "inchi": "InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "model_record": { - "k_ij": -0.0073094798336431 - } - }, - { - "id1": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0438695430050682 - } - }, - { - "id1": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": 0.0330563864701822 - } - }, - { - "id1": { - "cas": "105-46-4", - "name": "sec-butyl acetate", - "iupac_name": "butan-2-yl acetate", - "smiles": "CCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0088053008063378 - } - }, - { - "id1": { - "cas": "122-79-2", - "name": "acetic acid phenyl ester", - "iupac_name": "phenyl acetate", - "smiles": "CC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0037417222284769 - } - }, - { - "id1": { - "cas": "122-79-2", - "name": "acetic acid phenyl ester", - "iupac_name": "phenyl acetate", - "smiles": "CC(=O)Oc1ccccc1", - "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3" - }, - "id2": { - "cas": "102-09-0", - "name": "diphenyl carbonate", - "iupac_name": "diphenyl carbonate", - "smiles": "O=C(Oc1ccccc1)Oc1ccccc1", - "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": -0.0002183061478013 - } - }, - { - "id1": { - "cas": "109-83-1", - "name": "n-methylethanolamine", - "iupac_name": "2-(methylamino)ethanol", - "smiles": "CNCCO", - "inchi": "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3" - }, - "id2": { - "cas": "105-59-9", - "name": "methyldiethanolamine (mdea)", - "iupac_name": "2-[2-hydroxyethyl(methyl)amino]ethanol", - "smiles": "CN(CCO)CCO", - "inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3" - }, - "model_record": { - "k_ij": 0.0528539087223812 - } - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": -0.0253066054882627 - } - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0657029554031112 - } - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": -0.0059948251499649 - } - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0359910305156202 - } - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": -0.0444970770032253 - } - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.0231486384545678 - } - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0336823160597854 - } - }, - { - "id1": { - "cas": "353-36-6", - "name": "fluoroethane [r161]", - "iupac_name": "fluoroethane", - "smiles": "CCF", - "inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0313799191958002 - } - }, - { - "id1": { - "cas": "628-90-0", - "name": "dimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxy)methane", - "smiles": "COCOCOC", - "inchi": "InChI=1S/C4H10O3/c1-5-3-7-4-6-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "13353-03-2", - "name": "trimethylene glycol dimethyl ether", - "iupac_name": "methoxy(methoxymethoxymethoxy)methane", - "smiles": "COCOCOCOC", - "inchi": "InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0045026988842885 - } - }, - { - "id1": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "model_record": { - "k_ij": 0.0247215529217719 - } - }, - { - "id1": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.0191034445329222 - } - }, - { - "id1": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.007671802538023 - } - }, - { - "id1": { - "cas": "75-68-3", - "name": "1-chloro-1,1-difluoroethane [r142b]", - "iupac_name": "1-chloro-1,1-difluoroethane", - "smiles": "CC(F)(F)Cl", - "inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0091579362354197 - } - }, - { - "id1": { - "cas": "359-11-5", - "name": "trifluoroethene (r1123)", - "iupac_name": "1,1,2-trifluoroethene", - "smiles": "FC=C(F)F", - "inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": 0.0128355176809105 - } - }, - { - "id1": { - "cas": "575-43-9", - "name": "1,6-dimethyl naphthalene", - "iupac_name": "1,6-dimethylnaphthalene", - "smiles": "Cc1ccc2c(C)cccc2c1", - "inchi": "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3" - }, - "id2": { - "cas": "120-72-9", - "name": "indole", - "iupac_name": "1h-indole", - "smiles": "c1ccc2[nH]ccc2c1", - "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" - }, - "model_record": { - "k_ij": 0.0147135960544975 - } - }, - { - "id1": { - "cas": "90-00-6", - "name": "2-ethylphenol", - "iupac_name": "2-ethylphenol", - "smiles": "CCc1ccccc1O", - "inchi": "InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3" - }, - "id2": { - "cas": "60-12-8", - "name": "2-phenylethanol", - "iupac_name": "2-phenylethanol", - "smiles": "OCCc1ccccc1", - "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" - }, - "model_record": { - "k_ij": -0.0171675663941802 - } - }, - { - "id1": { - "cas": "1814-88-6", - "name": "1,1,1,2,2-pentafluoropropane", - "iupac_name": "1,1,1,2,2-pentafluoropropane", - "smiles": "CC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": {} - }, - { - "id1": { - "cas": "75-19-4", - "name": "cyclopropane", - "iupac_name": "cyclopropane", - "smiles": "C1CC1", - "inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2" - }, - "id2": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "model_record": { - "k_ij": 0.063866301242894 - } - }, - { - "id1": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "102-09-0", - "name": "diphenyl carbonate", - "iupac_name": "diphenyl carbonate", - "smiles": "O=C(Oc1ccccc1)Oc1ccccc1", - "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H" - }, - "model_record": { - "k_ij": -0.0038871245096192 - } - }, - { - "id1": { - "cas": "105-58-8", - "name": "carbonic acid diethyl ester", - "iupac_name": "diethyl carbonate", - "smiles": "CCOC(=O)OCC", - "inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3" - }, - "id2": { - "cas": "6004-38-2", - "name": "tricyclo[5.2.1.0(2,6)]decane", - "iupac_name": "tricyclo[5.2.1.02,6]decane", - "smiles": "C1CC2C3CCC(C3)C2C1", - "inchi": "InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2" - }, - "model_record": { - "k_ij": 0.0623934235919003 - } - }, - { - "id1": { - "cas": "109-76-2", - "name": "1,3-diaminopropane", - "iupac_name": "propane-1,3-diamine", - "smiles": "NCCCN", - "inchi": "InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2" - }, - "id2": { - "cas": "56-18-8", - "name": "bis(3-aminopropyl)amine", - "iupac_name": "n'-(3-aminopropyl)propane-1,3-diamine", - "smiles": "NCCCNCCCN", - "inchi": "InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2" - }, - "model_record": { - "k_ij": -0.4942202286502163 - } - }, - { - "id1": { - "cas": "74-99-7", - "name": "propyne", - "iupac_name": "prop-1-yne", - "smiles": "C#CC", - "inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3" - }, - "id2": { - "cas": "463-49-0", - "name": "propadiene", - "iupac_name": "propa-1,2-diene", - "smiles": "C=C=C", - "inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2" - }, - "model_record": { - "k_ij": 0.0085306189438073 - } - }, - { - "id1": { - "cas": "106-88-7", - "name": "1,2-epoxybutane", - "iupac_name": "2-ethyloxirane", - "smiles": "CCC1CO1", - "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" - }, - "id2": { - "cas": "558-30-5", - "name": "2,2-dimethyloxirane", - "iupac_name": "2,2-dimethyloxirane", - "smiles": "CC1(C)CO1", - "inchi": "InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3" - }, - "model_record": { - "k_ij": -0.0033699713920913 - } - }, - { - "id1": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.065762494861682 - } - }, - { - "id1": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 0.0147927691489053 - } - }, - { - "id1": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0014427625657242 - } - }, - { - "id1": { - "cas": "359-35-3", - "name": "1,1,2,2-tetrafluoroethane [r134]", - "iupac_name": "1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)C(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H" - }, - "id2": { - "cas": "29118-25-0", - "name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(z)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C\\C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1-" - }, - "model_record": { - "k_ij": 0.0586160192634196 - } - }, - { - "id1": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "1589-47-5", - "name": "2-methoxy-1-propanol", - "iupac_name": "2-methoxypropan-1-ol", - "smiles": "COC(C)CO", - "inchi": "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0269408253728267 - } - }, - { - "id1": { - "cas": "107-98-2", - "name": "1-methoxy-2-propanol", - "iupac_name": "1-methoxypropan-2-ol", - "smiles": "COCC(C)O", - "inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" - }, - "id2": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0250107298088225 - } - }, - { - "id1": { - "cas": "143-24-8", - "name": "tetraethylene glycol dimethyl ether", - "iupac_name": "1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane", - "smiles": "COCCOCCOCCOCCOC", - "inchi": "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" - }, - "id2": { - "cas": "354-23-4", - "name": "1,2-dichloro-1,2,2-trifluoroethane [r123a]", - "iupac_name": "1,2-dichloro-1,1,2-trifluoroethane", - "smiles": "FC(Cl)C(F)(F)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H" - }, - "model_record": { - "k_ij": -0.0405590022245165 - } - }, - { - "id1": { - "cas": "97-64-3", - "name": "ethyl lactate", - "iupac_name": "ethyl 2-hydroxypropanoate", - "smiles": "CCOC(=O)C(C)O", - "inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3" - }, - "id2": { - "cas": "108-65-6", - "name": "1-methoxyisopropylacetate", - "iupac_name": "1-methoxypropan-2-yl acetate", - "smiles": "COCC(C)OC(C)=O", - "inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" - }, - "model_record": { - "k_ij": 0.0073495779412394 - } - }, - { - "id1": { - "cas": "470-82-6", - "name": "1,8-cineole", - "iupac_name": "1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane", - "smiles": "CC12CCC(CC1)C(C)(C)O2", - "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" - }, - "id2": { - "cas": "18172-67-3", - "name": "(-)-beta-pinene", - "iupac_name": "(1s,5s)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane", - "smiles": "C=C1CC[C@H]2C[C@@H]1C2(C)C", - "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1" - }, - "model_record": { - "k_ij": -0.0028502898922683 - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": 0.0477821054208253 - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "model_record": { - "k_ij": 0.0265479493441044 - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0110480527891647 - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "model_record": {} - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "421-14-7", - "name": "trifluoromethoxymethane", - "iupac_name": "trifluoro(methoxy)methane", - "smiles": "COC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0130288088962218 - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "model_record": { - "k_ij": 3.331626236052062e-05 - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "690-39-1", - "name": "1,1,1,3,3,3-hexafluoropropane [r236fa]", - "iupac_name": "1,1,1,3,3,3-hexafluoropropane", - "smiles": "FC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2" - }, - "model_record": { - "k_ij": 0.0033008618991248 - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "460-73-1", - "name": "1,1,1,3,3-pentafluoropropane [r245fa]", - "iupac_name": "1,1,1,3,3-pentafluoropropane", - "smiles": "FC(F)CC(F)(F)F", - "inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": -0.0034475866090573 - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.0054471498067784 - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0078822420630517 - } - }, - { - "id1": { - "cas": "811-97-2", - "name": "1,1,1,2-tetrafluoroethane [r134a]", - "iupac_name": "1,1,1,2-tetrafluoroethane", - "smiles": "FCC(F)(F)F", - "inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0040429574617639 - } - }, - { - "id1": { - "cas": "1717-00-6", - "name": "1,1-dichloro-1-fluoroethane [r141b]", - "iupac_name": "1,1-dichloro-1-fluoroethane", - "smiles": "CC(F)(Cl)Cl", - "inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" - }, - "id2": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0235846176278459 - } - }, - { - "id1": { - "cas": "100-37-8", - "name": "n,n-diethylethanolamine (demea)", - "iupac_name": "2-(diethylamino)ethanol", - "smiles": "CCN(CC)CCO", - "inchi": "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" - }, - "id2": { - "cas": "6291-84-5", - "name": "n-methylpropane-1,3-diamine", - "iupac_name": "n'-methylpropane-1,3-diamine", - "smiles": "CNCCCN", - "inchi": "InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3" - }, - "model_record": { - "k_ij": -0.0185264833147544 - } - }, - { - "id1": { - "cas": "286-20-4", - "name": "1,2-epoxycyclohexane", - "iupac_name": "7-oxabicyclo[4.1.0]heptane", - "smiles": "C1CCC2OC2C1", - "inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2" - }, - "id2": { - "cas": "930-68-7", - "name": "2-cyclohexen-1-one", - "iupac_name": "cyclohex-2-en-1-one", - "smiles": "O=C1C=CCCC1", - "inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2" - }, - "model_record": { - "k_ij": -0.0411889223242989 - } - }, - { - "id1": { - "cas": "111-40-0", - "name": "diethylenetriamine", - "iupac_name": "n'-(2-aminoethyl)ethane-1,2-diamine", - "smiles": "NCCNCCN", - "inchi": "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" - }, - "id2": { - "cas": "140-31-8", - "name": "n-(2-aminoethyl)piperazine", - "iupac_name": "2-piperazin-1-ylethanamine", - "smiles": "NCCN1CCNCC1", - "inchi": "InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2" - }, - "model_record": { - "k_ij": 0.0275530948621562 - } - }, - { - "id1": { - "cas": "2314-97-8", - "name": "iodotrifluoromethane", - "iupac_name": "trifluoro(iodo)methane", - "smiles": "FC(F)(F)I", - "inchi": "InChI=1S/CF3I/c2-1(3,4)5" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0354919130038074 - } - }, - { - "id1": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "id2": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "model_record": { - "k_ij": 0.0553167511387327 - } - }, - { - "id1": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "428-59-1", - "name": "1,2-epoxy-perfluoropropylene", - "iupac_name": "2,2,3-trifluoro-3-(trifluoromethyl)oxirane", - "smiles": "FC(F)(F)C1(F)OC1(F)F", - "inchi": "InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1" - }, - "model_record": { - "k_ij": 0.0507608397979639 - } - }, - { - "id1": { - "cas": "306-83-2", - "name": "1,1-dichloro-2,2,2-trifluoroethane [r123]", - "iupac_name": "2,2-dichloro-1,1,1-trifluoroethane", - "smiles": "FC(F)(F)C(Cl)Cl", - "inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" - }, - "id2": { - "cas": "1885-48-9", - "name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "iupac_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane", - "smiles": "FC(F)OCC(F)(F)F", - "inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2" - }, - "model_record": { - "k_ij": 0.0181153389304559 - } - }, - { - "id1": { - "cas": "124-73-2", - "name": "1,2-dibromotetrafluoroethane", - "iupac_name": "1,2-dibromo-1,1,2,2-tetrafluoroethane", - "smiles": "FC(F)(Br)C(F)(F)Br", - "inchi": "InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8" - }, - "id2": { - "cas": "75-61-6", - "name": "dibromodifluoromethane [r12b2]", - "iupac_name": "dibromo(difluoro)methane", - "smiles": "FC(F)(Br)Br", - "inchi": "InChI=1S/CBr2F2/c2-1(3,4)5" - }, - "model_record": { - "k_ij": 0.0032359558007596 - } - }, - { - "id1": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.0322550047082261 - } - }, - { - "id1": { - "cas": "677-21-4", - "name": "3,3,3-trifluoropropylene (r1243zf)", - "iupac_name": "3,3,3-trifluoroprop-1-ene", - "smiles": "C=CC(F)(F)F", - "inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": -0.0221446287141582 - } - }, - { - "id1": { - "cas": "124-06-1", - "name": "tetradecanoic acid ethyl ester", - "iupac_name": "ethyl tetradecanoate", - "smiles": "CCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3" - }, - "id2": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "model_record": { - "k_ij": 0.0014858282456298 - } - }, - { - "id1": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "id2": { - "cas": "111-62-6", - "name": "(z)-9-octadecenoic acid ethyl ester", - "iupac_name": "ethyl (z)-octadec-9-enoate", - "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-" - }, - "model_record": { - "k_ij": 0.0093618128085167 - } - }, - { - "id1": { - "cas": "628-97-7", - "name": "hexadecanoic acid ethyl ester", - "iupac_name": "ethyl hexadecanoate", - "smiles": "CCCCCCCCCCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3" - }, - "id2": { - "cas": "544-35-4", - "name": "(z,z)-9,12-octadecadienoic acid ethyl ester", - "iupac_name": "ethyl (9z,12z)-octadeca-9,12-dienoate", - "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OCC", - "inchi": "InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-" - }, - "model_record": { - "k_ij": 0.0024754161603706 - } - }, - { - "id1": { - "cas": "229-87-8", - "name": "phenanthridine", - "iupac_name": "phenanthridine", - "smiles": "c1ccc2c(c1)cnc1ccccc12", - "inchi": "InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H" - }, - "id2": { - "cas": "262-20-4", - "name": "phenoxathiin", - "iupac_name": "phenoxathiine", - "smiles": "c1ccc2c(c1)Oc1ccccc1S2", - "inchi": "InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H" - }, - "model_record": { - "k_ij": -0.0259537467155805 - } - }, - { - "id1": { - "cas": "3822-68-2", - "name": "difluoromethoxytrifluoromethane", - "iupac_name": "difluoromethoxy(trifluoro)methane", - "smiles": "FC(F)OC(F)(F)F", - "inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H" - }, - "id2": { - "cas": "421-14-7", - "name": "trifluoromethoxymethane", - "iupac_name": "trifluoro(methoxy)methane", - "smiles": "COC(F)(F)F", - "inchi": "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3" - }, - "model_record": { - "k_ij": -0.0188522741663866 - } - }, - { - "id1": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "id2": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": -0.0011928091612151 - } - }, - { - "id1": { - "cas": "431-89-0", - "name": "1,1,1,2,3,3,3-heptafluoropropane [r227ea]", - "iupac_name": "1,1,1,2,3,3,3-heptafluoropropane", - "smiles": "FC(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0015300948623606 - } - }, - { - "id1": { - "cas": "10061-01-5", - "name": "cis-1,3-dichloro-1-propene", - "iupac_name": "(z)-1,3-dichloroprop-1-ene", - "smiles": "Cl/C=C\\CCl", - "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-" - }, - "id2": { - "cas": "10061-02-6", - "name": "trans-1,3-dichloro-1-propene", - "iupac_name": "(e)-1,3-dichloroprop-1-ene", - "smiles": "Cl/C=C/CCl", - "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+" - }, - "model_record": { - "k_ij": -0.0003345856872417 - } - }, - { - "id1": { - "cas": "1445-79-0", - "name": "trimethylgallium", - "iupac_name": "trimethylgallane", - "smiles": "[CH3].[CH3].[CH3].[Ga]", - "inchi": "InChI=1S/3CH3.Ga/h3*1H3;" - }, - "id2": { - "cas": "1115-99-7", - "name": "triethylgallium", - "iupac_name": "triethylgallane", - "smiles": "[CH2]C.[CH2]C.[CH2]C.[Ga]", - "inchi": "InChI=1S/3C2H5.Ga/c3*1-2;/h3*1H2,2H3;" - }, - "model_record": { - "k_ij": -0.0555379772992861 - } - }, - { - "id1": { - "cas": "1445-79-0", - "name": "trimethylgallium", - "iupac_name": "trimethylgallane", - "smiles": "[CH3].[CH3].[CH3].[Ga]", - "inchi": "InChI=1S/3CH3.Ga/h3*1H3;" - }, - "id2": { - "cas": "1184-58-3", - "name": "dimethylaluminum chloride", - "iupac_name": "chloro(dimethyl)alumane", - "smiles": "[Al+].[CH3].[CH3].[Cl-]", - "inchi": "InChI=1S/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1" - }, - "model_record": { - "k_ij": -0.003402383126584 - } - }, - { - "id1": { - "cas": "375-03-1", - "name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane [hfe347mcc]", - "iupac_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane", - "smiles": "COC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3" - }, - "id2": { - "cas": "756-13-8", - "name": "dodecafluoro-2-methylpentan-3-one", - "iupac_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one", - "smiles": "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18" - }, - "model_record": { - "k_ij": 0.0186120943493763 - } - }, - { - "id1": { - "cas": "406-58-6", - "name": "1,1,1,3,3-pentafluorobutane", - "iupac_name": "1,1,1,3,3-pentafluorobutane", - "smiles": "CC(F)(F)CC(F)(F)F", - "inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3" - }, - "id2": { - "cas": "756-13-8", - "name": "dodecafluoro-2-methylpentan-3-one", - "iupac_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one", - "smiles": "O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F", - "inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18" - }, - "model_record": { - "k_ij": 0.0087398817844883 - } - }, - { - "id1": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "id2": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0065378124552367 - } - }, - { - "id1": { - "cas": "754-12-1", - "name": "2,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "2,3,3,3-tetrafluoroprop-1-ene", - "smiles": "C=C(F)C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2" - }, - "id2": { - "cas": "2730-62-3", - "name": "2-chloro-3,3,3-trifluoropropene", - "iupac_name": "2-chloro-3,3,3-trifluoroprop-1-ene", - "smiles": "C=C(Cl)C(F)(F)F", - "inchi": "InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2" - }, - "model_record": { - "k_ij": 0.0125714845198128 - } - }, - { - "id1": { - "cas": "29118-24-9", - "name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "iupac_name": "(e)-1,3,3,3-tetrafluoroprop-1-ene", - "smiles": "F/C=C/C(F)(F)F", - "inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+" - }, - "id2": { - "cas": "66711-86-2", - "name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "iupac_name": "(e)-1,1,1,4,4,4-hexafluorobut-2-ene", - "smiles": "FC(F)(F)/C=C/C(F)(F)F", - "inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+" - }, - "model_record": { - "k_ij": 0.0080135025939028 - } - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/rehner2023_hetero.json b/parameters_old/pcsaft/rehner2023_hetero.json deleted file mode 100644 index 937b0a476..000000000 --- a/parameters_old/pcsaft/rehner2023_hetero.json +++ /dev/null @@ -1,232 +0,0 @@ -[ - { - "identifier": "CH3", - "model_record": { - "m": 0.77247, - "sigma": 3.6937, - "epsilon_k": 181.49 - }, - "molarweight": 15.0345 - }, - { - "identifier": "CH2", - "model_record": { - "m": 0.7912, - "sigma": 3.0207, - "epsilon_k": 157.23 - }, - "molarweight": 14.02658 - }, - { - "identifier": ">CH", - "model_record": { - "m": 0.52235, - "sigma": 0.99912, - "epsilon_k": 269.84 - }, - "molarweight": 13.01854 - }, - { - "identifier": ">C<", - "model_record": { - "m": -0.70131, - "sigma": 0.5435, - "epsilon_k": 0.0 - }, - "molarweight": 12.0107 - }, - { - "identifier": "=CH2", - "model_record": { - "m": 0.70581, - "sigma": 3.163, - "epsilon_k": 171.34 - }, - "molarweight": 14.02658 - }, - { - "identifier": "=CH", - "model_record": { - "m": 0.90182, - "sigma": 2.8864, - "epsilon_k": 158.9 - }, - "molarweight": 13.01854 - }, - { - "identifier": "=C<", - "model_record": { - "m": 0.98505, - "sigma": 2.245, - "epsilon_k": 146.86 - }, - "molarweight": 12.0107 - }, - { - "identifier": "C\u2261CH", - "model_record": { - "m": 1.1615, - "sigma": 3.3187, - "epsilon_k": 255.13 - }, - "molarweight": 25.02924 - }, - { - "identifier": "CH2_hex", - "model_record": { - "m": 0.8793, - "sigma": 2.9995, - "epsilon_k": 157.93 - }, - "molarweight": 14.02658 - }, - { - "identifier": "CH_hex", - "model_record": { - "m": 0.42115, - "sigma": 1.3078, - "epsilon_k": 131.79 - }, - "molarweight": 13.01854 - }, - { - "identifier": "CH2_pent", - "model_record": { - "m": 0.90057, - "sigma": 3.0437, - "epsilon_k": 158.34 - }, - "molarweight": 14.02658 - }, - { - "identifier": "CH_pent", - "model_record": { - "m": 0.69343, - "sigma": 1.2894, - "epsilon_k": 140.69 - }, - "molarweight": 13.01854 - }, - { - "identifier": "CH_arom", - "model_record": { - "m": 0.88259, - "sigma": 2.9475, - "epsilon_k": 156.51 - }, - "molarweight": 13.01854 - }, - { - "identifier": "C_arom", - "model_record": { - "m": 0.77531, - "sigma": 1.6719, - "epsilon_k": 178.81 - }, - "molarweight": 12.0107 - }, - { - "identifier": "CH=O", - "model_record": { - "m": 1.1889, - "sigma": 3.2948, - "epsilon_k": 316.91, - "mu": 2.4126, - "nb": 1, - "kappa_ab": 0.009583, - "epsilon_k_ab": 2280.0366222356424 - }, - "molarweight": 29.01754 - }, - { - "identifier": ">C=O", - "model_record": { - "m": 1.1889, - "sigma": 3.1026, - "epsilon_k": 280.43, - "mu": 3.4167, - "nb": 1, - "kappa_ab": 0.009583, - "epsilon_k_ab": 2054.866269673726 - }, - "molarweight": 28.0097 - }, - { - "identifier": "OCH3", - "model_record": { - "m": 1.1907, - "sigma": 2.7795, - "epsilon_k": 284.91, - "mu": 0.0, - "nb": 1, - "kappa_ab": 0.009583, - "epsilon_k_ab": 1317.5736596522224 - }, - "molarweight": 31.03322 - }, - { - "identifier": "OCH2", - "model_record": { - "m": 1.1817, - "sigma": 3.009, - "epsilon_k": 203.11, - "mu": 2.6945, - "nb": 1, - "kappa_ab": 0.009583, - "epsilon_k_ab": 1317.5736596522224 - }, - "molarweight": 30.02538 - }, - { - "identifier": "HCOO", - "model_record": { - "m": 1.2789, - "sigma": 3.373, - "epsilon_k": 307.44, - "mu": 2.6808, - "nb": 2, - "kappa_ab": 0.009583, - "epsilon_k_ab": 790.1460808205942 - }, - "molarweight": 45.01654 - }, - { - "identifier": "COO", - "model_record": { - "m": 1.2869, - "sigma": 3.0643, - "epsilon_k": 273.9, - "mu": 3.3428, - "nb": 2, - "kappa_ab": 0.009583, - "epsilon_k_ab": 1417.55026169603 - }, - "molarweight": 44.0087 - }, - { - "identifier": "OH", - "model_record": { - "m": 1.0231, - "sigma": 2.7702, - "epsilon_k": 334.29, - "epsilon_k_ab": 2575.9, - "kappa_ab": 0.009583, - "na": 1, - "nb": 1 - }, - "molarweight": 17.00734 - }, - { - "identifier": "NH2", - "model_record": { - "m": 0.82284, - "sigma": 3.1129, - "epsilon_k": 309.93, - "epsilon_k_ab": 1471.5, - "kappa_ab": 0.005769, - "na": 1, - "nb": 1 - }, - "molarweight": 16.02238 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/rehner2023_hetero_binary.json b/parameters_old/pcsaft/rehner2023_hetero_binary.json deleted file mode 100644 index 1d133172b..000000000 --- a/parameters_old/pcsaft/rehner2023_hetero_binary.json +++ /dev/null @@ -1,672 +0,0 @@ -[ - { - "id1": "CH3", - "id2": "C≡CH", - "model_record": 0.1652754031504817 - }, - { - "id1": "CH2", - "id2": "C≡CH", - "model_record": -0.006553805247652898 - }, - { - "id1": ">CH", - "id2": "C≡CH", - "model_record": -0.45179562711827204 - }, - { - "id1": ">CH", - "id2": "CH_arom", - "model_record": -0.2623133986577006 - }, - { - "id1": "CH3", - "id2": "C_arom", - "model_record": 0.1029438146806397 - }, - { - "id1": "CH2", - "id2": "C_arom", - "model_record": -0.019417887747868838 - }, - { - "id1": ">C<", - "id2": "C_arom", - "model_record": 0.0 - }, - { - "id1": "CH3", - "id2": "CH_arom", - "model_record": 0.03524440115729556 - }, - { - "id1": "CH2", - "id2": "CH_arom", - "model_record": -0.005376660474268035 - }, - { - "id1": ">C<", - "id2": "CH_arom", - "model_record": 0.0 - }, - { - "id1": ">CH", - "id2": "C_arom", - "model_record": -0.4536159179058391 - }, - { - "id1": "CH3", - "id2": "CH=O", - "model_record": 0.07114002498453002 - }, - { - "id1": "CH2", - "id2": "CH=O", - "model_record": 0.05810424929073859 - }, - { - "id1": ">C=O", - "id2": "CH3", - "model_record": 0.06638452980811302 - }, - { - "id1": ">C=O", - "id2": "CH2", - "model_record": 0.053964852486994674 - }, - { - "id1": ">C=O", - "id2": ">CH", - "model_record": -0.01886821792425231 - }, - { - "id1": ">C<", - "id2": ">C=O", - "model_record": 0.0 - }, - { - "id1": "CH3", - "id2": "OCH2", - "model_record": 0.0040270442665658705 - }, - { - "id1": ">CH", - "id2": "OCH3", - "model_record": -0.217389127174595 - }, - { - "id1": "CH2", - "id2": "OCH2", - "model_record": -0.015001007000489858 - }, - { - "id1": ">C<", - "id2": "OCH2", - "model_record": 0.0 - }, - { - "id1": "CH3", - "id2": "OCH3", - "model_record": 0.04370031373865 - }, - { - "id1": ">CH", - "id2": "OCH2", - "model_record": -0.038601031822155345 - }, - { - "id1": "CH2", - "id2": "OCH3", - "model_record": 0.021857618541656035 - }, - { - "id1": ">C<", - "id2": "OCH3", - "model_record": 0.0 - }, - { - "id1": "CH3", - "id2": "HCOO", - "model_record": 0.046221094393257035 - }, - { - "id1": "CH2", - "id2": "HCOO", - "model_record": 0.07467469076976556 - }, - { - "id1": ">CH", - "id2": "COO", - "model_record": 0.17498779403987508 - }, - { - "id1": ">C<", - "id2": "COO", - "model_record": 0.0 - }, - { - "id1": "CH3", - "id2": "COO", - "model_record": 0.05050525601666908 - }, - { - "id1": "CH2", - "id2": "COO", - "model_record": 0.04126150329459275 - }, - { - "id1": "=CH2", - "id2": "C≡CH", - "model_record": 0.28518205265981117 - }, - { - "id1": "=CH", - "id2": "C≡CH", - "model_record": -0.19471892756822953 - }, - { - "id1": "=C<", - "id2": "C≡CH", - "model_record": -0.37966037059629637 - }, - { - "id1": "=CH", - "id2": "C_arom", - "model_record": -0.04794957652572591 - }, - { - "id1": "=C<", - "id2": "C_arom", - "model_record": -0.19059760666493372 - }, - { - "id1": "=CH2", - "id2": "C_arom", - "model_record": 0.002829235390387696 - }, - { - "id1": "=CH", - "id2": "CH_arom", - "model_record": 0.008744506522926979 - }, - { - "id1": "=C<", - "id2": "CH_arom", - "model_record": -0.15988275905975652 - }, - { - "id1": "=CH2", - "id2": "CH_arom", - "model_record": 0.039714702972518216 - }, - { - "id1": "=C<", - "id2": ">C=O", - "model_record": -0.23303936628601363 - }, - { - "id1": "=CH2", - "id2": ">C=O", - "model_record": 0.0451103450863995 - }, - { - "id1": "=CH", - "id2": ">C=O", - "model_record": 0.0028282796817093118 - }, - { - "id1": "=CH2", - "id2": "OCH3", - "model_record": -0.017336555493171858 - }, - { - "id1": "=CH", - "id2": "OCH2", - "model_record": 0.028713611730255537 - }, - { - "id1": "=C<", - "id2": "OCH2", - "model_record": -0.040576835006969125 - }, - { - "id1": "=CH2", - "id2": "OCH2", - "model_record": 0.02792348761278379 - }, - { - "id1": "=CH", - "id2": "OCH3", - "model_record": 0.021854680107075346 - }, - { - "id1": "=C<", - "id2": "OCH3", - "model_record": -0.21464227012985213 - }, - { - "id1": "=CH", - "id2": "HCOO", - "model_record": -0.021573291908933357 - }, - { - "id1": "=C<", - "id2": "HCOO", - "model_record": -0.021791386613505864 - }, - { - "id1": "=CH2", - "id2": "COO", - "model_record": -0.08063693709595326 - }, - { - "id1": "=CH", - "id2": "COO", - "model_record": -0.07829355920744586 - }, - { - "id1": "=C<", - "id2": "COO", - "model_record": -0.19510136763283895 - }, - { - "id1": "CH_arom", - "id2": "C≡CH", - "model_record": -0.04955767628386867 - }, - { - "id1": "C_arom", - "id2": "C≡CH", - "model_record": -0.04953394596854589 - }, - { - "id1": "CH=O", - "id2": "C≡CH", - "model_record": -0.33948211818518437 - }, - { - "id1": ">C=O", - "id2": "C≡CH", - "model_record": -0.3657376137845608 - }, - { - "id1": "C≡CH", - "id2": "OCH2", - "model_record": -0.3344648388007797 - }, - { - "id1": "C≡CH", - "id2": "OCH3", - "model_record": -0.38290586519600983 - }, - { - "id1": "C≡CH", - "id2": "HCOO", - "model_record": -0.24272079727170506 - }, - { - "id1": "COO", - "id2": "C≡CH", - "model_record": -0.3654438081227738 - }, - { - "id1": "C≡CH", - "id2": "OH", - "model_record": -0.10409652963367089 - }, - { - "id1": "CH_arom", - "id2": "C_arom", - "model_record": -0.12728867698722554 - }, - { - "id1": "CH_arom", - "id2": "CH_arom", - "model_record": -0.023433119170883764 - }, - { - "id1": "C_arom", - "id2": "C_arom", - "model_record": -0.28421918877688607 - }, - { - "id1": "CH2_hex", - "id2": "CH_arom", - "model_record": 0.001447550584366187 - }, - { - "id1": "CH_hex", - "id2": "C_arom", - "model_record": -0.40316115168074723 - }, - { - "id1": "CH_arom", - "id2": "CH_hex", - "model_record": -0.3576321797883022 - }, - { - "id1": "CH2_hex", - "id2": "C_arom", - "model_record": 0.08521616156959391 - }, - { - "id1": "CH_arom", - "id2": "CH_pent", - "model_record": -0.18714862430161244 - }, - { - "id1": "CH_pent", - "id2": "C_arom", - "model_record": 0.03457714936255159 - }, - { - "id1": "CH2_pent", - "id2": "C_arom", - "model_record": 0.03812116290565423 - }, - { - "id1": "CH2_pent", - "id2": "CH_arom", - "model_record": 0.004966663517893626 - }, - { - "id1": "CH=O", - "id2": "C_arom", - "model_record": -0.025044677100339502 - }, - { - "id1": "CH=O", - "id2": "CH_arom", - "model_record": -0.06309730593619743 - }, - { - "id1": ">C=O", - "id2": "CH_arom", - "model_record": -0.1106708081496441 - }, - { - "id1": ">C=O", - "id2": "C_arom", - "model_record": -0.04717854573415193 - }, - { - "id1": "C_arom", - "id2": "OCH3", - "model_record": -0.14006221692396298 - }, - { - "id1": "CH_arom", - "id2": "OCH2", - "model_record": -0.11744345395130776 - }, - { - "id1": "CH_arom", - "id2": "OCH3", - "model_record": -0.06563917699710337 - }, - { - "id1": "C_arom", - "id2": "OCH2", - "model_record": -0.03747169315781876 - }, - { - "id1": "CH_arom", - "id2": "HCOO", - "model_record": -0.04404325532489947 - }, - { - "id1": "C_arom", - "id2": "HCOO", - "model_record": 0.2898776740748664 - }, - { - "id1": "CH_arom", - "id2": "COO", - "model_record": -0.10600926342624745 - }, - { - "id1": "COO", - "id2": "C_arom", - "model_record": -0.11054573554364296 - }, - { - "id1": "C_arom", - "id2": "OH", - "model_record": 0.2990171120344822 - }, - { - "id1": "CH_arom", - "id2": "OH", - "model_record": -0.039398695604311314 - }, - { - "id1": "C_arom", - "id2": "NH2", - "model_record": 0.4535791221221567 - }, - { - "id1": "CH_arom", - "id2": "NH2", - "model_record": -0.06290638692043257 - }, - { - "id1": "CH2_hex", - "id2": "CH=O", - "model_record": 0.09047030071006708 - }, - { - "id1": "CH=O", - "id2": "CH_hex", - "model_record": -0.14747598417210014 - }, - { - "id1": ">C=O", - "id2": "CH_hex", - "model_record": 0.0676825668907787 - }, - { - "id1": ">C=O", - "id2": "CH2_hex", - "model_record": 0.09082375748804353 - }, - { - "id1": "CH2_hex", - "id2": "OCH3", - "model_record": 0.042823701076275526 - }, - { - "id1": "CH_hex", - "id2": "OCH2", - "model_record": -0.0936451919984422 - }, - { - "id1": "CH_hex", - "id2": "OCH3", - "model_record": 0.12111386208387202 - }, - { - "id1": "CH2_hex", - "id2": "OCH2", - "model_record": 0.013698887705260425 - }, - { - "id1": "CH2_hex", - "id2": "HCOO", - "model_record": 0.08719198819954514 - }, - { - "id1": "CH2_hex", - "id2": "COO", - "model_record": 0.05937938878778157 - }, - { - "id1": "CH_hex", - "id2": "COO", - "model_record": -0.10319900739370075 - }, - { - "id1": "CH2_hex", - "id2": "OH", - "model_record": 0.06127398203560399 - }, - { - "id1": "CH_hex", - "id2": "OH", - "model_record": 0.35825180807831797 - }, - { - "id1": "CH2_pent", - "id2": "COO", - "model_record": 0.05124310486288829 - }, - { - "id1": "CH_pent", - "id2": "OH", - "model_record": 0.11518421254437769 - }, - { - "id1": "CH2_pent", - "id2": "OH", - "model_record": 0.08215868571093943 - }, - { - "id1": "CH=O", - "id2": "CH=O", - "model_record": -0.1570556622280003 - }, - { - "id1": ">C=O", - "id2": "CH=O", - "model_record": -0.16452206370456918 - }, - { - "id1": "CH=O", - "id2": "OCH2", - "model_record": 0.0027095251191336708 - }, - { - "id1": "CH=O", - "id2": "HCOO", - "model_record": -0.07673278642721204 - }, - { - "id1": "CH=O", - "id2": "COO", - "model_record": -0.16365969940991995 - }, - { - "id1": "CH=O", - "id2": "OH", - "model_record": -0.12245349842770242 - }, - { - "id1": ">C=O", - "id2": ">C=O", - "model_record": -0.17931771307891634 - }, - { - "id1": ">C=O", - "id2": "OCH3", - "model_record": -0.20038719736411056 - }, - { - "id1": ">C=O", - "id2": "OCH2", - "model_record": 0.04468736703539099 - }, - { - "id1": ">C=O", - "id2": "HCOO", - "model_record": -0.13541978245760022 - }, - { - "id1": ">C=O", - "id2": "COO", - "model_record": -0.14605212162381323 - }, - { - "id1": ">C=O", - "id2": "OH", - "model_record": -0.1392769563372809 - }, - { - "id1": ">C=O", - "id2": "NH2", - "model_record": -0.371931948310995 - }, - { - "id1": "OCH2", - "id2": "OCH2", - "model_record": 0.09662571077941844 - }, - { - "id1": "OCH2", - "id2": "OCH3", - "model_record": -0.2812620283200189 - }, - { - "id1": "OCH3", - "id2": "OCH3", - "model_record": -0.13909723652059505 - }, - { - "id1": "HCOO", - "id2": "OCH3", - "model_record": -0.0929570619422749 - }, - { - "id1": "COO", - "id2": "OCH2", - "model_record": -0.11408007406963222 - }, - { - "id1": "COO", - "id2": "OCH3", - "model_record": -0.21710938244245623 - }, - { - "id1": "OCH2", - "id2": "OH", - "model_record": -0.014272196525878467 - }, - { - "id1": "OCH3", - "id2": "OH", - "model_record": -0.039585706351111166 - }, - { - "id1": "HCOO", - "id2": "HCOO", - "model_record": -0.14303475853269773 - }, - { - "id1": "COO", - "id2": "HCOO", - "model_record": -0.14056680898820434 - }, - { - "id1": "HCOO", - "id2": "OH", - "model_record": -0.11204049889700908 - }, - { - "id1": "COO", - "id2": "COO", - "model_record": -0.1879219131496382 - }, - { - "id1": "COO", - "id2": "OH", - "model_record": -0.09507071103459414 - }, - { - "id1": "COO", - "id2": "NH2", - "model_record": -0.2799573216348791 - }, - { - "id1": "NH2", - "id2": "OH", - "model_record": -0.42107448986356144 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/rehner2023_homo.json b/parameters_old/pcsaft/rehner2023_homo.json deleted file mode 100644 index c9c1c9f99..000000000 --- a/parameters_old/pcsaft/rehner2023_homo.json +++ /dev/null @@ -1,232 +0,0 @@ -[ - { - "identifier": "CH3", - "molarweight": 15.0345, - "model_record": { - "m": 0.61198, - "sigma": 3.7202, - "epsilon_k": 229.9 - } - }, - { - "identifier": "CH2", - "molarweight": 14.02658, - "model_record": { - "m": 0.45606, - "sigma": 3.89, - "epsilon_k": 239.01 - } - }, - { - "identifier": ">CH", - "molarweight": 13.01854, - "model_record": { - "m": 0.14304, - "sigma": 4.8597, - "epsilon_k": 347.64 - } - }, - { - "identifier": ">C<", - "molarweight": 12.0107, - "model_record": { - "m": -0.66997, - "sigma": -1.7878, - "epsilon_k": 107.68 - } - }, - { - "identifier": "=CH2", - "molarweight": 14.02658, - "model_record": { - "m": 0.36939, - "sigma": 4.0264, - "epsilon_k": 289.49 - } - }, - { - "identifier": "=CH", - "molarweight": 13.01854, - "model_record": { - "m": 0.56361, - "sigma": 3.5519, - "epsilon_k": 216.69 - } - }, - { - "identifier": "=C<", - "molarweight": 12.0107, - "model_record": { - "m": 0.86367, - "sigma": 3.1815, - "epsilon_k": 156.31 - } - }, - { - "identifier": "C\u2261CH", - "molarweight": 25.02924, - "model_record": { - "m": 1.3279, - "sigma": 2.9421, - "epsilon_k": 223.05 - } - }, - { - "identifier": "CH2_hex", - "molarweight": 14.02658, - "model_record": { - "m": 0.39496, - "sigma": 3.9126, - "epsilon_k": 289.03 - } - }, - { - "identifier": "CH_hex", - "molarweight": 13.01854, - "model_record": { - "m": 0.0288, - "sigma": 8.9779, - "epsilon_k": 1306.7 - } - }, - { - "identifier": "CH2_pent", - "molarweight": 14.02658, - "model_record": { - "m": 0.46742, - "sigma": 3.7272, - "epsilon_k": 267.16 - } - }, - { - "identifier": "CH_pent", - "molarweight": 13.01854, - "model_record": { - "m": 0.03314, - "sigma": 7.719, - "epsilon_k": 1297.7 - } - }, - { - "identifier": "CH_arom", - "molarweight": 13.01854, - "model_record": { - "m": 0.42335, - "sigma": 3.727, - "epsilon_k": 274.41 - } - }, - { - "identifier": "C_arom", - "molarweight": 12.0107, - "model_record": { - "m": 0.15371, - "sigma": 3.9622, - "epsilon_k": 527.2 - } - }, - { - "identifier": "CH=O", - "molarweight": 29.01754, - "model_record": { - "m": 1.5774, - "sigma": 2.8035, - "epsilon_k": 242.99, - "mu": 2.4556, - "kappa_ab": 0.006825, - "epsilon_k_ab": 2508.568605957324, - "nb": 1.0 - } - }, - { - "identifier": ">C=O", - "molarweight": 28.0097, - "model_record": { - "m": 1.223, - "sigma": 2.8124, - "epsilon_k": 249.04, - "mu": 3.2432, - "kappa_ab": 0.006825, - "epsilon_k_ab": 2109.2307097378066, - "nb": 1.0 - } - }, - { - "identifier": "OCH3", - "molarweight": 31.03322, - "model_record": { - "m": 1.6539, - "sigma": 3.0697, - "epsilon_k": 196.05, - "mu": 1.3866, - "kappa_ab": 0.006825, - "epsilon_k_ab": 1608.5313444575868, - "nb": 1.0 - } - }, - { - "identifier": "OCH2", - "molarweight": 30.02538, - "model_record": { - "m": 1.1349, - "sigma": 3.2037, - "epsilon_k": 187.13, - "mu": 2.744, - "kappa_ab": 0.006825, - "epsilon_k_ab": 1608.5313444575868, - "nb": 1.0 - } - }, - { - "identifier": "HCOO", - "molarweight": 45.01654, - "model_record": { - "m": 1.7525, - "sigma": 2.9043, - "epsilon_k": 229.63, - "mu": 2.7916, - "kappa_ab": 0.006825, - "epsilon_k_ab": 1162.0362135393, - "nb": 2.0 - } - }, - { - "identifier": "COO", - "molarweight": 44.0087, - "model_record": { - "m": 1.5063, - "sigma": 2.8166, - "epsilon_k": 222.52, - "mu": 3.1652, - "kappa_ab": 0.006825, - "epsilon_k_ab": 1510.936433363258, - "nb": 2.0 - } - }, - { - "identifier": "OH", - "molarweight": 17.00734, - "model_record": { - "m": 0.402, - "sigma": 3.2859, - "epsilon_k": 488.66, - "kappa_ab": 0.006825, - "epsilon_k_ab": 2517.0, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": "NH2", - "molarweight": 16.02238, - "model_record": { - "m": 0.40558, - "sigma": 3.6456, - "epsilon_k": 467.59, - "kappa_ab": 0.026662, - "epsilon_k_ab": 1064.6, - "na": 1.0, - "nb": 1.0 - } - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/rehner2023_homo_binary.json b/parameters_old/pcsaft/rehner2023_homo_binary.json deleted file mode 100644 index 621f6fe40..000000000 --- a/parameters_old/pcsaft/rehner2023_homo_binary.json +++ /dev/null @@ -1,672 +0,0 @@ -[ - { - "id1": ">CH", - "id2": "C≡CH", - "model_record": -0.18371738189391876 - }, - { - "id1": "CH2", - "id2": "C≡CH", - "model_record": 0.06723310157310154 - }, - { - "id1": "CH3", - "id2": "C≡CH", - "model_record": 0.1511413084403949 - }, - { - "id1": ">C<", - "id2": "C_arom", - "model_record": -0.30968501322545716 - }, - { - "id1": ">C<", - "id2": "CH_arom", - "model_record": -0.040269683728406204 - }, - { - "id1": "CH3", - "id2": "CH_arom", - "model_record": 0.045398744853650204 - }, - { - "id1": "CH2", - "id2": "C_arom", - "model_record": -0.06242075545369085 - }, - { - "id1": "CH3", - "id2": "C_arom", - "model_record": 0.11447930753452223 - }, - { - "id1": ">CH", - "id2": "C_arom", - "model_record": -0.4158624775122392 - }, - { - "id1": "CH2", - "id2": "CH_arom", - "model_record": 0.0037160477290278044 - }, - { - "id1": ">CH", - "id2": "CH_arom", - "model_record": -0.0367766719917285 - }, - { - "id1": "CH2", - "id2": "CH=O", - "model_record": 0.12305359647909934 - }, - { - "id1": "CH3", - "id2": "CH=O", - "model_record": 0.10187469034871167 - }, - { - "id1": ">C=O", - "id2": "CH2", - "model_record": 0.046191053863637005 - }, - { - "id1": ">C<", - "id2": ">C=O", - "model_record": 0.24968925951397747 - }, - { - "id1": ">C=O", - "id2": "CH3", - "model_record": 0.07726883079913838 - }, - { - "id1": ">C=O", - "id2": ">CH", - "model_record": -0.00045276712110988197 - }, - { - "id1": "CH3", - "id2": "OCH3", - "model_record": 0.08814654061145145 - }, - { - "id1": ">C<", - "id2": "OCH2", - "model_record": 0.21912131451666356 - }, - { - "id1": "CH2", - "id2": "OCH3", - "model_record": 0.037965107676736554 - }, - { - "id1": "CH2", - "id2": "OCH2", - "model_record": -0.03712493649357425 - }, - { - "id1": "CH3", - "id2": "OCH2", - "model_record": 0.04716136386377694 - }, - { - "id1": ">CH", - "id2": "OCH3", - "model_record": -0.03323101683228677 - }, - { - "id1": ">CH", - "id2": "OCH2", - "model_record": -0.22046996759454948 - }, - { - "id1": ">C<", - "id2": "OCH3", - "model_record": 0.03790972682658586 - }, - { - "id1": "CH3", - "id2": "HCOO", - "model_record": 0.045977954235034764 - }, - { - "id1": "CH2", - "id2": "HCOO", - "model_record": 0.11244290547170076 - }, - { - "id1": ">CH", - "id2": "COO", - "model_record": 0.1801469645626566 - }, - { - "id1": "CH2", - "id2": "COO", - "model_record": 0.08394999787145262 - }, - { - "id1": ">C<", - "id2": "COO", - "model_record": 0.21416752231606875 - }, - { - "id1": "CH3", - "id2": "COO", - "model_record": 0.04317047138905919 - }, - { - "id1": "=CH", - "id2": "C≡CH", - "model_record": -0.0423021283854757 - }, - { - "id1": "=C<", - "id2": "C≡CH", - "model_record": -0.3679698871258342 - }, - { - "id1": "=CH2", - "id2": "C≡CH", - "model_record": 0.12850802400950342 - }, - { - "id1": "=CH2", - "id2": "CH_arom", - "model_record": 0.07134226132398278 - }, - { - "id1": "=C<", - "id2": "C_arom", - "model_record": -0.2659542702867626 - }, - { - "id1": "=C<", - "id2": "CH_arom", - "model_record": -0.1210112284636777 - }, - { - "id1": "=CH", - "id2": "C_arom", - "model_record": -0.06577965904642215 - }, - { - "id1": "=CH2", - "id2": "C_arom", - "model_record": -0.08233061709834949 - }, - { - "id1": "=CH", - "id2": "CH_arom", - "model_record": -0.02777227236233225 - }, - { - "id1": "=CH2", - "id2": ">C=O", - "model_record": 0.01870397276432888 - }, - { - "id1": "=CH", - "id2": ">C=O", - "model_record": -0.07924746094295501 - }, - { - "id1": "=C<", - "id2": ">C=O", - "model_record": -0.3890984918446064 - }, - { - "id1": "=C<", - "id2": "OCH3", - "model_record": -0.26406219612376053 - }, - { - "id1": "=CH", - "id2": "OCH3", - "model_record": 0.08211035721381005 - }, - { - "id1": "=C<", - "id2": "OCH2", - "model_record": -0.22103185453388233 - }, - { - "id1": "=CH2", - "id2": "OCH3", - "model_record": -0.05488229227924732 - }, - { - "id1": "=CH", - "id2": "OCH2", - "model_record": 0.12042046990948997 - }, - { - "id1": "=CH2", - "id2": "OCH2", - "model_record": -0.16082219040056 - }, - { - "id1": "=CH", - "id2": "HCOO", - "model_record": -0.04924693944343094 - }, - { - "id1": "=C<", - "id2": "HCOO", - "model_record": -0.04924693944343094 - }, - { - "id1": "=CH", - "id2": "COO", - "model_record": -0.07465466121913379 - }, - { - "id1": "=C<", - "id2": "COO", - "model_record": -0.20912851003958197 - }, - { - "id1": "=CH2", - "id2": "COO", - "model_record": -0.1873284020798118 - }, - { - "id1": "C_arom", - "id2": "C≡CH", - "model_record": -0.06996738062245225 - }, - { - "id1": "CH_arom", - "id2": "C≡CH", - "model_record": -0.06997816145785027 - }, - { - "id1": "CH=O", - "id2": "C≡CH", - "model_record": -0.8036084995749746 - }, - { - "id1": ">C=O", - "id2": "C≡CH", - "model_record": -0.7245616793983386 - }, - { - "id1": "C≡CH", - "id2": "OCH3", - "model_record": -0.6973014503254631 - }, - { - "id1": "C≡CH", - "id2": "OCH2", - "model_record": -0.7124635912791397 - }, - { - "id1": "C≡CH", - "id2": "HCOO", - "model_record": -0.6491906341393756 - }, - { - "id1": "COO", - "id2": "C≡CH", - "model_record": -0.7706507183991701 - }, - { - "id1": "C≡CH", - "id2": "OH", - "model_record": -0.3953272203288893 - }, - { - "id1": "CH_arom", - "id2": "C_arom", - "model_record": -0.03992936106292302 - }, - { - "id1": "C_arom", - "id2": "C_arom", - "model_record": -0.24630026810220787 - }, - { - "id1": "CH_arom", - "id2": "CH_arom", - "model_record": -0.0017874528445781402 - }, - { - "id1": "CH2_hex", - "id2": "CH_arom", - "model_record": 0.016756385671790754 - }, - { - "id1": "CH_hex", - "id2": "C_arom", - "model_record": -0.2096597639152752 - }, - { - "id1": "CH2_hex", - "id2": "C_arom", - "model_record": 0.012541534230376803 - }, - { - "id1": "CH_arom", - "id2": "CH_hex", - "model_record": -0.005184457928999869 - }, - { - "id1": "CH_pent", - "id2": "C_arom", - "model_record": -0.030135433813644724 - }, - { - "id1": "CH2_pent", - "id2": "CH_arom", - "model_record": 0.016163719207036752 - }, - { - "id1": "CH2_pent", - "id2": "C_arom", - "model_record": -0.03015381422551497 - }, - { - "id1": "CH_arom", - "id2": "CH_pent", - "model_record": -0.0012280619452513725 - }, - { - "id1": "CH=O", - "id2": "CH_arom", - "model_record": -0.07298686010226767 - }, - { - "id1": "CH=O", - "id2": "C_arom", - "model_record": -0.03477418604459808 - }, - { - "id1": ">C=O", - "id2": "CH_arom", - "model_record": -0.17737259526633692 - }, - { - "id1": ">C=O", - "id2": "C_arom", - "model_record": -0.20890507062777522 - }, - { - "id1": "CH_arom", - "id2": "OCH2", - "model_record": -0.16191196233780558 - }, - { - "id1": "C_arom", - "id2": "OCH3", - "model_record": -0.17062941897764702 - }, - { - "id1": "C_arom", - "id2": "OCH2", - "model_record": -0.1143281639880095 - }, - { - "id1": "CH_arom", - "id2": "OCH3", - "model_record": -0.05806913031673688 - }, - { - "id1": "C_arom", - "id2": "HCOO", - "model_record": 0.05952617082632797 - }, - { - "id1": "CH_arom", - "id2": "HCOO", - "model_record": -0.07251503775066634 - }, - { - "id1": "COO", - "id2": "C_arom", - "model_record": -0.20843873998066137 - }, - { - "id1": "CH_arom", - "id2": "COO", - "model_record": -0.1466481167221345 - }, - { - "id1": "CH_arom", - "id2": "OH", - "model_record": -0.04264238269571497 - }, - { - "id1": "C_arom", - "id2": "OH", - "model_record": 0.0955212536852117 - }, - { - "id1": "CH_arom", - "id2": "NH2", - "model_record": -0.13578656303759865 - }, - { - "id1": "C_arom", - "id2": "NH2", - "model_record": 0.3245677118846664 - }, - { - "id1": "CH=O", - "id2": "CH_hex", - "model_record": 0.18126133081773227 - }, - { - "id1": "CH2_hex", - "id2": "CH=O", - "model_record": 0.15242908803430827 - }, - { - "id1": ">C=O", - "id2": "CH_hex", - "model_record": 0.20715143616696932 - }, - { - "id1": ">C=O", - "id2": "CH2_hex", - "model_record": 0.10105082239249716 - }, - { - "id1": "CH_hex", - "id2": "OCH3", - "model_record": 0.21758560291856807 - }, - { - "id1": "CH2_hex", - "id2": "OCH3", - "model_record": 0.038851491234467544 - }, - { - "id1": "CH_hex", - "id2": "OCH2", - "model_record": 0.12641108333024728 - }, - { - "id1": "CH2_hex", - "id2": "OCH2", - "model_record": -0.029859981746856126 - }, - { - "id1": "CH2_hex", - "id2": "HCOO", - "model_record": 0.13536601201087417 - }, - { - "id1": "CH2_hex", - "id2": "COO", - "model_record": 0.09766270569304139 - }, - { - "id1": "CH_hex", - "id2": "COO", - "model_record": 0.23359111174440955 - }, - { - "id1": "CH_hex", - "id2": "OH", - "model_record": 0.3012959587428203 - }, - { - "id1": "CH2_hex", - "id2": "OH", - "model_record": 0.06145194047695637 - }, - { - "id1": "CH2_pent", - "id2": "COO", - "model_record": 0.0591958981494055 - }, - { - "id1": "CH_pent", - "id2": "OH", - "model_record": 0.05049513358443987 - }, - { - "id1": "CH2_pent", - "id2": "OH", - "model_record": 0.06365860079027498 - }, - { - "id1": "CH=O", - "id2": "CH=O", - "model_record": -0.5266119495933976 - }, - { - "id1": ">C=O", - "id2": "CH=O", - "model_record": -0.3487549151972326 - }, - { - "id1": "CH=O", - "id2": "OCH2", - "model_record": -0.11976891848704076 - }, - { - "id1": "CH=O", - "id2": "HCOO", - "model_record": -0.1498229825699716 - }, - { - "id1": "CH=O", - "id2": "COO", - "model_record": -0.40091742710072753 - }, - { - "id1": "CH=O", - "id2": "OH", - "model_record": -0.3422480720079449 - }, - { - "id1": ">C=O", - "id2": ">C=O", - "model_record": -0.38212098851262305 - }, - { - "id1": ">C=O", - "id2": "OCH3", - "model_record": -0.40877394973926423 - }, - { - "id1": ">C=O", - "id2": "OCH2", - "model_record": -0.04638327660766271 - }, - { - "id1": ">C=O", - "id2": "HCOO", - "model_record": -0.2798038394521561 - }, - { - "id1": ">C=O", - "id2": "COO", - "model_record": -0.2616088977640821 - }, - { - "id1": ">C=O", - "id2": "OH", - "model_record": -0.21837396735346676 - }, - { - "id1": ">C=O", - "id2": "NH2", - "model_record": -0.6476561622488226 - }, - { - "id1": "OCH2", - "id2": "OCH3", - "model_record": -0.6939950193693598 - }, - { - "id1": "OCH3", - "id2": "OCH3", - "model_record": -0.380719319099956 - }, - { - "id1": "OCH2", - "id2": "OCH2", - "model_record": -0.1458789755687414 - }, - { - "id1": "HCOO", - "id2": "OCH3", - "model_record": -0.20616518678486087 - }, - { - "id1": "COO", - "id2": "OCH2", - "model_record": -0.1629180563538049 - }, - { - "id1": "COO", - "id2": "OCH3", - "model_record": -0.41914105984269306 - }, - { - "id1": "OCH2", - "id2": "OH", - "model_record": 0.01827388783404827 - }, - { - "id1": "OCH3", - "id2": "OH", - "model_record": -0.18820563057725898 - }, - { - "id1": "HCOO", - "id2": "HCOO", - "model_record": -0.43266513835360754 - }, - { - "id1": "COO", - "id2": "HCOO", - "model_record": -0.3051378987235245 - }, - { - "id1": "HCOO", - "id2": "OH", - "model_record": -0.21531477125536244 - }, - { - "id1": "COO", - "id2": "COO", - "model_record": -0.45645793824438036 - }, - { - "id1": "COO", - "id2": "OH", - "model_record": -0.2042011918642914 - }, - { - "id1": "COO", - "id2": "NH2", - "model_record": -0.4441846238871141 - }, - { - "id1": "NH2", - "id2": "OH", - "model_record": -0.7754077243242464 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/sauer2014_hetero.json b/parameters_old/pcsaft/sauer2014_hetero.json deleted file mode 100644 index fc5485f57..000000000 --- a/parameters_old/pcsaft/sauer2014_hetero.json +++ /dev/null @@ -1,214 +0,0 @@ -[ - { - "identifier": "CH3", - "model_record": { - "m": 0.77247, - "sigma": 3.6937, - "epsilon_k": 181.49 - }, - "molarweight": 15.0345 - }, - { - "identifier": "CH2", - "model_record": { - "m": 0.7912, - "sigma": 3.0207, - "epsilon_k": 157.23 - }, - "molarweight": 14.02658 - }, - { - "identifier": ">CH", - "model_record": { - "m": 0.52235, - "sigma": 0.99912, - "epsilon_k": 269.84 - }, - "molarweight": 13.01854 - }, - { - "identifier": ">C<", - "model_record": { - "m": -0.70131, - "sigma": 0.54350, - "epsilon_k": 0.0 - }, - "molarweight": 12.0107 - }, - { - "identifier": "=CH2", - "model_record": { - "m": 0.70581, - "sigma": 3.1630, - "epsilon_k": 171.34 - }, - "molarweight": 14.02658 - }, - { - "identifier": "=CH", - "model_record": { - "m": 0.90182, - "sigma": 2.8864, - "epsilon_k": 158.90 - }, - "molarweight": 13.01854 - }, - { - "identifier": "=C<", - "model_record": { - "m": 0.98505, - "sigma": 2.2450, - "epsilon_k": 146.86 - }, - "molarweight": 12.0107 - }, - { - "identifier": "C≡CH", - "model_record": { - "m": 1.1615, - "sigma": 3.3187, - "epsilon_k": 255.13 - }, - "molarweight": 25.02924 - }, - { - "identifier": "CH2_hex", - "model_record": { - "m": 0.87930, - "sigma": 2.9995, - "epsilon_k": 157.93 - }, - "molarweight": 14.02658 - }, - { - "identifier": "CH_hex", - "model_record": { - "m": 0.42115, - "sigma": 1.3078, - "epsilon_k": 131.79 - }, - "molarweight": 13.01854 - }, - { - "identifier": "CH2_pent", - "model_record": { - "m": 0.90057, - "sigma": 3.0437, - "epsilon_k": 158.34 - }, - "molarweight": 14.02658 - }, - { - "identifier": "CH_pent", - "model_record": { - "m": 0.69343, - "sigma": 1.2894, - "epsilon_k": 140.69 - }, - "molarweight": 13.01854 - }, - { - "identifier": "CH_arom", - "model_record": { - "m": 0.88259, - "sigma": 2.9475, - "epsilon_k": 156.51 - }, - "molarweight": 13.01854 - }, - { - "identifier": "C_arom", - "model_record": { - "m": 0.77531, - "sigma": 1.6719, - "epsilon_k": 178.81 - }, - "molarweight": 12.0107 - }, - { - "identifier": "CH=O", - "model_record": { - "m": 1.1889, - "sigma": 3.2948, - "epsilon_k": 316.91, - "mu": 2.4126 - }, - "molarweight": 29.01754 - }, - { - "identifier": ">C=O", - "model_record": { - "m": 1.1889, - "sigma": 3.1026, - "epsilon_k": 280.43, - "mu": 3.4167 - }, - "molarweight": 28.0097 - }, - { - "identifier": "OCH3", - "model_record": { - "m": 1.1907, - "sigma": 2.7795, - "epsilon_k": 284.91, - "mu": 0.000 - }, - "molarweight": 31.03322 - }, - { - "identifier": "OCH2", - "model_record": { - "m": 1.1817, - "sigma": 3.0090, - "epsilon_k": 203.11, - "mu": 2.6945 - }, - "molarweight": 30.02538 - }, - { - "identifier": "HCOO", - "model_record": { - "m": 1.2789, - "sigma": 3.3730, - "epsilon_k": 307.44, - "mu": 2.6808 - }, - "molarweight": 45.01654 - }, - { - "identifier": "COO", - "model_record": { - "m": 1.2869, - "sigma": 3.0643, - "epsilon_k": 273.90, - "mu": 3.3428 - }, - "molarweight": 44.0087 - }, - { - "identifier": "OH", - "model_record": { - "m": 1.0231, - "sigma": 2.7702, - "epsilon_k": 334.29, - "epsilon_k_ab": 2575.9, - "kappa_ab": 0.009583, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 17.00734 - }, - { - "identifier": "NH2", - "model_record": { - "m": 0.82284, - "sigma": 3.1129, - "epsilon_k": 309.93, - "epsilon_k_ab": 1471.5, - "kappa_ab": 0.005769, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 16.02238 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/sauer2014_homo.json b/parameters_old/pcsaft/sauer2014_homo.json deleted file mode 100644 index cb92a9fb0..000000000 --- a/parameters_old/pcsaft/sauer2014_homo.json +++ /dev/null @@ -1,214 +0,0 @@ -[ - { - "identifier": "CH3", - "model_record": { - "m": 0.61198, - "sigma": 3.7202, - "epsilon_k": 229.90 - }, - "molarweight": 15.0345 - }, - { - "identifier": "CH2", - "model_record": { - "m": 0.45606, - "sigma": 3.8900, - "epsilon_k": 239.01 - }, - "molarweight": 14.02658 - }, - { - "identifier": ">CH", - "model_record": { - "m": 0.14304, - "sigma": 4.8597, - "epsilon_k": 347.64 - }, - "molarweight": 13.01854 - }, - { - "identifier": ">C<", - "model_record": { - "m": -0.66997, - "sigma": -1.7878, - "epsilon_k": 107.68 - }, - "molarweight": 12.0107 - }, - { - "identifier": "=CH2", - "model_record": { - "m": 0.36939, - "sigma": 4.0264, - "epsilon_k": 289.49 - }, - "molarweight": 14.02658 - }, - { - "identifier": "=CH", - "model_record": { - "m": 0.56361, - "sigma": 3.5519, - "epsilon_k": 216.69 - }, - "molarweight": 13.01854 - }, - { - "identifier": "=C<", - "model_record": { - "m": 0.86367, - "sigma": 3.1815, - "epsilon_k": 156.31 - }, - "molarweight": 12.0107 - }, - { - "identifier": "C≡CH", - "model_record": { - "m": 1.3279, - "sigma": 2.9421, - "epsilon_k": 223.05 - }, - "molarweight": 25.02924 - }, - { - "identifier": "CH2_hex", - "model_record": { - "m": 0.39496, - "sigma": 3.9126, - "epsilon_k": 289.03 - }, - "molarweight": 14.02658 - }, - { - "identifier": "CH_hex", - "model_record": { - "m": 0.02880, - "sigma": 8.9779, - "epsilon_k": 1306.7 - }, - "molarweight": 13.01854 - }, - { - "identifier": "CH2_pent", - "model_record": { - "m": 0.46742, - "sigma": 3.7272, - "epsilon_k": 267.16 - }, - "molarweight": 14.02658 - }, - { - "identifier": "CH_pent", - "model_record": { - "m": 0.03314, - "sigma": 7.7190, - "epsilon_k": 1297.7 - }, - "molarweight": 13.01854 - }, - { - "identifier": "CH_arom", - "model_record": { - "m": 0.42335, - "sigma": 3.7270, - "epsilon_k": 274.41 - }, - "molarweight": 13.01854 - }, - { - "identifier": "C_arom", - "model_record": { - "m": 0.15371, - "sigma": 3.9622, - "epsilon_k": 527.20 - }, - "molarweight": 12.0107 - }, - { - "identifier": "CH=O", - "model_record": { - "m": 1.5774, - "sigma": 2.8035, - "epsilon_k": 242.99, - "mu": 2.4556 - }, - "molarweight": 29.01754 - }, - { - "identifier": ">C=O", - "model_record": { - "m": 1.2230, - "sigma": 2.8124, - "epsilon_k": 249.04, - "mu": 3.2432 - }, - "molarweight": 28.0097 - }, - { - "identifier": "OCH3", - "model_record": { - "m": 1.6539, - "sigma": 3.0697, - "epsilon_k": 196.05, - "mu": 1.3866 - }, - "molarweight": 31.03322 - }, - { - "identifier": "OCH2", - "model_record": { - "m": 1.1349, - "sigma": 3.2037, - "epsilon_k": 187.13, - "mu": 2.7440 - }, - "molarweight": 30.02538 - }, - { - "identifier": "HCOO", - "model_record": { - "m": 1.7525, - "sigma": 2.9043, - "epsilon_k": 229.63, - "mu": 2.7916 - }, - "molarweight": 45.01654 - }, - { - "identifier": "COO", - "model_record": { - "m": 1.5063, - "sigma": 2.8166, - "epsilon_k": 222.52, - "mu": 3.1652 - }, - "molarweight": 44.0087 - }, - { - "identifier": "OH", - "model_record": { - "m": 0.40200, - "sigma": 3.2859, - "epsilon_k": 488.66, - "epsilon_k_ab": 2517.0, - "kappa_ab": 0.006825, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 17.00734 - }, - { - "identifier": "NH2", - "model_record": { - "m": 0.40558, - "sigma": 3.6456, - "epsilon_k": 467.59, - "epsilon_k_ab": 1064.6, - "kappa_ab": 0.026662, - "na": 1.0, - "nb": 1.0 - }, - "molarweight": 16.02238 - } -] \ No newline at end of file diff --git a/parameters_old/pcsaft/sauer2014_smarts.json b/parameters_old/pcsaft/sauer2014_smarts.json deleted file mode 100644 index 3c5c901fd..000000000 --- a/parameters_old/pcsaft/sauer2014_smarts.json +++ /dev/null @@ -1,103 +0,0 @@ -[ - { - "group": "CH3", - "smarts": "[CH3;!$([CH3][CH3]);!$([CH3][OH]);!$([CH3][NH2])]" - }, - { - "group": "CH2", - "smarts": "[CX4H2;!R]" - }, - { - "group": ">CH", - "smarts": "[CX4H1;!R]" - }, - { - "group": ">C<", - "smarts": "[CX4H0;!R]" - }, - { - "group": "=CH2", - "smarts": "[CX3H2;!R;!$([CH2]=[CH2]);!$([CH2]=O)]" - }, - { - "group": "=CH", - "smarts": "[CX3H1;!R;!$([CX3H1]=O)]" - }, - { - "group": "=C<", - "smarts": "[CX3H0;!R;!$([CX3H0]=O)]" - }, - { - "group": "C≡CH", - "smarts": "[CH0]#[CH1]", - "max": 1 - }, - { - "group": "CH_arom", - "smarts": "[cH1;R]", - "max": 6 - }, - { - "group": "C_arom", - "smarts": "[cH0;R]", - "max": 6 - }, - { - "group": "CH2_pent", - "smarts": "[CX4H2;r5]", - "max": 5 - }, - { - "group": "CH_pent", - "smarts": "[CX4H1;r5]", - "max": 5 - }, - { - "group": "CH2_hex", - "smarts": "[CX4H2;r6]", - "max": 6 - }, - { - "group": "CH_hex", - "smarts": "[CX4H1;r6]", - "max": 6 - }, - { - "group": "CH=O", - "smarts": "[$([CH1][C,c])]=O", - "max": 1 - }, - { - "group": ">C=O", - "smarts": "[$([C]([C,c])([C,c]));!R]=O", - "max": 1 - }, - { - "group": "OCH3", - "smarts": "[$([O][C]);!$([O][C]=O)][CH3]", - "max": 1 - }, - { - "group": "OCH2", - "smarts": "[$([O]([CX4H0,CX4H1,CX4H2])[CX4H2]);!$([O][C]=O);!R][CX4H2]", - "max": 1 - }, - { - "group": "HCOO", - "smarts": "[CH1](=O)[$([OH0][C,c])]", - "max": 1 - }, - { - "group": "COO", - "smarts": "[$([CH0][C,c]);!R](=O)[$([OH0]([C,c])[C,c])]", - "max": 1 - }, - { - "group": "OH", - "smarts": "[$([OH][CX4H2])]" - }, - { - "group": "NH2", - "smarts": "[$([NH2][C,c]);!$([NH2][CH3])]" - } -] \ No newline at end of file diff --git a/parameters_old/saftvrmie/README.md b/parameters_old/saftvrmie/README.md deleted file mode 100644 index 59c6b3b95..000000000 --- a/parameters_old/saftvrmie/README.md +++ /dev/null @@ -1,10 +0,0 @@ -# SAFT-VR Mie Parameters - -This directory contains files with parameters for the SAFT-VR Mie equation of state. -The files named according to the pattern `NameYear.json` correspond to published parameters. The corresponding publication is provided in the [`literature.bib`](literature.bib) file. - -## Pure Substance Parameters - -| file | model | publication | -| -------------------------------------- | ----------------------------------------------------------------- | :--------------------------------------------: | -| [`lafitte2013.json`](lafitte2013.json) | Parameters reported in the original publication of Lafitte et al. | [🔗](https://doi.org/10.1063/1.4819786) | diff --git a/parameters_old/saftvrmie/lafitte2013.json b/parameters_old/saftvrmie/lafitte2013.json deleted file mode 100644 index 800bda6e7..000000000 --- a/parameters_old/saftvrmie/lafitte2013.json +++ /dev/null @@ -1,477 +0,0 @@ -[ - { - "identifier": { - "cas": "74-82-8", - "name": "methane", - "iupac_name": "methane", - "smiles": "C", - "inchi": "InChI=1S/CH4/h1H4" - }, - "molarweight": 16.031, - "model_record": { - "m": 1.0, - "sigma": 3.7412, - "epsilon_k": 153.36, - "lr": 12.65, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "74-84-0", - "name": "ethane", - "iupac_name": "ethane", - "smiles": "CC", - "inchi": "InChI=1S/C2H6/c1-2/h1-2H3" - }, - "molarweight": 30.047, - "model_record": { - "m": 1.4373, - "sigma": 3.7257, - "epsilon_k": 206.12, - "lr": 12.4, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "74-98-6", - "name": "propane", - "iupac_name": "propane", - "smiles": "CCC", - "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" - }, - "molarweight": 44.063, - "model_record": { - "m": 1.6845, - "sigma": 3.9056, - "epsilon_k": 239.89, - "lr": 13.006, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "106-97-8", - "name": "n-butane", - "iupac_name": "butane", - "smiles": "CCCC", - "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" - }, - "molarweight": 58.078, - "model_record": { - "m": 1.8514, - "sigma": 4.0887, - "epsilon_k": 273.64, - "lr": 13.65, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "109-66-0", - "name": "pentane", - "iupac_name": "pentane", - "smiles": "CCCCC", - "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" - }, - "molarweight": 72.094, - "model_record": { - "m": 1.9606, - "sigma": 4.2928, - "epsilon_k": 321.94, - "lr": 15.847, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "110-54-3", - "name": "hexane", - "iupac_name": "hexane", - "smiles": "CCCCCC", - "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" - }, - "molarweight": 86.11, - "model_record": { - "m": 2.1097, - "sigma": 4.423, - "epsilon_k": 354.38, - "lr": 17.203, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "142-82-5", - "name": "heptane", - "iupac_name": "heptane", - "smiles": "CCCCCCC", - "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" - }, - "molarweight": 100.125, - "model_record": { - "m": 2.3949, - "sigma": 4.4282, - "epsilon_k": 358.51, - "lr": 17.092, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "111-65-9", - "name": "octane", - "iupac_name": "octane", - "smiles": "CCCCCCCC", - "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" - }, - "molarweight": 114.141, - "model_record": { - "m": 2.6253, - "sigma": 4.4696, - "epsilon_k": 369.18, - "lr": 17.378, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "111-84-2", - "name": "nonane", - "iupac_name": "nonane", - "smiles": "CCCCCCCCC", - "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" - }, - "molarweight": 128.157, - "model_record": { - "m": 2.8099, - "sigma": 4.5334, - "epsilon_k": 387.55, - "lr": 18.324, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "124-18-5", - "name": "decane", - "iupac_name": "decane", - "smiles": "CCCCCCCCCC", - "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" - }, - "molarweight": 142.172, - "model_record": { - "m": 2.9976, - "sigma": 4.589, - "epsilon_k": 400.79, - "lr": 18.885, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "112-40-3", - "name": "dodecane", - "iupac_name": "dodecane", - "smiles": "CCCCCCCCCCCC", - "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" - }, - "molarweight": 170.203, - "model_record": { - "m": 3.2519, - "sigma": 4.7484, - "epsilon_k": 437.72, - "lr": 20.862, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "629-62-9", - "name": "pentadecane", - "iupac_name": "pentadecane", - "smiles": "CCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" - }, - "molarweight": 212.25, - "model_record": { - "m": 3.9325, - "sigma": 4.7738, - "epsilon_k": 444.51, - "lr": 20.822, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "112-95-8", - "name": "eicosane", - "iupac_name": "icosane", - "smiles": "CCCCCCCCCCCCCCCCCCCC", - "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" - }, - "molarweight": 282.329, - "model_record": { - "m": 4.8794, - "sigma": 4.8788, - "epsilon_k": 475.76, - "lr": 22.926, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "67-56-1", - "name": "methanol", - "iupac_name": "methanol", - "smiles": "CO", - "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3" - }, - "molarweight": 32.026, - "model_record": { - "m": 1.5283, - "sigma": 3.3063, - "epsilon_k": 167.72, - "lr": 8.6556, - "la": 6.0, - "rc_ab": 0.41314, - "epsilon_k_ab": 2904.7, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "64-17-5", - "name": "ethanol", - "iupac_name": "ethanol", - "smiles": "CCO", - "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" - }, - "molarweight": 46.042, - "model_record": { - "m": 1.96, - "sigma": 3.4914, - "epsilon_k": 168.15, - "lr": 7.6134, - "la": 6.0, - "rc_ab": 0.34558, - "epsilon_k_ab": 2833.7, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "71-23-8", - "name": "1-propanol", - "iupac_name": "propan-1-ol", - "smiles": "CCCO", - "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" - }, - "molarweight": 60.058, - "model_record": { - "m": 2.3356, - "sigma": 3.5612, - "epsilon_k": 227.66, - "lr": 10.179, - "la": 6.0, - "rc_ab": 0.35377, - "epsilon_k_ab": 2746.2, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "71-36-3", - "name": "1-butanol", - "iupac_name": "butan-1-ol", - "smiles": "CCCCO", - "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" - }, - "molarweight": 74.073, - "model_record": { - "m": 2.4377, - "sigma": 3.7856, - "epsilon_k": 278.92, - "lr": 11.66, - "la": 6.0, - "rc_ab": 0.32449, - "epsilon_k_ab": 2728.1, - "na": 1.0, - "nb": 1.0 - } - }, - { - "identifier": { - "cas": "75-73-0", - "name": "tetrafluoromethane [r14]", - "iupac_name": "tetrafluoromethane", - "smiles": "FC(F)(F)F", - "inchi": "InChI=1S/CF4/c2-1(3,4)5" - }, - "molarweight": 87.994, - "model_record": { - "m": 1.0, - "sigma": 4.3372, - "epsilon_k": 232.62, - "lr": 42.553, - "la": 5.1906 - } - }, - { - "identifier": { - "cas": "76-16-4", - "name": "hexafluoroethane [r116]", - "iupac_name": "1,1,1,2,2,2-hexafluoroethane", - "smiles": "FC(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8" - }, - "molarweight": 137.99, - "model_record": { - "m": 1.8529, - "sigma": 3.9336, - "epsilon_k": 211.46, - "lr": 19.192, - "la": 5.7506 - } - }, - { - "identifier": { - "cas": "76-19-7", - "name": "perfluoropropane [r218]", - "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11" - }, - "molarweight": 187.987, - "model_record": { - "m": 1.9401, - "sigma": 4.2983, - "epsilon_k": 263.26, - "lr": 22.627, - "la": 5.7506 - } - }, - { - "identifier": { - "cas": "355-25-9", - "name": "perfluorobutane", - "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14" - }, - "molarweight": 237.984, - "model_record": { - "m": 2.1983, - "sigma": 4.4495, - "epsilon_k": 290.49, - "lr": 24.761, - "la": 5.7506 - } - }, - { - "identifier": { - "cas": "678-26-2", - "name": "perfluoropentane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17" - }, - "molarweight": 287.981, - "model_record": { - "m": 2.3783, - "sigma": 4.6132, - "epsilon_k": 328.56, - "lr": 29.75, - "la": 5.7506 - } - }, - { - "identifier": { - "cas": "355-42-0", - "name": "perfluorohexane", - "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane", - "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", - "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" - }, - "molarweight": 337.978, - "model_record": { - "m": 2.5202, - "sigma": 4.7885, - "epsilon_k": 349.3, - "lr": 30.741, - "la": 5.7506 - } - }, - { - "identifier": { - "cas": "7782-41-4", - "name": "fluorine", - "iupac_name": "molecular fluorine", - "smiles": "FF", - "inchi": "InChI=1S/F2/c1-2" - }, - "molarweight": 37.997, - "model_record": { - "m": 1.3211, - "sigma": 2.9554, - "epsilon_k": 96.268, - "lr": 11.606, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "124-38-9", - "name": "carbon dioxide", - "iupac_name": "carbon dioxide", - "smiles": "O=C=O", - "inchi": "InChI=1S/CO2/c2-1-3" - }, - "molarweight": 43.99, - "model_record": { - "m": 1.5, - "sigma": 3.1916, - "epsilon_k": 231.88, - "lr": 27.557, - "la": 5.1646 - } - }, - { - "identifier": { - "cas": "71-43-2", - "name": "benzene", - "iupac_name": "benzene", - "smiles": "c1ccccc1", - "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - }, - "molarweight": 78.047, - "model_record": { - "m": 1.9163, - "sigma": 4.0549, - "epsilon_k": 372.59, - "lr": 14.798, - "la": 6.0 - } - }, - { - "identifier": { - "cas": "108-88-3", - "name": "toluene", - "iupac_name": "toluene", - "smiles": "Cc1ccccc1", - "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" - }, - "molarweight": 92.063, - "model_record": { - "m": 1.9977, - "sigma": 4.2777, - "epsilon_k": 409.73, - "lr": 16.334, - "la": 6.0 - } - } -] diff --git a/parameters_old/saftvrmie/literature.bib b/parameters_old/saftvrmie/literature.bib deleted file mode 100644 index 5022e5e17..000000000 --- a/parameters_old/saftvrmie/literature.bib +++ /dev/null @@ -1,13 +0,0 @@ -@article{lafitte2013, - author = {Lafitte, Thomas and Apostolakou, Anastasia and Avendaño, Carlos and Galindo, Amparo and Adjiman, Claire S. and Müller, Erich A. and Jackson, George}, - title = "{Accurate statistical associating fluid theory for chain molecules formed from Mie segments}", - journal = {The Journal of Chemical Physics}, - volume = {139}, - number = {15}, - pages = {154504}, - year = {2013}, - month = {10}, - issn = {0021-9606}, - doi = {10.1063/1.4819786}, - url = {https://doi.org/10.1063/1.4819786} -} diff --git a/parameters_old/saftvrqmie/README.md b/parameters_old/saftvrqmie/README.md deleted file mode 100644 index d7c3f48f9..000000000 --- a/parameters_old/saftvrqmie/README.md +++ /dev/null @@ -1,22 +0,0 @@ -# SAFT-VRQ Mie Parameters - -This directory contains files with parameters for SAFT-VRQ Mie equation of state. -The files named according to the pattern `NameYear.json` correspond to published parameters. The corresponding publication is provided in the [`literature.bib`](literature.bib) file. - -## Notes - -- Para-hydrogen, ortho-hydrogen, and normal hydrogen (3:1 mixture of ortho- and para-hydrogen) have different parameters. **Use the `name` field of the identifier to distinguish between the different versions**. Using other identifier fields (e.g. `formula` or `smiles`) may lead to the wrong set of parameters being used. -- Following [Aasen et al. (2019)](https://aip.scitation.org/doi/full/10.1063/1.5111364) we provide separate parameters for the **specific orders** of the Feynman-Hibbs correction. The compatible order is denoted in the "model" column. - - -## Pure Substance Parameters -|file|model|publication| -|-|-|:-:| -[`aasen2019.json`](aasen2019.json) | first-order Feynman-Hibbs correction parameters. | [🔗](https://doi.org/10.1063/1.5111364) -[`hammer2023.json`](hammer2023.json) | first-order Feynman-Hibbs correction parameters used for (but not adjusted to) surface tensions. | [🔗](https://doi.org/10.1063/5.0137226) - -## Binary Parameters - -|file|model|publication| -|-|-|:-:| -[`aasen2020_binary.json`](aasen2020_binary.json) | first-order Feynman-Hibbs correction binary interaction parameters. Compatible with [`aasen2019.json`](aasen2019.json) and [`hammer2023.json`](hammer2023.json) | [🔗](https://doi.org/10.1063/1.5136079) diff --git a/parameters_old/saftvrqmie/aasen2019.json b/parameters_old/saftvrqmie/aasen2019.json deleted file mode 100644 index 6f08c23e1..000000000 --- a/parameters_old/saftvrqmie/aasen2019.json +++ /dev/null @@ -1,116 +0,0 @@ -[ - { - "identifier": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "m": 1.0, - "sigma": 3.0243, - "epsilon_k": 26.706, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 2.0157309551872 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "m": 1.0, - "sigma": 3.0235, - "epsilon_k": 26.5860, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 2.0157309551872 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "m": 1.0, - "sigma": 3.0239, - "epsilon_k": 26.7160, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 2.0157309551872 - }, - { - "identifier": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "model_record": { - "m": 1.0, - "sigma": 2.7778, - "epsilon_k": 37.501, - "lr": 13.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 20.17969806457545 - }, - { - "identifier": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "model_record": { - "m": 1.0, - "sigma": 2.7443, - "epsilon_k": 5.4195, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 4.002601643881807 - }, - { - "identifier": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "m": 1.0, - "sigma": 3.0203, - "epsilon_k": 30.273, - "lr": 10.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 4.028209954364 - } -] diff --git a/parameters_old/saftvrqmie/aasen2019_fh2.json b/parameters_old/saftvrqmie/aasen2019_fh2.json deleted file mode 100644 index 6e7dbf91b..000000000 --- a/parameters_old/saftvrqmie/aasen2019_fh2.json +++ /dev/null @@ -1,116 +0,0 @@ -[ - { - "identifier": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "m": 1.0, - "sigma": 2.9195, - "epsilon_k": 55.7290, - "lr": 20.0, - "la": 6.0, - "fh": 2 - }, - "molarweight": 2.0157309551872 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "m": 1.0, - "sigma": 2.9185, - "epsilon_k": 55.5190, - "lr": 20.0, - "la": 6.0, - "fh": 2 - }, - "molarweight": 2.0157309551872 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "m": 1.0, - "sigma": 2.9191, - "epsilon_k": 55.7490, - "lr": 20.0, - "la": 6.0, - "fh": 2 - }, - "molarweight": 2.0157309551872 - }, - { - "identifier": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "model_record": { - "m": 1.0, - "sigma": 2.7760, - "epsilon_k": 37.716, - "lr": 13.0, - "la": 6.0, - "fh": 2 - }, - "molarweight": 20.17969806457545 - }, - { - "identifier": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "model_record": { - "m": 1.0, - "sigma": 2.5490, - "epsilon_k": 10.9520, - "lr": 13.0, - "la": 6.0, - "fh": 2 - }, - "molarweight": 4.002601643881807 - }, - { - "identifier": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "m": 1.0, - "sigma": 2.9897, - "epsilon_k": 36.9130, - "lr": 12.0, - "la": 6.0, - "fh": 2 - }, - "molarweight": 4.028209954364 - } -] diff --git a/parameters_old/saftvrqmie/aasen2020_binary.json b/parameters_old/saftvrqmie/aasen2020_binary.json deleted file mode 100644 index 7bb0d5376..000000000 --- a/parameters_old/saftvrqmie/aasen2020_binary.json +++ /dev/null @@ -1,288 +0,0 @@ -[ - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "model_record": { - "k_ij": 0.105, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "model_record": { - "k_ij": 0.08, - "l_ij": -0.05 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "k_ij": 0.0, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "model_record": { - "k_ij": 0.105, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "model_record": { - "k_ij": 0.08, - "l_ij": -0.05 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "k_ij": 0.0, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "model_record": { - "k_ij": 0.105, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "model_record": { - "k_ij": 0.08, - "l_ij": -0.05 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "k_ij": 0.0, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "k_ij": 0.0, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "k_ij": 0.0, - "l_ij": -0.05 - } - }, - { - "id1": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "model_record": { - "k_ij": -0.22, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "k_ij": 0.13, - "l_ij": 0.0 - } - } -] diff --git a/parameters_old/saftvrqmie/aasen2020_binary_fh2.json b/parameters_old/saftvrqmie/aasen2020_binary_fh2.json deleted file mode 100644 index a58172950..000000000 --- a/parameters_old/saftvrqmie/aasen2020_binary_fh2.json +++ /dev/null @@ -1,134 +0,0 @@ -[ - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "model_record": { - "k_ij": 0.105, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "model_record": { - "k_ij": 0.15, - "l_ij": -0.025 - } - }, - { - "id1": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "k_ij": -0.04, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "k_ij": 0.12, - "l_ij": -0.05 - } - }, - { - "id1": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "id2": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "model_record": { - "k_ij": -0.06, - "l_ij": 0.0 - } - }, - { - "id1": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "id2": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "k_ij": 0.14, - "l_ij": 0.0 - } - } -] diff --git a/parameters_old/saftvrqmie/hammer2023.json b/parameters_old/saftvrqmie/hammer2023.json deleted file mode 100644 index 46015cc5c..000000000 --- a/parameters_old/saftvrqmie/hammer2023.json +++ /dev/null @@ -1,116 +0,0 @@ -[ - { - "identifier": { - "cas": "1333-74-0", - "name": "hydrogen", - "iupac_name": "hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "m": 1.0, - "sigma": 3.0243, - "epsilon_k": 26.706, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 2.0157309551872 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "para-hydrogen", - "iupac_name": "para-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "m": 1.0, - "sigma": 3.0235, - "epsilon_k": 26.5860, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 2.0157309551872 - }, - { - "identifier": { - "cas": "1333-74-0", - "name": "ortho-hydrogen", - "iupac_name": "ortho-hydrogen", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H", - "formula": "H2" - }, - "model_record": { - "m": 1.0, - "sigma": 3.0239, - "epsilon_k": 26.7160, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 2.0157309551872 - }, - { - "identifier": { - "cas": "7440-01-9", - "name": "neon", - "iupac_name": "neon", - "smiles": "[Ne]", - "inchi": "InChI=1S/Ne", - "formula": "Ne" - }, - "model_record": { - "m": 1.0, - "sigma": 2.7778, - "epsilon_k": 37.501, - "lr": 13.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 20.17969806457545 - }, - { - "identifier": { - "cas": "7440-59-7", - "name": "helium", - "iupac_name": "helium", - "smiles": "[He]", - "inchi": "InChI=1S/He", - "formula": "He" - }, - "model_record": { - "m": 1.0, - "sigma": 2.7443, - "epsilon_k": 5.4195, - "lr": 9.0, - "la": 6.0, - "fh": 1 - }, - "molarweight": 4.002601643881807 - }, - { - "identifier": { - "cas": "7782-39-0", - "name": "deuterium", - "iupac_name": "deuterium", - "smiles": "[HH]", - "inchi": "InChI=1S/H2/h1H/i1+1D", - "formula": "D2" - }, - "model_record": { - "m": 1.0, - "sigma": 3.0087, - "epsilon_k": 39.2388, - "lr": 11.0, - "la": 7.0, - "fh": 1 - }, - "molarweight": 4.028209954364 - } -] diff --git a/parameters_old/saftvrqmie/literature.bib b/parameters_old/saftvrqmie/literature.bib deleted file mode 100644 index 1cd9f5ea2..000000000 --- a/parameters_old/saftvrqmie/literature.bib +++ /dev/null @@ -1,48 +0,0 @@ -@article{aasen2019, - author = {Aasen, Ailo and Hammer, Morten and Ervik, {\AA}smund - and M{\"u}ller, Erich A. and Wilhelmsen, {\O}ivind}, - title = {Equation of State and Force Fields for - {{Feynman}}\textendash{{Hibbs-corrected Mie}} - Fluids. {{I}}. {{Application}} to Pure Helium, Neon, - Hydrogen, and Deuterium}, - journal = {Journal of Chemical Physics}, - month = aug, - number = {6}, - pages = {064508}, - volume = {151}, - year = {2019}, - doi = {10.1063/1.5111364}, - url = {https://doi.org/10.1063/1.5111364} -} - -@article{aasen2020, - author = {Aasen, Ailo and Hammer, Morten and M{\"u}ller, Erich - A. and Wilhelmsen, {\O}ivind}, - title = {Equation of State and Force Fields for - {{Feynman}}\textendash{{Hibbs-corrected Mie}} - Fluids. {{II}}. {{Application}} to Mixtures of - Helium, Neon, Hydrogen, and Deuterium}, - journal = {Journal of Chemical Physics}, - month = feb, - number = {7}, - pages = {074507}, - volume = {152}, - year = {2020}, - doi = {10.1063/1.5136079}, - url = {https://doi.org/10.1063/1.5136079} -} - -@article{hammer2023, - author = {Hammer, Morten and Bauer, Gernot and Stierle, Rolf and Gross, Joachim and Wilhelmsen, Øivind}, - title = "{Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon, and their mixtures}", - journal = {The Journal of Chemical Physics}, - volume = {158}, - number = {10}, - year = {2023}, - month = {03}, - issn = {0021-9606}, - doi = {10.1063/5.0137226}, - url = {https://doi.org/10.1063/5.0137226}, - note = {104107}, - eprint = {https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0137226/16790502/104107\_1\_online.pdf}, -} diff --git a/py-feos/Cargo.toml b/py-feos/Cargo.toml deleted file mode 100644 index 0ab58879b..000000000 --- a/py-feos/Cargo.toml +++ /dev/null @@ -1,73 +0,0 @@ -[package] -name = "py_feos" -edition.workspace = true -version.workspace = true -authors.workspace = true -homepage.workspace = true -license.workspace = true -repository.workspace = true -keywords.workspace = true -categories.workspace = true -description = "FeOs - A framework for equations of state and classical density functional theory." - -[lib] -name = "feos" -crate-type = ["cdylib"] - -[dependencies] -pyo3 = { version = "0.27", features = [ - "multiple-pymethods", - "indexmap" -] } -pythonize = "0.27" -numpy = { version = "0.27" } - -quantity = { workspace = true, features = ["python", "python_numpy"] } -num-dual = { workspace = true, features = ["python_macro"] } -nalgebra = { workspace = true } -ndarray = { workspace = true } -petgraph = { workspace = true, optional = true } -thiserror = { workspace = true } -conv = { workspace = true } -num-traits = { workspace = true } -serde = { workspace = true } -serde_json = { workspace = true } -indexmap = { workspace = true } -rayon = { workspace = true, optional = true } -itertools = { workspace = true } -typenum = { workspace = true } -paste = { workspace = true } - -feos = { workspace = true } -feos-core = { workspace = true, features = ["ndarray"] } -feos-derive = { workspace = true } -feos-dft = { workspace = true, optional = true } - -[features] -default = [] -dft = ["feos/dft", "feos-dft", "petgraph", "rayon"] -pcsaft = ["feos/pcsaft"] -epcsaft = ["feos/epcsaft"] -gc_pcsaft = ["feos/gc_pcsaft"] -uvtheory = ["feos/uvtheory"] -pets = ["feos/pets"] -saftvrqmie = ["feos/saftvrqmie"] -saftvrmie = ["feos/saftvrmie"] -multiparameter = ["feos/multiparameter"] -rayon = ["dep:rayon", "ndarray/rayon", "feos-core/rayon", "feos-dft?/rayon"] -ad = ["feos-core/rayon", "feos/pcsaft"] -all_models = [ - "dft", - "pcsaft", - "epcsaft", - "gc_pcsaft", - "uvtheory", - "pets", - "saftvrqmie", - "saftvrmie", - "multiparameter", - "ad" -] - -[dev-dependencies] -tempfile = "3.24.0" diff --git a/py-feos/README.md b/py-feos/README.md deleted file mode 120000 index 32d46ee88..000000000 --- a/py-feos/README.md +++ /dev/null @@ -1 +0,0 @@ -../README.md \ No newline at end of file diff --git a/py-feos/pyproject.toml b/py-feos/pyproject.toml deleted file mode 100644 index 9ce9cb484..000000000 --- a/py-feos/pyproject.toml +++ /dev/null @@ -1,22 +0,0 @@ -[project] -name = "feos" -dynamic = [ - "version", - "description", - "readme", - "urls", - "authors", - "license", - "keywords", -] -requires-python = ">=3.10" -dependencies = [ - "si-units>=0.11.0", -] - -[build-system] -requires = ["maturin>=1.0,<2.0"] -build-backend = "maturin" - -[tool.maturin] -features = ["pyo3/extension-module", "pyo3/abi3-py310", "all_models"] diff --git a/py-feos/src/ad/mod.rs b/py-feos/src/ad/mod.rs deleted file mode 100644 index 1286f6c14..000000000 --- a/py-feos/src/ad/mod.rs +++ /dev/null @@ -1,233 +0,0 @@ -use feos::pcsaft::{PcSaftBinary, PcSaftPure}; -use feos_core::{ParametersAD, PropertiesAD}; -use numpy::{PyArray1, PyArray2, PyReadonlyArray2, ToPyArray}; -use paste::paste; -use pyo3::prelude::*; - -#[pyclass(name = "EquationOfStateAD", eq, eq_int)] -#[derive(Clone, Copy, PartialEq)] -pub enum PyEquationOfStateAD { - PcSaftNonAssoc, - PcSaftFull, -} - -enum BinaryModels { - PcSaftNonAssoc, - PcSaftFull, -} - -impl From for BinaryModels { - fn from(value: PyEquationOfStateAD) -> Self { - match value { - PyEquationOfStateAD::PcSaftNonAssoc => Self::PcSaftNonAssoc, - PyEquationOfStateAD::PcSaftFull => Self::PcSaftFull, - } - } -} - -type GradResult<'py> = ( - Bound<'py, PyArray1>, - Bound<'py, PyArray2>, - Bound<'py, PyArray1>, -); - -/// Calculate vapor pressures and derivatives w.r.t. model parameters. -/// -/// Parameters -/// ---------- -/// model: EquationOfStateAD -/// The equation of state to use. -/// parameter_names: List[string] -/// The name of the parameters for which derivatives are calculated. -/// parameters: np.ndarray[float] -/// The parameters for every data point. -/// input: np.ndarray[float] -/// The temperature (in K) for every data point. -/// -/// Returns -/// ------- -/// (np.ndarray[float], np.ndarray[float], np.ndarray[bool]): The vapor pressures (in Pa), gradients, and convergence status. -#[pyfunction] -pub fn vapor_pressure_derivatives<'py>( - model: PyEquationOfStateAD, - parameter_names: Bound<'py, PyAny>, - parameters: PyReadonlyArray2, - input: PyReadonlyArray2, -) -> GradResult<'py> { - _vapor_pressure_derivatives(model, parameter_names, parameters, input) -} - -/// Calculate liquid densities and derivatives w.r.t. model parameters. -/// -/// Parameters -/// ---------- -/// model: EquationOfStateAD -/// The equation of state to use. -/// parameter_names: List[string] -/// The name of the parameters for which derivatives are calculated. -/// parameters: np.ndarray[float] -/// The parameters for every data point. -/// input: np.ndarray[float] -/// The temperature (in K) and pressure (in Pa) for every data point. -/// -/// Returns -/// ------- -/// (np.ndarray[float], np.ndarray[float], np.ndarray[bool]): The liquid densities (in kmol/m³), gradients, and convergence status. -#[pyfunction] -pub fn liquid_density_derivatives<'py>( - model: PyEquationOfStateAD, - parameter_names: Bound<'py, PyAny>, - parameters: PyReadonlyArray2, - input: PyReadonlyArray2, -) -> GradResult<'py> { - _liquid_density_derivatives(model, parameter_names, parameters, input) -} - -/// Calculate liquid densities at saturation and derivatives w.r.t. model parameters. -/// -/// Parameters -/// ---------- -/// model: EquationOfStateAD -/// The equation of state to use. -/// parameter_names: List[string] -/// The name of the parameters for which derivatives are calculated. -/// parameters: np.ndarray[float] -/// The parameters for every data point. -/// input: np.ndarray[float] -/// The temperature (in K) for every data point. -/// -/// Returns -/// ------- -/// (np.ndarray[float], np.ndarray[float], np.ndarray[bool]): The liquid densities (in kmol/m³), gradients, and convergence status. -#[pyfunction] -pub fn equilibrium_liquid_density_derivatives<'py>( - model: PyEquationOfStateAD, - parameter_names: Bound<'py, PyAny>, - parameters: PyReadonlyArray2, - input: PyReadonlyArray2, -) -> GradResult<'py> { - _equilibrium_liquid_density_derivatives(model, parameter_names, parameters, input) -} - -/// Calculate bubble point pressures of binary mixtures and derivatives w.r.t. model parameters. -/// -/// Parameters -/// ---------- -/// model: EquationOfStateAD -/// The equation of state to use. -/// parameter_names: List[string] -/// The name of the parameters for which derivatives are calculated. -/// parameters: np.ndarray[float] -/// The parameters for every data point. -/// input: np.ndarray[float] -/// The temperature (in K), composition of the first component, and an initial guess for the -/// pressure (in Pa) for every data point. -/// -/// Returns -/// ------- -/// (np.ndarray[float], np.ndarray[float], np.ndarray[bool]): The bubble point pressures (in Pa), gradients, and convergence status. -#[pyfunction] -pub fn bubble_point_pressure_derivatives<'py>( - model: PyEquationOfStateAD, - parameter_names: Bound<'py, PyAny>, - parameters: PyReadonlyArray2, - input: PyReadonlyArray2, -) -> GradResult<'py> { - _bubble_point_pressure_derivatives(model, parameter_names, parameters, input) -} - -/// Calculate dew point pressures of binary mixtures and derivatives w.r.t. model parameters. -/// -/// Parameters -/// ---------- -/// model: EquationOfStateAD -/// The equation of state to use. -/// parameter_names: List[string] -/// The name of the parameters for which derivatives are calculated. -/// parameters: np.ndarray[float] -/// The parameters for every data point. -/// input: np.ndarray[float] -/// The temperature (in K), composition of the first component, and an initial guess for the -/// pressure (in Pa) for every data point. -/// -/// Returns -/// ------- -/// (np.ndarray[float], np.ndarray[float], np.ndarray[bool]): The dew point pressures (in Pa), gradients, and convergence status. -#[pyfunction] -pub fn dew_point_pressure_derivatives<'py>( - model: PyEquationOfStateAD, - parameter_names: Bound<'py, PyAny>, - parameters: PyReadonlyArray2, - input: PyReadonlyArray2, -) -> GradResult<'py> { - _dew_point_pressure_derivatives(model, parameter_names, parameters, input) -} - -macro_rules! expand_models { - ($enum:ty, $prop:ident, $($model:ident: $type:ty),*) => { - paste!( - #[pyfunction] - fn [<_ $prop _derivatives>]<'py>( - model: PyEquationOfStateAD, - parameter_names: Bound<'py, PyAny>, - parameters: PyReadonlyArray2, - input: PyReadonlyArray2, - ) -> GradResult<'py> { - match <$enum>::from(model) { - $( - <$enum>::$model => { - $prop::<$type>(parameter_names, parameters, input) - })* - } - }); - }; -} - -macro_rules! impl_evaluate_gradients { - (pure, [$($prop:ident),*], $models:tt) => { - $(impl_evaluate_gradients!(1,PyEquationOfStateAD,$prop,$models,0,1,2,3,4,5,max:6);)* - }; - (binary, [$($prop:ident),*], $models:tt) => { - $(impl_evaluate_gradients!(2,BinaryModels,$prop,$models,0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,max:15);)* - }; - ($n:literal, $enum:ty, $prop:ident, {$($model:ident: $type:ty),*}, $($p:literal,)* max: $max:literal) => { - expand_models!($enum, $prop, $($model: $type),*); - paste!( - fn $prop<'py, R: ParametersAD<$n>>( - parameter_names: Bound<'py, PyAny>, - parameters: PyReadonlyArray2, - input: PyReadonlyArray2, - ) -> ( - Bound<'py, PyArray1>, - Bound<'py, PyArray2>, - Bound<'py, PyArray1>, - ) { - let (value, grad, status) = - $( - if let Ok(p) = parameter_names.extract::<[String; $p]>() { - R::[<$prop _parallel>](p, parameters.as_array(), input.as_array()) - } else)* if let Ok(p) = parameter_names.extract::<[String; $max]>() { - R::[<$prop _parallel>](p, parameters.as_array(), input.as_array()) - } else { - panic!("Gradients can only be evaluated for up to {} parameters!", $max) - }; - ( - value.to_pyarray(parameter_names.py()), - grad.to_pyarray(parameter_names.py()), - status.to_pyarray(parameter_names.py()), - ) - }); - }; -} - -impl_evaluate_gradients!( - pure, - [vapor_pressure, liquid_density, equilibrium_liquid_density], - {PcSaftNonAssoc: PcSaftPure, PcSaftFull: PcSaftPure} -); - -impl_evaluate_gradients!( - binary, - [bubble_point_pressure, dew_point_pressure], - {PcSaftNonAssoc: PcSaftBinary, PcSaftFull: PcSaftBinary} -); diff --git a/py-feos/src/dft/adsorption/external_potential.rs b/py-feos/src/dft/adsorption/external_potential.rs deleted file mode 100644 index bf4d6e209..000000000 --- a/py-feos/src/dft/adsorption/external_potential.rs +++ /dev/null @@ -1,254 +0,0 @@ -use feos_dft::adsorption::ExternalPotential; -use ndarray::Array2; -use numpy::prelude::*; -use numpy::PyArray1; -use pyo3::prelude::*; -use quantity::Length; - -/// A collection of external potentials. -#[pyclass(name = "ExternalPotential")] -#[derive(Clone)] -pub struct PyExternalPotential(pub ExternalPotential); - -#[pymethods] -#[expect(non_snake_case)] -impl PyExternalPotential { - /// Hard wall potential - /// - /// .. math:: V_i^\mathrm{ext}(z)=\begin{cases}\infty&z\leq\sigma_{si}\\\\0&z>\sigma_{si}\end{cases},~~~~\sigma_{si}=\frac{1}{2}\left(\sigma_{ss}+\sigma_{ii}\right) - /// - /// Parameters - /// ---------- - /// sigma_ss : float - /// Segment diameter of the solid. - /// - /// Returns - /// ------- - /// ExternalPotential - /// - #[staticmethod] - #[expect(non_snake_case)] - pub fn HardWall(sigma_ss: f64) -> Self { - Self(ExternalPotential::HardWall { sigma_ss }) - } - - /// 9-3 Lennard-Jones potential - /// - /// .. math:: V_i^\mathrm{ext}(z)=\frac{2\pi}{45} m_i\varepsilon_{si}\sigma_{si}^3\rho_s\left(2\left(\frac{\sigma_{si}}{z}\right)^9-15\left(\frac{\sigma_{si}}{z}\right)^3\right),~~~~\varepsilon_{si}=\sqrt{\varepsilon_{ss}\varepsilon_{ii}},~~~~\sigma_{si}=\frac{1}{2}\left(\sigma_{ss}+\sigma_{ii}\right) - /// - /// Parameters - /// ---------- - /// sigma_ss : float - /// Segment diameter of the solid. - /// epsilon_k_ss : float - /// Energy parameter of the solid. - /// rho_s : float - /// Density of the solid. - /// - /// Returns - /// ------- - /// ExternalPotential - /// - #[staticmethod] - pub fn LJ93(sigma_ss: f64, epsilon_k_ss: f64, rho_s: f64) -> Self { - Self(ExternalPotential::LJ93 { - sigma_ss, - epsilon_k_ss, - rho_s, - }) - } - - /// Simple 9-3 Lennard-Jones potential - /// - /// .. math:: V_i^\mathrm{ext}(z)=\varepsilon_{si}\left(\left(\frac{\sigma_{si}}{z}\right)^9-\left(\frac{\sigma_{si}}{z}\right)^3\right),~~~~\varepsilon_{si}=\sqrt{\varepsilon_{ss}\varepsilon_{ii}},~~~~\sigma_{si}=\frac{1}{2}\left(\sigma_{ss}+\sigma_{ii}\right) - /// - /// Parameters - /// ---------- - /// sigma_ss : float - /// Segment diameter of the solid. - /// epsilon_k_ss : float - /// Energy parameter of the solid. - /// - /// Returns - /// ------- - /// ExternalPotential - /// - #[staticmethod] - pub fn SimpleLJ93(sigma_ss: f64, epsilon_k_ss: f64) -> Self { - Self(ExternalPotential::SimpleLJ93 { - sigma_ss, - epsilon_k_ss, - }) - } - - /// Custom 9-3 Lennard-Jones potential - /// - /// .. math:: V_i^\mathrm{ext}(z)=\varepsilon_{si}\left(\left(\frac{\sigma_{si}}{z}\right)^9-\left(\frac{\sigma_{si}}{z}\right)^3\right) - /// - /// Parameters - /// ---------- - /// sigma_sf : numpy.ndarray[float] - /// Solid-fluid interaction diameters. - /// epsilon_k_sf : numpy.ndarray[float] - /// Solid-fluid interaction energies. - /// - /// Returns - /// ------- - /// ExternalPotential - /// - #[staticmethod] - pub fn CustomLJ93( - sigma_sf: &Bound<'_, PyArray1>, - epsilon_k_sf: &Bound<'_, PyArray1>, - ) -> Self { - Self(ExternalPotential::CustomLJ93 { - sigma_sf: sigma_sf.to_owned_array(), - epsilon_k_sf: epsilon_k_sf.to_owned_array(), - }) - } - - /// Steele potential - /// - /// .. math:: V_i^\mathrm{ext}(z)=2\pi m_i\xi\varepsilon_{si}\sigma_{si}^2\Delta\rho_s\left(0.4\left(\frac{\sigma_{si}}{z}\right)^{10}-\left(\frac{\sigma_{si}}{z}\right)^4-\frac{\sigma_{si}^4}{3\Delta\left(z+0.61\Delta\right)^3}\right),~~~~\varepsilon_{si}=\sqrt{\varepsilon_{ss}\varepsilon_{ii}},~~~~\sigma_{si}=\frac{1}{2}\left(\sigma_{ss}+\sigma_{ii}\right),~~~~\Delta=3.35 - /// - /// Parameters - /// ---------- - /// sigma_ss : float - /// Segment diameter of the solid. - /// epsilon_k_ss : float - /// Energy parameter of the solid. - /// rho_s : float - /// Density of the solid. - /// xi : float, optional - /// Binary wall-fluid interaction parameter. - /// - /// Returns - /// ------- - /// ExternalPotential - /// - #[staticmethod] - #[pyo3(text_signature = "(sigma_ss, epsilon_k_ss, rho_s, xi=None)")] - #[pyo3(signature = (sigma_ss, epsilon_k_ss, rho_s, xi=None))] - pub fn Steele(sigma_ss: f64, epsilon_k_ss: f64, rho_s: f64, xi: Option) -> Self { - Self(ExternalPotential::Steele { - sigma_ss, - epsilon_k_ss, - rho_s, - xi, - }) - } - - /// Steele potential with custom combining rules - /// - /// .. math:: V_i^\mathrm{ext}(z)=2\pi m_i\xi\varepsilon_{si}\sigma_{si}^2\Delta\rho_s\left(0.4\left(\frac{\sigma_{si}}{z}\right)^{10}-\left(\frac{\sigma_{si}}{z}\right)^4-\frac{\sigma_{si}^4}{3\Delta\left(z+0.61\Delta\right)^3}\right),~~~~\Delta=3.35 - /// - /// Parameters - /// ---------- - /// sigma_sf : numpy.ndarray[float] - /// Solid-fluid interaction diameters. - /// epsilon_k_sf : numpy.ndarray[float] - /// Solid-fluid interaction energies. - /// rho_s : float - /// Density of the solid. - /// xi : float, optional - /// Binary wall-fluid interaction parameter. - /// - /// Returns - /// ------- - /// ExternalPotential - /// - #[staticmethod] - #[pyo3(text_signature = "(sigma_sf, epsilon_k_sf, rho_s, xi=None)")] - #[pyo3(signature = (sigma_sf, epsilon_k_sf, rho_s, xi=None))] - pub fn CustomSteele( - sigma_sf: &Bound<'_, PyArray1>, - epsilon_k_sf: &Bound<'_, PyArray1>, - rho_s: f64, - xi: Option, - ) -> Self { - Self(ExternalPotential::CustomSteele { - sigma_sf: sigma_sf.to_owned_array(), - epsilon_k_sf: epsilon_k_sf.to_owned_array(), - rho_s, - xi, - }) - } - - /// Double well potential - /// - /// .. math:: V_i^\mathrm{ext}(z)=\mathrm{min}\left(\frac{2\pi}{45} m_i\varepsilon_{2si}\sigma_{si}^3\rho_s\left(2\left(\frac{2\sigma_{si}}{z}\right)^9-15\left(\frac{2\sigma_{si}}{z}\right)^3\right),0\right)+\frac{2\pi}{45} m_i\varepsilon_{1si}\sigma_{si}^3\rho_s\left(2\left(\frac{\sigma_{si}}{z}\right)^9-15\left(\frac{\sigma_{si}}{z}\right)^3\right),~~~~\varepsilon_{1si}=\sqrt{\varepsilon_{1ss}\varepsilon_{ii}},~~~~\varepsilon_{2si}=\sqrt{\varepsilon_{2ss}\varepsilon_{ii}},~~~~\sigma_{si}=\frac{1}{2}\left(\sigma_{ss}+\sigma_{ii}\right) - /// - /// Parameters - /// ---------- - /// sigma_ss : float - /// Segment diameter of the solid. - /// epsilon1_k_ss : float - /// Energy parameter of the first well. - /// epsilon2_k_ss : float - /// Energy parameter of the second well. - /// rho_s : float - /// Density of the solid. - /// - /// Returns - /// ------- - /// ExternalPotential - /// - #[staticmethod] - pub fn DoubleWell(sigma_ss: f64, epsilon1_k_ss: f64, epsilon2_k_ss: f64, rho_s: f64) -> Self { - Self(ExternalPotential::DoubleWell { - sigma_ss, - epsilon1_k_ss, - epsilon2_k_ss, - rho_s, - }) - } - - /// Free-energy averaged potential - /// - /// for details see: `J. Eller, J. Gross (2021) `_ - /// - /// Parameters - /// ---------- - /// coordinates: SIArray2 - /// The positions of all interaction sites in the solid. - /// sigma_ss : numpy.ndarray[float] - /// The size parameters of all interaction sites. - /// epsilon_k_ss : numpy.ndarray[float] - /// The energy parameter of all interaction sites. - /// pore_center : [SINumber; 3] - /// The cartesian coordinates of the center of the pore - /// system_size : [SINumber; 3] - /// The size of the unit cell. - /// n_grid : [int; 2] - /// The number of grid points in each direction. - /// cutoff_radius : float, optional - /// The cutoff used in the calculation of fluid/wall interactions. - /// Returns - /// ------- - /// ExternalPotential - /// - #[staticmethod] - #[pyo3( - text_signature = "(coordinates, sigma_ss, epsilon_k_ss, pore_center, system_size, n_grid, cutoff_radius=None)", - signature = (coordinates, sigma_ss, epsilon_k_ss, pore_center, system_size, n_grid, cutoff_radius=None) - )] - pub fn FreeEnergyAveraged( - coordinates: Length>, - sigma_ss: &Bound<'_, PyArray1>, - epsilon_k_ss: &Bound<'_, PyArray1>, - pore_center: [f64; 3], - system_size: [Length; 3], - n_grid: [usize; 2], - cutoff_radius: Option, - ) -> Self { - Self(ExternalPotential::FreeEnergyAveraged { - coordinates, - sigma_ss: sigma_ss.to_owned_array(), - epsilon_k_ss: epsilon_k_ss.to_owned_array(), - pore_center, - system_size, - n_grid, - cutoff_radius, - }) - } -} diff --git a/py-feos/src/dft/adsorption/mod.rs b/py-feos/src/dft/adsorption/mod.rs deleted file mode 100644 index 1f006be0a..000000000 --- a/py-feos/src/dft/adsorption/mod.rs +++ /dev/null @@ -1,273 +0,0 @@ -use super::PyDFTSolver; -use crate::eos::{parse_molefracs, PyEquationOfState}; -use crate::error::PyFeosError; -use crate::ideal_gas::IdealGasModel; -use crate::residual::ResidualModel; -use crate::PyVerbosity; -use feos_core::EquationOfState; -use feos_dft::adsorption::{Adsorption, Adsorption1D, Adsorption3D}; -use nalgebra::DMatrix; -use ndarray::*; -use numpy::*; -use pyo3::prelude::*; -use quantity::*; -use std::sync::Arc; - -mod external_potential; -mod pore; - -pub use external_potential::PyExternalPotential; -pub use pore::{PyPore1D, PyPore2D, PyPore3D, PyPoreProfile1D, PyPoreProfile3D}; - -/// Container structure for adsorption isotherms in 1D pores. -#[pyclass(name = "Adsorption1D")] -pub struct PyAdsorption1D(Adsorption1D, ResidualModel>>>); - -/// Container structure for adsorption isotherms in 3D pores. -#[pyclass(name = "Adsorption3D")] -pub struct PyAdsorption3D(Adsorption3D, ResidualModel>>>); - -macro_rules! impl_adsorption_isotherm { - ($py_adsorption:ty, $py_pore:ty, $py_pore_profile:ident) => { - #[pymethods] - impl $py_adsorption { - /// Calculate an adsorption isotherm for the given pressure range. - /// The profiles are evaluated starting from the lowest pressure. - /// The resulting density profiles can be metastable. - /// - /// Parameters - /// ---------- - /// functional : HelmholtzEnergyFunctional - /// The Helmholtz energy functional. - /// temperature : SINumber - /// The temperature. - /// pressure : SIArray1 - /// The pressures for which the profiles are calculated. - /// pore : Pore - /// The pore parameters. - /// molefracs: numpy.ndarray[float], optional - /// For a mixture, the molefracs of the bulk system. - /// solver: DFTSolver, optional - /// Custom solver options. - /// - /// Returns - /// ------- - /// Adsorption - /// - #[staticmethod] - #[pyo3(text_signature = "(functional, temperature, pressure, pore, molefracs=None, solver=None)")] - #[pyo3(signature = (functional, temperature, pressure, pore, molefracs=None, solver=None))] - fn adsorption_isotherm( - functional: &PyEquationOfState, - temperature: Temperature, - pressure: Pressure>, - pore: &$py_pore, - molefracs: Option>, - solver: Option, - ) -> PyResult { - Ok(Self(Adsorption::adsorption_isotherm( - &functional.0, - temperature, - &pressure, - &pore.0, - &parse_molefracs(molefracs), - solver.map(|s| s.0).as_ref(), - ).map_err(PyFeosError::from)?)) - } - - /// Calculate a desorption isotherm for the given pressure range. - /// The profiles are evaluated starting from the highest pressure. - /// The resulting density profiles can be metastable. - /// - /// Parameters - /// ---------- - /// functional : HelmholtzEnergyFunctional - /// The Helmholtz energy functional. - /// temperature : SINumber - /// The temperature. - /// pressure : SIArray1 - /// The pressures for which the profiles are calculated. - /// pore : Pore - /// The pore parameters. - /// molefracs: numpy.ndarray[float], optional - /// For a mixture, the molefracs of the bulk system. - /// solver: DFTSolver, optional - /// Custom solver options. - /// - /// Returns - /// ------- - /// Adsorption - /// - #[staticmethod] - #[pyo3(text_signature = "(functional, temperature, pressure, pore, molefracs=None, solver=None)")] - #[pyo3(signature = (functional, temperature, pressure, pore, molefracs=None, solver=None))] - fn desorption_isotherm( - functional: &PyEquationOfState, - temperature: Temperature, - pressure: Pressure>, - pore: &$py_pore, - molefracs: Option>, - solver: Option, - ) -> PyResult { - Ok(Self(Adsorption::desorption_isotherm( - &functional.0, - temperature, - &pressure, - &pore.0, - &parse_molefracs(molefracs), - solver.map(|s| s.0).as_ref(), - ).map_err(PyFeosError::from)?)) - } - - /// Calculate an equilibrium isotherm for the given pressure range. - /// A phase equilibrium in the pore is calculated to determine the - /// stable phases for every pressure. If no phase equilibrium can be - /// calculated, the isotherm is calculated twice, one in the adsorption - /// direction and once in the desorption direction to determine the - /// stability of the profiles. - /// - /// Parameters - /// ---------- - /// functional : HelmholtzEnergyFunctional - /// The Helmholtz energy functional. - /// temperature : SINumber - /// The temperature. - /// pressure : SIArray1 - /// The pressures for which the profiles are calculated. - /// pore : Pore - /// The pore parameters. - /// molefracs: numpy.ndarray[float], optional - /// For a mixture, the molefracs of the bulk system. - /// solver: DFTSolver, optional - /// Custom solver options. - /// - /// Returns - /// ------- - /// Adsorption - /// - #[staticmethod] - #[pyo3(text_signature = "(functional, temperature, pressure, pore, molefracs=None, solver=None)")] - #[pyo3(signature = (functional, temperature, pressure, pore, molefracs=None, solver=None))] - fn equilibrium_isotherm( - functional: &PyEquationOfState, - temperature: Temperature, - pressure: Pressure>, - pore: &$py_pore, - molefracs: Option>, - solver: Option, - ) -> PyResult { - Ok(Self(Adsorption::equilibrium_isotherm( - &functional.0, - temperature, - &pressure, - &pore.0, - &parse_molefracs(molefracs), - solver.map(|s| s.0).as_ref(), - ).map_err(PyFeosError::from)?)) - } - - /// Calculate a phase equilibrium in a pore. - /// - /// Parameters - /// ---------- - /// functional : HelmholtzEnergyFunctional - /// The Helmholtz energy functional. - /// temperature : SINumber - /// The temperature. - /// p_min : SINumber - /// A suitable lower limit for the pressure. - /// p_max : SINumber - /// A suitable upper limit for the pressure. - /// pore : Pore - /// The pore parameters. - /// molefracs: numpy.ndarray[float], optional - /// For a mixture, the molefracs of the bulk system. - /// solver: DFTSolver, optional - /// Custom solver options. - /// max_iter : int, optional - /// The maximum number of iterations of the phase equilibrium calculation. - /// tol: float, optional - /// The tolerance of the phase equilibrium calculation. - /// verbosity: Verbosity, optional - /// The verbosity of the phase equilibrium calculation. - /// - /// Returns - /// ------- - /// Adsorption - /// - #[staticmethod] - #[pyo3(text_signature = "(functional, temperature, p_min, p_max, pore, molefracs=None, solver=None, max_iter=None, tol=None, verbosity=None)")] - #[pyo3(signature = (functional, temperature, p_min, p_max, pore, molefracs=None, solver=None, max_iter=None, tol=None, verbosity=None))] - #[expect(clippy::too_many_arguments)] - fn phase_equilibrium( - functional: &PyEquationOfState, - temperature: Temperature, - p_min: Pressure, - p_max: Pressure, - pore: &$py_pore, - molefracs: Option>, - solver: Option, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult { - Ok(Self(Adsorption::phase_equilibrium( - &functional.0, - temperature, - p_min, - p_max, - &pore.0, - &parse_molefracs(molefracs), - solver.map(|s| s.0).as_ref(), - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ).map_err(PyFeosError::from)?)) - } - - #[getter] - fn get_profiles(&self) -> Vec<$py_pore_profile> { - self.0 - .profiles - .iter() - .filter_map(|p| { - p.as_ref() - .ok() - .map(|p| $py_pore_profile(p.clone())) - }) - .collect() - } - - #[getter] - fn get_pressure(&self) -> Pressure> { - self.0.pressure() - } - - #[getter] - fn get_adsorption(&self) -> Moles> { - self.0.adsorption() - } - - #[getter] - fn get_total_adsorption(&self) -> Moles> { - self.0.total_adsorption() - } - - #[getter] - fn get_grand_potential(&mut self) -> Energy> { - self.0.grand_potential() - } - - #[getter] - fn get_partial_molar_enthalpy_of_adsorption(&self) -> MolarEnergy> { - self.0.partial_molar_enthalpy_of_adsorption() - } - - #[getter] - fn get_enthalpy_of_adsorption(&self) -> MolarEnergy> { - self.0.enthalpy_of_adsorption() - } - } - }; -} - -impl_adsorption_isotherm!(PyAdsorption1D, PyPore1D, PyPoreProfile1D); -impl_adsorption_isotherm!(PyAdsorption3D, PyPore3D, PyPoreProfile3D); diff --git a/py-feos/src/dft/adsorption/pore.rs b/py-feos/src/dft/adsorption/pore.rs deleted file mode 100644 index dc2cde9f9..000000000 --- a/py-feos/src/dft/adsorption/pore.rs +++ /dev/null @@ -1,350 +0,0 @@ -use super::PyExternalPotential; -use crate::dft::profile::*; -use crate::dft::{PyDFTSolver, PyDFTSolverLog, PyGeometry}; -use crate::error::PyFeosError; -use crate::ideal_gas::IdealGasModel; -use crate::residual::ResidualModel; -use crate::state::{PyContributions, PyState}; -use feos_core::{EquationOfState, ReferenceSystem}; -use feos_dft::adsorption::*; -use nalgebra::{DMatrix, DVector}; -use ndarray::*; -use numpy::*; -use pyo3::prelude::*; -use quantity::*; -use std::sync::Arc; - -macro_rules! impl_pore_profile { - ($py_profile:ty) => { - #[pymethods] - impl $py_profile { - #[getter] - fn get_grand_potential(&self) -> Option { - self.0.grand_potential - } - - #[getter] - fn get_interfacial_tension(&self) -> Option { - self.0.interfacial_tension - } - - #[getter] - fn get_partial_molar_enthalpy_of_adsorption( - &self, - ) -> PyResult>> { - Ok(self - .0 - .partial_molar_enthalpy_of_adsorption() - .map_err(PyFeosError::from)?) - } - - #[getter] - fn get_enthalpy_of_adsorption(&self) -> PyResult { - Ok(self.0.enthalpy_of_adsorption().map_err(PyFeosError::from)?) - } - - #[getter] - fn get_henry_coefficients(&self) -> HenryCoefficient> { - self.0.henry_coefficients() - } - - #[getter] - fn get_ideal_gas_enthalpy_of_adsorption(&self) -> MolarEnergy> { - self.0.ideal_gas_enthalpy_of_adsorption() - } - } - }; -} - -/// Parameters required to specify a 1D pore. -/// -/// Parameters -/// ---------- -/// geometry : Geometry -/// The pore geometry. -/// pore_size : SINumber -/// The width of the slit pore in cartesian coordinates, -/// or the pore radius in spherical and cylindrical coordinates. -/// potential : ExternalPotential -/// The potential used to model wall-fluid interactions. -/// n_grid : int, optional -/// The number of grid points. -/// potential_cutoff : float, optional -/// Maximum value for the external potential. -/// -/// Returns -/// ------- -/// Pore1D -/// -#[pyclass(name = "Pore1D")] -pub struct PyPore1D(pub Pore1D); - -#[pyclass(name = "PoreProfile1D")] -pub struct PyPoreProfile1D( - pub PoreProfile1D, ResidualModel>>>, -); - -impl_1d_profile!(PyPoreProfile1D, [get_r, get_z]); -impl_pore_profile!(PyPoreProfile1D); - -#[pymethods] -impl PyPore1D { - #[new] - #[pyo3(text_signature = "(geometry, pore_size, potential, n_grid=None, potential_cutoff=None)")] - #[pyo3(signature = (geometry, pore_size, potential, n_grid=None, potential_cutoff=None))] - fn new( - geometry: PyGeometry, - pore_size: Length, - potential: PyExternalPotential, - n_grid: Option, - potential_cutoff: Option, - ) -> PyResult { - Ok(Self(Pore1D::new( - geometry.into(), - pore_size, - potential.0, - n_grid, - potential_cutoff, - ))) - } - - /// Initialize the pore for the given bulk state. - /// - /// Parameters - /// ---------- - /// bulk : State - /// The bulk state in equilibrium with the pore. - /// density : SIArray2, optional - /// Initial values for the density profile. - /// external_potential : numpy.ndarray[float], optional - /// The external potential in the pore. Used to - /// save computation time in the case of costly - /// evaluations of external potentials. - /// - /// Returns - /// ------- - /// PoreProfile1D - #[pyo3(text_signature = "($self, bulk, density=None, external_potential=None)")] - #[pyo3(signature = (bulk, density=None, external_potential=None))] - fn initialize( - &self, - bulk: &PyState, - density: Option>>, - external_potential: Option<&Bound<'_, PyArray2>>, - ) -> PyResult { - Ok(PyPoreProfile1D( - self.0 - .initialize( - &bulk.0, - density.as_ref(), - external_potential.map(|e| e.to_owned_array()).as_ref(), - ) - .map_err(PyFeosError::from)?, - )) - } - - #[getter] - fn get_geometry(&self) -> PyGeometry { - self.0.geometry.into() - } - - #[getter] - fn get_pore_size(&self) -> Length { - self.0.pore_size - } - - #[getter] - fn get_potential(&self) -> PyExternalPotential { - PyExternalPotential(self.0.potential.clone()) - } - - #[getter] - fn get_n_grid(&self) -> Option { - self.0.n_grid - } - - #[getter] - fn get_potential_cutoff(&self) -> Option { - self.0.potential_cutoff - } - - /// The pore volume using Helium at 298 K as reference. - #[getter] - fn get_pore_volume(&self) -> PyResult { - Ok(self.0.pore_volume().map_err(PyFeosError::from)?) - } -} - -#[pyclass(name = "Pore2D")] -pub struct PyPore2D(pub Pore2D); - -#[pyclass(name = "PoreProfile2D")] -pub struct PyPoreProfile2D( - pub PoreProfile2D, ResidualModel>>>, -); - -impl_2d_profile!(PyPoreProfile2D, get_x, get_y); -impl_pore_profile!(PyPoreProfile2D); - -#[pymethods] -impl PyPore2D { - #[new] - #[pyo3(text_signature = "(system_size, angle, n_grid)")] - fn new(system_size: [Length; 2], angle: Angle, n_grid: [usize; 2]) -> PyResult { - Ok(Self(Pore2D::new( - [system_size[0], system_size[1]], - angle, - n_grid, - ))) - } - - /// Initialize the pore for the given bulk state. - /// - /// Parameters - /// ---------- - /// bulk : State - /// The bulk state in equilibrium with the pore. - /// density : SIArray3, optional - /// Initial values for the density profile. - /// external_potential : numpy.ndarray[float], optional - /// The external potential in the pore. Used to - /// save computation time in the case of costly - /// evaluations of external potentials. - /// - /// Returns - /// ------- - /// PoreProfile2D - #[pyo3(text_signature = "($self, bulk, density=None, external_potential=None)")] - #[pyo3(signature = (bulk, density=None, external_potential=None))] - fn initialize( - &self, - bulk: &PyState, - density: Option>>, - external_potential: Option<&Bound<'_, PyArray3>>, - ) -> PyResult { - Ok(PyPoreProfile2D( - self.0 - .initialize( - &bulk.0, - density.as_ref(), - external_potential.map(|e| e.to_owned_array()).as_ref(), - ) - .map_err(PyFeosError::from)?, - )) - } - - /// The pore volume using Helium at 298 K as reference. - #[getter] - fn get_pore_volume(&self) -> PyResult { - Ok(self.0.pore_volume().map_err(PyFeosError::from)?) - } -} - -/// Parameters required to specify a 3D pore. -/// -/// Parameters -/// ---------- -/// system_size : [SINumber; 3] -/// The size of the unit cell. -/// n_grid : [int; 3] -/// The number of grid points in each direction. -/// coordinates : numpy.ndarray[float] -/// The positions of all interaction sites in the solid. -/// sigma_ss : numpy.ndarray[float] -/// The size parameters of all interaction sites. -/// epsilon_k_ss : numpy.ndarray[float] -/// The energy parameter of all interaction sites. -/// angles : [Angle; 3], optional -/// The angles of the unit cell or `None` if the unit cell -/// is orthorombic -/// potential_cutoff: float, optional -/// Maximum value for the external potential. -/// cutoff_radius: SINumber, optional -/// The cutoff radius for the calculation of solid-fluid interactions. -/// -/// Returns -/// ------- -/// Pore3D -/// -#[pyclass(name = "Pore3D")] -pub struct PyPore3D(pub Pore3D); - -#[pyclass(name = "PoreProfile3D")] -pub struct PyPoreProfile3D( - pub PoreProfile3D, ResidualModel>>>, -); - -impl_3d_profile!(PyPoreProfile3D, get_x, get_y, get_z); -impl_pore_profile!(PyPoreProfile3D); - -#[pymethods] -impl PyPore3D { - #[new] - #[pyo3( - text_signature = "(system_size, n_grid, coordinates, sigma_ss, epsilon_k_ss, angles=None, potential_cutoff=None, cutoff_radius=None)" - )] - #[pyo3(signature = (system_size, n_grid, coordinates, sigma_ss, epsilon_k_ss, angles=None, potential_cutoff=None, cutoff_radius=None))] - #[expect(clippy::too_many_arguments)] - fn new( - system_size: [Length; 3], - n_grid: [usize; 3], - coordinates: Length>, - sigma_ss: &Bound<'_, PyArray1>, - epsilon_k_ss: &Bound<'_, PyArray1>, - angles: Option<[Angle; 3]>, - potential_cutoff: Option, - cutoff_radius: Option, - ) -> Self { - Self(Pore3D::new( - system_size, - n_grid, - coordinates, - sigma_ss.to_owned_array(), - epsilon_k_ss.to_owned_array(), - angles, - potential_cutoff, - cutoff_radius, - )) - } - - /// Initialize the pore for the given bulk state. - /// - /// Parameters - /// ---------- - /// bulk : State - /// The bulk state in equilibrium with the pore. - /// density : SIArray4, optional - /// Initial values for the density profile. - /// external_potential : numpy.ndarray[float], optional - /// The external potential in the pore. Used to - /// save computation time in the case of costly - /// evaluations of external potentials. - /// - /// Returns - /// ------- - /// PoreProfile3D - #[pyo3(text_signature = "($self, bulk, density=None, external_potential=None)")] - #[pyo3(signature = (bulk, density=None, external_potential=None))] - fn initialize( - &self, - bulk: &PyState, - density: Option>>, - external_potential: Option<&Bound<'_, PyArray4>>, - ) -> PyResult { - Ok(PyPoreProfile3D( - self.0 - .initialize( - &bulk.0, - density.as_ref(), - external_potential.map(|e| e.to_owned_array()).as_ref(), - ) - .map_err(PyFeosError::from)?, - )) - } - - /// The pore volume using Helium at 298 K as reference. - #[getter] - fn get_pore_volume(&self) -> PyResult { - Ok(self.0.pore_volume().map_err(PyFeosError::from)?) - } -} diff --git a/py-feos/src/dft/interface/mod.rs b/py-feos/src/dft/interface/mod.rs deleted file mode 100644 index aae76c75c..000000000 --- a/py-feos/src/dft/interface/mod.rs +++ /dev/null @@ -1,182 +0,0 @@ -use super::profile::{impl_1d_profile, impl_profile}; -use super::{PyDFTSolver, PyDFTSolverLog}; -use crate::error::PyFeosError; -use crate::ideal_gas::IdealGasModel; -use crate::phase_equilibria::PyPhaseEquilibrium; -use crate::residual::ResidualModel; -use crate::state::{PyContributions, PyState}; -use feos_core::{EquationOfState, ReferenceSystem}; -use feos_dft::interface::PlanarInterface; -use nalgebra::{DMatrix, DVector}; -use ndarray::*; -use numpy::*; -use pyo3::*; -use quantity::*; -use std::sync::Arc; - -mod surface_tension_diagram; -pub use surface_tension_diagram::PySurfaceTensionDiagram; - -/// A one-dimensional density profile of a vapor-liquid or liquid-liquid interface. -#[pyclass(name = "PlanarInterface")] -pub struct PyPlanarInterface( - PlanarInterface, ResidualModel>>>, -); - -impl_1d_profile!(PyPlanarInterface, [get_z]); - -#[pymethods] -impl PyPlanarInterface { - /// Initialize a planar interface with a hyperbolic tangent. - /// - /// Parameters - /// ---------- - /// vle : PhaseEquilibrium - /// The bulk phase equilibrium. - /// n_grid : int - /// The number of grid points. - /// l_grid: SINumber - /// The width of the calculation domain. - /// critical_temperature: SINumber - /// An estimate for the critical temperature of the system. - /// Used to guess the width of the interface. - /// fix_equimolar_surface: bool, optional - /// If True use additional constraints to fix the - /// equimolar surface of the system. - /// Defaults to False. - /// - /// Returns - /// ------- - /// PlanarInterface - /// - #[staticmethod] - #[pyo3( - text_signature = "(vle, n_grid, l_grid, critical_temperature, fix_equimolar_surface=None)" - )] - #[pyo3(signature = (vle, n_grid, l_grid, critical_temperature, fix_equimolar_surface=None))] - fn from_tanh( - vle: &PyPhaseEquilibrium, - n_grid: usize, - l_grid: Length, - critical_temperature: Temperature, - fix_equimolar_surface: Option, - ) -> Self { - let profile = PlanarInterface::from_tanh( - &vle.0, - n_grid, - l_grid, - critical_temperature, - fix_equimolar_surface.unwrap_or(false), - ); - PyPlanarInterface(profile) - } - - /// Initialize a planar interface with a pDGT calculation. - /// - /// Parameters - /// ---------- - /// vle : PhaseEquilibrium - /// The bulk phase equilibrium. - /// n_grid : int - /// The number of grid points. - /// fix_equimolar_surface: bool, optional - /// If True use additional constraints to fix the - /// equimolar surface of the system. - /// Defaults to False. - /// - /// Returns - /// ------- - /// PlanarInterface - /// - #[staticmethod] - #[pyo3(text_signature = "(vle, n_grid, fix_equimolar_surface=None)")] - #[pyo3(signature = (vle, n_grid, fix_equimolar_surface=None))] - fn from_pdgt( - vle: &PyPhaseEquilibrium, - n_grid: usize, - fix_equimolar_surface: Option, - ) -> PyResult { - let profile = - PlanarInterface::from_pdgt(&vle.0, n_grid, fix_equimolar_surface.unwrap_or(false)) - .map_err(PyFeosError::from)?; - Ok(PyPlanarInterface(profile)) - } - - /// Initialize a planar interface with a provided density profile. - /// - /// Parameters - /// ---------- - /// vle : PhaseEquilibrium - /// The bulk phase equilibrium. - /// n_grid : int - /// The number of grid points. - /// l_grid: SINumber - /// The width of the calculation domain. - /// density_profile: SIArray2 - /// Initial condition for the density profile iterations - /// - /// Returns - /// ------- - /// PlanarInterface - /// - #[staticmethod] - fn from_density_profile( - vle: &PyPhaseEquilibrium, - n_grid: usize, - l_grid: Length, - density_profile: Density>, - ) -> Self { - let mut profile = PlanarInterface::new(&vle.0, n_grid, l_grid); - profile.profile.density = density_profile; - PyPlanarInterface(profile) - } -} - -#[pymethods] -impl PyPlanarInterface { - #[getter] - fn get_surface_tension(&mut self) -> Option { - self.0.surface_tension - } - - #[getter] - fn get_equimolar_radius(&mut self) -> Option { - self.0.equimolar_radius - } - - #[getter] - fn get_vle(&self) -> PyPhaseEquilibrium { - PyPhaseEquilibrium(self.0.vle.clone()) - } - - /// Calculates the Gibbs relative adsorption of component i with - /// respect to j: \Gamma_i^(j) - /// - /// Returns - /// ------- - /// SIArray2 - /// - fn relative_adsorption(&self) -> Moles> { - self.0.relative_adsorption() - } - - /// Calculates the interfacial enrichment E_i. - /// - /// Returns - /// ------- - /// numpy.ndarray - /// - fn interfacial_enrichment<'py>(&self, py: Python<'py>) -> Bound<'py, PyArray1> { - self.0.interfacial_enrichment().to_pyarray(py) - } - - /// Calculates the interfacial thickness (90-10 number density difference) - /// - /// Returns - /// ------- - /// SINumber - /// - fn interfacial_thickness(&self) -> PyResult { - Ok(self.0.interfacial_thickness().map_err(PyFeosError::from)?) - } -} diff --git a/py-feos/src/dft/interface/surface_tension_diagram.rs b/py-feos/src/dft/interface/surface_tension_diagram.rs deleted file mode 100644 index e8a12461e..000000000 --- a/py-feos/src/dft/interface/surface_tension_diagram.rs +++ /dev/null @@ -1,120 +0,0 @@ -use super::PyPlanarInterface; -use crate::dft::PyDFTSolver; -use crate::phase_equilibria::PyPhaseEquilibrium; -use crate::state::PyStateVec; -use crate::{ideal_gas::IdealGasModel, residual::ResidualModel}; -use feos_core::EquationOfState; -use feos_dft::interface::SurfaceTensionDiagram; -use ndarray::*; -use numpy::*; -use pyo3::*; -use quantity::*; -use std::sync::Arc; - -/// Container structure for the efficient calculation of surface tension diagrams. -/// -/// Parameters -/// ---------- -/// dia : [PhaseEquilibrium] -/// The underlying phase diagram given as a list of states -/// for which surface tensions shall be calculated. -/// init_densities : bool, optional -/// None: Do not initialize densities with old results -/// True: Initialize and scale densities -/// False: Initialize without scaling -/// n_grid : int, optional -/// The number of grid points (default: 2048). -/// l_grid : SINumber, optional -/// The size of the calculation domain (default: 100 A) -/// critical_temperature: SINumber, optional -/// An estimate for the critical temperature, used to initialize -/// density profile (default: 500 K) -/// fix_equimolar_surface: bool, optional -/// If True use additional constraints to fix the -/// equimolar surface of the system. -/// Defaults to False. -/// solver: DFTSolver, optional -/// Custom solver options -/// -/// Returns -/// ------- -/// SurfaceTensionDiagram -#[pyclass(name = "SurfaceTensionDiagram")] -pub struct PySurfaceTensionDiagram( - SurfaceTensionDiagram, ResidualModel>>>, -); - -#[pymethods] -impl PySurfaceTensionDiagram { - #[new] - #[pyo3( - text_signature = "(dia, init_densities=None, n_grid=None, l_grid=None, critical_temperature=None, fix_equimolar_surface=None, solver=None)" - )] - #[pyo3(signature = (dia, init_densities=None, n_grid=None, l_grid=None, critical_temperature=None, fix_equimolar_surface=None, solver=None))] - pub fn isotherm( - dia: Vec, - init_densities: Option, - n_grid: Option, - l_grid: Option, - critical_temperature: Option, - fix_equimolar_surface: Option, - solver: Option, - ) -> PyResult { - let x: Vec<_> = dia.into_iter().map(|vle| vle.0).collect(); - Ok(Self(SurfaceTensionDiagram::new( - &x, - init_densities, - n_grid, - l_grid, - critical_temperature, - fix_equimolar_surface, - solver.map(|s| s.0).as_ref(), - ))) - } - - #[getter] - fn get_profiles(&self) -> Vec { - self.0 - .profiles - .iter() - .map(|p| PyPlanarInterface(p.clone())) - .collect() - } - - #[getter] - pub fn get_vapor(&self) -> PyStateVec { - self.0.vapor().into() - } - - #[getter] - pub fn get_liquid(&self) -> PyStateVec { - self.0.liquid().into() - } - - #[getter] - pub fn get_surface_tension(&mut self) -> SurfaceTension> { - self.0.surface_tension() - } - - #[getter] - pub fn get_relative_adsorption(&self) -> Vec>> { - self.0.relative_adsorption() - } - - #[getter] - pub fn get_interfacial_enrichment<'py>( - &self, - py: Python<'py>, - ) -> Vec>> { - self.0 - .interfacial_enrichment() - .iter() - .map(|i| i.to_pyarray(py)) - .collect() - } - - #[getter] - pub fn interfacial_thickness(&self) -> Length> { - self.0.interfacial_thickness() - } -} diff --git a/py-feos/src/dft/mod.rs b/py-feos/src/dft/mod.rs deleted file mode 100644 index 5986ee0d0..000000000 --- a/py-feos/src/dft/mod.rs +++ /dev/null @@ -1,137 +0,0 @@ -use crate::eos::{parse_molefracs, PyEquationOfState}; -use crate::ideal_gas::IdealGasModel; -use crate::residual::ResidualModel; -use feos::hard_sphere::{FMTFunctional, FMTVersion}; -use feos_core::{EquationOfState, ResidualDyn}; -use feos_dft::Geometry; -use numpy::PyReadonlyArray1; -use pyo3::prelude::*; -use pyo3::pyclass; -use std::sync::Arc; - -mod adsorption; -mod interface; -mod profile; -mod solvation; -mod solver; - -pub(crate) use adsorption::{ - PyAdsorption1D, PyAdsorption3D, PyExternalPotential, PyPore1D, PyPore2D, PyPore3D, -}; -pub(crate) use interface::{PyPlanarInterface, PySurfaceTensionDiagram}; -pub(crate) use solvation::{PyPairCorrelation, PySolvationProfile}; -pub(crate) use solver::{PyDFTSolver, PyDFTSolverLog}; - -/// Geometries of individual axes. -#[derive(Clone, Copy, PartialEq)] -#[pyclass(name = "Geometry", eq, eq_int)] -pub enum PyGeometry { - Cartesian, - Cylindrical, - Spherical, -} - -impl From for PyGeometry { - fn from(geometry: Geometry) -> Self { - match geometry { - Geometry::Cartesian => PyGeometry::Cartesian, - Geometry::Cylindrical => PyGeometry::Cylindrical, - Geometry::Spherical => PyGeometry::Spherical, - } - } -} - -impl From for Geometry { - fn from(geometry: PyGeometry) -> Self { - match geometry { - PyGeometry::Cartesian => Geometry::Cartesian, - PyGeometry::Cylindrical => Geometry::Cylindrical, - PyGeometry::Spherical => Geometry::Spherical, - } - } -} - -/// Different versions of fundamental measure theory. -#[derive(Clone, Copy, PartialEq)] -#[pyclass(name = "FMTVersion", eq, eq_int)] -pub enum PyFMTVersion { - /// White Bear ([Roth et al., 2002](https://doi.org/10.1088/0953-8984/14/46/313)) or modified ([Yu and Wu, 2002](https://doi.org/10.1063/1.1520530)) fundamental measure theory - WhiteBear, - /// Scalar fundamental measure theory by [Kierlik and Rosinberg, 1990](https://doi.org/10.1103/PhysRevA.42.3382) - KierlikRosinberg, - /// Anti-symmetric White Bear fundamental measure theory ([Rosenfeld et al., 1997](https://doi.org/10.1103/PhysRevE.55.4245)) and SI of ([Kessler et al., 2021](https://doi.org/10.1016/j.micromeso.2021.111263)) - AntiSymWhiteBear, -} - -impl From for PyFMTVersion { - fn from(fmt_version: FMTVersion) -> Self { - match fmt_version { - FMTVersion::WhiteBear => PyFMTVersion::WhiteBear, - FMTVersion::KierlikRosinberg => PyFMTVersion::KierlikRosinberg, - FMTVersion::AntiSymWhiteBear => PyFMTVersion::AntiSymWhiteBear, - } - } -} - -impl From for FMTVersion { - fn from(fmt_version: PyFMTVersion) -> Self { - match fmt_version { - PyFMTVersion::WhiteBear => FMTVersion::WhiteBear, - PyFMTVersion::KierlikRosinberg => FMTVersion::KierlikRosinberg, - PyFMTVersion::AntiSymWhiteBear => FMTVersion::AntiSymWhiteBear, - } - } -} - -/// Collection of Helmholtz energy functionals. -#[pyclass(name = "HelmholtzEnergyFunctional")] -#[derive(Clone)] -pub struct PyHelmholtzEnergyFunctional; - -#[pymethods] -impl PyHelmholtzEnergyFunctional { - /// Helmholtz energy functional for hard sphere systems. - /// - /// Parameters - /// ---------- - /// sigma : numpy.ndarray[float] - /// The diameters of the hard spheres in Angstrom. - /// fmt_version : FMTVersion - /// The specific variant of the FMT term. - /// - /// Returns - /// ------- - /// HelmholtzEnergyFunctional - #[staticmethod] - fn fmt(sigma: PyReadonlyArray1, fmt_version: PyFMTVersion) -> PyResult { - let func = ResidualModel::FmtFunctional(FMTFunctional::new( - parse_molefracs(Some(sigma)).unwrap(), - fmt_version.into(), - )); - let ideal_gas = vec![IdealGasModel::NoModel; func.components()]; - Ok(PyEquationOfState(Arc::new(EquationOfState::new( - ideal_gas, func, - )))) - } -} - -// #[pymodule] -// pub fn dft(m: &Bound<'_, PyModule>) -> PyResult<()> { -// m.add_class::()?; -// m.add_class::()?; - -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; - -// Ok(()) -// } diff --git a/py-feos/src/dft/profile.rs b/py-feos/src/dft/profile.rs deleted file mode 100644 index 20fd4ed19..000000000 --- a/py-feos/src/dft/profile.rs +++ /dev/null @@ -1,271 +0,0 @@ -macro_rules! impl_profile { - ($struct:ident, $arr:ident, $arr2:ident, $si_arr:ident, $si_arr2:ident, $py_arr2:ident, [$([$ind:expr, $ax:ident]),+]$(, $si_arr3:ident)?) => { - #[pymethods] - impl $struct { - /// Calculate the residual for the given profile. - /// - /// Parameters - /// ---------- - /// log: bool, optional - /// calculate the logarithmic residual (default: False). - /// - /// Returns - /// ------- - /// (numpy.ndarray[float], numpy.ndarray[float]) - /// - #[pyo3(signature = (log=false), text_signature = "($self, log=False)")] - fn residual<'py>( - &self, - log: bool, - py: Python<'py>, - ) -> PyResult<(Bound<'py, $arr2>, Bound<'py, PyArray1>, f64)> { - let (res_rho, res_mu, res_norm) = self.0.profile.residual(log).map_err(PyFeosError::from)?; - Ok((res_rho.view().to_pyarray(py), res_mu.view().to_pyarray(py), res_norm)) - } - - /// Solve the profile in-place. A non-default solver can be provided - /// optionally. - /// - /// Parameters - /// ---------- - /// solver : DFTSolver, optional - /// The solver used to solve the profile. - /// debug: bool, optional - /// If True, do not check for convergence. - /// - /// Returns - /// ------- - /// $struct - /// - #[pyo3(signature = (solver=None, debug=false), text_signature = "($self, solver=None, debug=False)")] - fn solve(slf: Bound<'_, Self>, solver: Option, debug: bool) -> PyResult> { - slf.borrow_mut() - .0 - .solve_inplace(solver.map(|s| s.0).as_ref(), debug).map_err(PyFeosError::from)?; - Ok(slf) - } - - $( - #[getter] - fn $ax(&self) -> Length> { - Length::from_reduced(self.0.profile.grid.grids()[$ind].clone()) - })+ - - #[getter] - fn get_temperature(&self) -> Temperature { - self.0.profile.temperature - } - - #[getter] - fn get_density(&self) -> Density<$si_arr2> { - self.0.profile.density.clone() - } - - #[getter] - fn get_moles(&self) -> Moles> { - self.0.profile.moles() - } - - #[getter] - fn get_total_moles(&self) -> Moles { - self.0.profile.total_moles() - } - - #[getter] - fn get_external_potential<'py>(&self, py: Python<'py>) -> Bound<'py, $py_arr2> { - self.0.profile.external_potential.view().to_pyarray(py) - } - - #[getter] - fn get_bulk(&self) -> PyState { - PyState(self.0.profile.bulk.clone()) - } - - #[getter] - fn get_solver_log(&self) -> Option { - self.0.profile.solver_log.clone().map(PyDFTSolverLog) - } - - #[getter] - fn get_weighted_densities<'py>( - &self, - py: Python<'py>, - ) -> PyResult>>> { - let n = self.0.profile.weighted_densities().map_err(PyFeosError::from)?; - Ok(n.into_iter().map(|n| n.view().to_pyarray(py)).collect()) - } - - #[getter] - fn get_functional_derivative<'py>( - &self, - py: Python<'py>, - ) -> PyResult>> { - Ok(self.0.profile.functional_derivative().map_err(PyFeosError::from)?.view().to_pyarray(py)) - } - - /// Calculate the entropy density of the inhomogeneous system. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SIArray - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn entropy_density( - &mut self, - contributions: PyContributions, - ) -> PyResult>, Volume>> { - Ok(self.0.profile.entropy_density(contributions.into()).map_err(PyFeosError::from)?) - } - - /// Calculate the entropy of the inhomogeneous system. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn entropy( - &mut self, - contributions: PyContributions, - ) -> PyResult { - Ok(self.0.profile.entropy(contributions.into()).map_err(PyFeosError::from)?) - } - - /// Calculate the internal energy of the inhomogeneous system. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn internal_energy( - &mut self, - contributions: PyContributions, - ) -> PyResult { - Ok(self.0.profile.internal_energy(contributions.into()).map_err(PyFeosError::from)?) - } - - #[getter] - fn get_grand_potential_density(&self) -> PyResult>> { - Ok(self.0.profile.grand_potential_density().map_err(PyFeosError::from)?) - } - $( - #[getter] - fn get_drho_dmu(&self) -> PyResult>, MolarEnergy>> { - Ok(self.0.profile.drho_dmu().map_err(PyFeosError::from)?) - } - )? - - #[getter] - fn get_dn_dmu(&self) -> PyResult>, MolarEnergy>> { - Ok(self.0.profile.dn_dmu().map_err(PyFeosError::from)?) - } - - #[getter] - fn get_drho_dp(&self) -> PyResult>, Pressure>> { - Ok(self.0.profile.drho_dp().map_err(PyFeosError::from)?) - } - - #[getter] - fn get_dn_dp(&self) -> PyResult>, Pressure>> { - Ok(self.0.profile.dn_dp().map_err(PyFeosError::from)?) - } - - #[getter] - fn get_drho_dt(&self) -> PyResult>, Temperature>> { - Ok(self.0.profile.drho_dt().map_err(PyFeosError::from)?) - } - - #[getter] - fn get_dn_dt(&self) -> PyResult>, Temperature>> { - Ok(self.0.profile.dn_dt().map_err(PyFeosError::from)?) - } - } - }; -} - -macro_rules! impl_1d_profile { - ($struct:ident, [$($ax:ident),+]) => { - impl_profile!( - $struct, - PyArray1, - PyArray2, - Array1, - Array2, - PyArray2, - [$([0, $ax]),+], - Array3 - ); - }; -} - -macro_rules! impl_2d_profile { - ($struct:ident, $ax1:ident, $ax2:ident) => { - impl_profile!( - $struct, - PyArray2, - PyArray3, - Array2, - Array3, - PyArray3, - [[0, $ax1], [1, $ax2]] - ); - - #[pymethods] - impl $struct { - #[getter] - fn get_edges(&self) -> [Length>; 2] { - self.0.profile.edges() - } - - #[getter] - fn get_meshgrid(&self) -> [Length>; 2] { - self.0.profile.meshgrid() - } - } - }; -} - -macro_rules! impl_3d_profile { - ($struct:ident, $ax1:ident, $ax2:ident, $ax3:ident) => { - impl_profile!( - $struct, - PyArray3, - PyArray4, - Array3, - Array4, - PyArray4, - [[0, $ax1], [1, $ax2], [2, $ax3]] - ); - - #[pymethods] - impl $struct { - #[getter] - fn get_edges(&self) -> [Length>; 3] { - self.0.profile.edges() - } - - #[getter] - fn get_meshgrid(&self) -> [Length>; 3] { - self.0.profile.meshgrid() - } - } - }; -} - -pub(crate) use {impl_1d_profile, impl_2d_profile, impl_3d_profile, impl_profile}; diff --git a/py-feos/src/dft/solvation.rs b/py-feos/src/dft/solvation.rs deleted file mode 100644 index 9e8706f3b..000000000 --- a/py-feos/src/dft/solvation.rs +++ /dev/null @@ -1,142 +0,0 @@ -use super::profile::{impl_1d_profile, impl_3d_profile, impl_profile}; -use super::{PyDFTSolver, PyDFTSolverLog}; -use crate::residual::ResidualModel; -use crate::state::{PyContributions, PyState}; -use crate::{error::PyFeosError, ideal_gas::IdealGasModel}; -use feos_core::{EquationOfState, ReferenceSystem}; -use feos_dft::solvation::{PairCorrelation, SolvationProfile}; -use nalgebra::{DMatrix, DVector}; -use ndarray::*; -use numpy::*; -use pyo3::*; -use quantity::*; -use std::sync::Arc; - -/// Density profile and properties of a solute in an inhomogeneous fluid. -/// -/// Parameters -/// ---------- -/// bulk : State -/// The bulk state of the surrounding solvent. -/// n_grid : [int, int, int] -/// The number of grid points in x-, y- and z-direction. -/// coordinates : SIArray2 -/// The cartesian coordinates of all N interaction sites. -/// sigma : numpy.ndarray[float] -/// The size parameters of all N interaction sites in units of Angstrom. -/// epsilon_k : numpy.ndarray[float] -/// The reduced energy parameters epsilon / kB of all N interaction sites in units of Kelvin. -/// system_size : [SINumber, SINumber, SINumber], optional -/// The box length in x-, y- and z-direction (default: [40.0 * ANGSTROM, 40.0 * ANGSTROM, 40.0 * ANGSTROM]). -/// cutoff_radius : SINumber, optional -/// The cut-off radius up to which the dispersive solute-solvent interactions are evaluated (default: 14.0 * ANGSTROM). -/// potential_cutoff: float, optional -/// Maximum value for the external potential. -/// -/// Returns -/// ------- -/// SolvationProfile -/// -#[pyclass(name = "SolvationProfile")] -pub struct PySolvationProfile( - SolvationProfile, ResidualModel>>>, -); - -impl_3d_profile!(PySolvationProfile, get_x, get_y, get_z); - -#[pymethods] -impl PySolvationProfile { - #[new] - #[pyo3( - text_signature = "(bulk, n_grid, coordinates, sigma, epsilon_k, system_size=None, cutoff_radius=None, potential_cutoff=None)" - )] - #[pyo3(signature = (bulk, n_grid, coordinates, sigma, epsilon_k, system_size=None, cutoff_radius=None, potential_cutoff=None))] - #[expect(clippy::too_many_arguments)] - fn new<'py>( - bulk: &PyState, - n_grid: [usize; 3], - coordinates: Length>, - sigma: &Bound<'py, PyArray1>, - epsilon_k: &Bound<'py, PyArray1>, - system_size: Option<[Length; 3]>, - cutoff_radius: Option, - potential_cutoff: Option, - ) -> PyResult { - Ok(Self( - SolvationProfile::new( - &bulk.0, - n_grid, - coordinates, - sigma.to_owned_array(), - epsilon_k.to_owned_array(), - system_size, - cutoff_radius, - potential_cutoff, - ) - .map_err(PyFeosError::from)?, - )) - } - - #[getter] - fn get_grand_potential(&self) -> Option { - self.0.grand_potential - } - - #[getter] - fn get_solvation_free_energy(&self) -> Option { - self.0.solvation_free_energy - } -} - -/// Density profile and properties of a test particle system. -/// -/// Parameters -/// ---------- -/// bulk : State -/// The bulk state in equilibrium with the profile. -/// test_particle : int -/// The index of the test particle. -/// n_grid : int -/// The number of grid points. -/// width: SINumber -/// The width of the system. -/// -/// Returns -/// ------- -/// PairCorrelation -/// -#[pyclass(name = "PairCorrelation")] -pub struct PyPairCorrelation( - PairCorrelation, ResidualModel>>>, -); - -impl_1d_profile!(PyPairCorrelation, [get_r]); - -#[pymethods] -impl PyPairCorrelation { - #[new] - fn new(bulk: PyState, test_particle: usize, n_grid: usize, width: Length) -> Self { - Self(PairCorrelation::new(&bulk.0, test_particle, n_grid, width)) - } - - #[getter] - fn get_pair_correlation_function<'py>( - &self, - py: Python<'py>, - ) -> Option>> { - self.0 - .pair_correlation_function - .as_ref() - .map(|g| g.view().to_pyarray(py)) - } - - #[getter] - fn get_self_solvation_free_energy(&self) -> Option { - self.0.self_solvation_free_energy - } - - #[getter] - fn get_structure_factor(&self) -> Option { - self.0.structure_factor - } -} diff --git a/py-feos/src/dft/solver.rs b/py-feos/src/dft/solver.rs deleted file mode 100644 index 2c23d57c3..000000000 --- a/py-feos/src/dft/solver.rs +++ /dev/null @@ -1,183 +0,0 @@ -use crate::PyVerbosity; -use feos_dft::{DFTSolver, DFTSolverLog}; -use ndarray::Array1; -use numpy::{PyArray1, ToPyArray}; -use pyo3::prelude::*; -use quantity::Time; - -/// Settings for the DFT solver. -/// -/// Parameters -/// ---------- -/// verbosity: Verbosity, optional -/// The verbosity level of the solver. -/// Defaults to Verbosity.None. -/// -/// Returns -/// ------- -/// DFTSolver -#[pyclass(name = "DFTSolver")] -#[derive(Clone)] -pub struct PyDFTSolver(pub DFTSolver); - -#[pymethods] -impl PyDFTSolver { - #[new] - #[pyo3(text_signature = "(verbosity=None)", signature = (verbosity=None))] - fn new(verbosity: Option) -> Self { - Self(DFTSolver::new(verbosity.map(|v| v.into()))) - } - - /// The default solver. - /// - /// Returns - /// ------- - /// DFTSolver - #[classattr] - fn default() -> Self { - Self(DFTSolver::default()) - } - - /// Add a picard iteration to the solver object. - /// - /// Parameters - /// ---------- - /// log: bool, optional - /// Iterate the logarithm of the density profile. - /// Defaults to False. - /// max_iter: int, optional - /// The maximum number of iterations. - /// Defaults to 500. - /// tol: float, optional - /// The tolerance. - /// Defaults to 1e-11. - /// damping_coefficient: float, optional - /// Constant damping coefficient. - /// If no damping coefficient is provided, a line - /// search is used to determine the step size. - /// - /// Returns - /// ------- - /// DFTSolver - #[pyo3(text_signature = "($self, log=None, max_iter=None, tol=None, damping_coefficient=None)")] - #[pyo3(signature = (log=None, max_iter=None, tol=None, damping_coefficient=None))] - fn picard_iteration( - &self, - log: Option, - max_iter: Option, - tol: Option, - damping_coefficient: Option, - ) -> Self { - Self( - self.0 - .clone() - .picard_iteration(log, max_iter, tol, damping_coefficient), - ) - } - - /// Add Anderson mixing to the solver object. - /// - /// Parameters - /// ---------- - /// log: bool, optional - /// Iterate the logarithm of the density profile - /// Defaults to False. - /// max_iter: int, optional - /// The maximum number of iterations. - /// Defaults to 150. - /// tol: float, optional - /// The tolerance. - /// Defaults to 1e-11. - /// damping_coefficient: float, optional - /// The damping coefficient. - /// Defaults to 0.15. - /// mmax: int, optional - /// The maximum number of old solutions that are used. - /// Defaults to 100. - /// - /// Returns - /// ------- - /// DFTSolver - #[pyo3( - text_signature = "($self, log=None, max_iter=None, tol=None, damping_coefficient=None, mmax=None)", - signature = (log=None, max_iter=None, tol=None, damping_coefficient=None, mmax=None) - )] - fn anderson_mixing( - &self, - log: Option, - max_iter: Option, - tol: Option, - damping_coefficient: Option, - mmax: Option, - ) -> Self { - Self( - self.0 - .clone() - .anderson_mixing(log, max_iter, tol, damping_coefficient, mmax), - ) - } - - /// Add Newton solver to the solver object. - /// - /// Parameters - /// ---------- - /// log: bool, optional - /// Iterate the logarithm of the density profile - /// Defaults to False. - /// max_iter: int, optional - /// The maximum number of iterations. - /// Defaults to 50. - /// max_iter_gmres: int, optional - /// The maximum number of iterations for the GMRES solver. - /// Defaults to 200. - /// tol: float, optional - /// The tolerance. - /// Defaults to 1e-11. - /// - /// Returns - /// ------- - /// DFTSolver - #[pyo3( - text_signature = "($self, log=None, max_iter=None, max_iter_gmres=None, tol=None)", - signature = (log=None, max_iter=None, max_iter_gmres=None, tol=None) - )] - fn newton( - &self, - log: Option, - max_iter: Option, - max_iter_gmres: Option, - tol: Option, - ) -> Self { - Self(self.0.clone().newton(log, max_iter, max_iter_gmres, tol)) - } - - fn _repr_markdown_(&self) -> String { - self.0._repr_markdown_() - } - - fn __repr__(&self) -> PyResult { - Ok(self.0.to_string()) - } -} - -#[pyclass(name = "DFTSolverLog")] -#[derive(Clone)] -pub struct PyDFTSolverLog(pub DFTSolverLog); - -#[pymethods] -impl PyDFTSolverLog { - #[getter] - fn get_residual<'py>(&self, py: Python<'py>) -> Bound<'py, PyArray1> { - self.0.residual().to_pyarray(py) - } - - #[getter] - fn get_time(&self) -> Time> { - self.0.time() - } - - #[getter] - fn get_solver(&self) -> Vec<&'static str> { - self.0.solver().to_vec() - } -} diff --git a/py-feos/src/eos/constructors.rs b/py-feos/src/eos/constructors.rs deleted file mode 100644 index bb3044b9e..000000000 --- a/py-feos/src/eos/constructors.rs +++ /dev/null @@ -1,127 +0,0 @@ -use super::PyEquationOfState; -use crate::ideal_gas::IdealGasModel; -use crate::parameter::{PyGcParameters, PyParameters}; -use crate::residual::ResidualModel; -use crate::user_defined::{PyIdealGas, PyResidual}; -use feos::ideal_gas::{Dippr, Joback}; -use feos_core::cubic::PengRobinson; -use feos_core::*; -use pyo3::prelude::*; -use std::sync::Arc; - -#[pymethods] -impl PyEquationOfState { - /// Peng-Robinson equation of state. - /// - /// Parameters - /// ---------- - /// parameters : PengRobinsonParameters - /// The parameters of the PR equation of state to use. - /// - /// Returns - /// ------- - /// EquationOfState - /// The PR equation of state that can be used to compute thermodynamic - /// states. - #[staticmethod] - pub fn peng_robinson(parameters: PyParameters) -> PyResult { - let residual = ResidualModel::PengRobinson(PengRobinson::new(parameters.try_convert()?)); - let ideal_gas = vec![IdealGasModel::NoModel; residual.components()]; - Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) - } - - /// Residual Helmholtz energy model from a Python class. - /// - /// Parameters - /// ---------- - /// residual : Class - /// A python class implementing the necessary methods - /// to be used as residual equation of state. - /// - /// Returns - /// ------- - /// EquationOfState - #[staticmethod] - fn python_residual(residual: Bound<'_, PyAny>) -> PyResult { - let residual = ResidualModel::Python(PyResidual::new(residual)?); - let ideal_gas = vec![IdealGasModel::NoModel; residual.components()]; - Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) - } - - /// Equation of state that only contains an ideal gas contribution. - /// - /// Returns - /// ------- - /// EquationOfState - #[staticmethod] - fn ideal_gas() -> Self { - let residual = ResidualModel::NoResidual(NoResidual(0)); - let ideal_gas = vec![IdealGasModel::NoModel; 0]; - Self(Arc::new(EquationOfState::new(ideal_gas, residual))) - } - - /// Ideal gas equation of state from a Python class. - /// - /// Parameters - /// ---------- - /// ideal_gas : Class - /// A python class implementing the necessary methods - /// to be used as an ideal gas model. - /// - /// Returns - /// ------- - /// EquationOfState - fn python_ideal_gas<'py>( - slf: Bound<'py, Self>, - ideal_gas: Vec>, - ) -> PyResult> { - slf.borrow_mut().add_ideal_gas( - ideal_gas - .into_iter() - .map(|i| Ok(IdealGasModel::Python(Arc::new(PyIdealGas::new(i)?)))) - .collect::>()?, - ); - Ok(slf) - } - - /// Ideal gas model of Joback and Reid. - /// - /// Parameters - /// ---------- - /// joback : Joback - /// The parametrized Joback model. - /// - /// Returns - /// ------- - /// EquationOfState - fn joback(slf: Bound<'_, Self>, joback: PyGcParameters) -> PyResult> { - slf.borrow_mut().add_ideal_gas( - Joback::new(joback.try_convert_homosegmented()?) - .into_iter() - .map(IdealGasModel::Joback) - .collect(), - ); - Ok(slf) - } - - /// Ideal gas model based on DIPPR equations for the ideal - /// gas heat capacity. - /// - /// Parameters - /// ---------- - /// dippr : Dippr - /// The parametrized Dippr model. - /// - /// Returns - /// ------- - /// EquationOfState - fn dippr(slf: Bound<'_, Self>, dippr: PyParameters) -> PyResult> { - slf.borrow_mut().add_ideal_gas( - Dippr::new(dippr.try_convert()?) - .into_iter() - .map(IdealGasModel::Dippr) - .collect(), - ); - Ok(slf) - } -} diff --git a/py-feos/src/eos/epcsaft.rs b/py-feos/src/eos/epcsaft.rs deleted file mode 100644 index a1ccf46e1..000000000 --- a/py-feos/src/eos/epcsaft.rs +++ /dev/null @@ -1,69 +0,0 @@ -use super::PyEquationOfState; -use crate::error::PyFeosError; -use crate::ideal_gas::IdealGasModel; -use crate::parameter::PyParameters; -use crate::residual::ResidualModel; -use feos::epcsaft::{ElectrolytePcSaft, ElectrolytePcSaftOptions, ElectrolytePcSaftVariants}; -use feos_core::{EquationOfState, ResidualDyn}; -use pyo3::exceptions::PyValueError; -use pyo3::prelude::*; -use std::sync::Arc; - -#[pymethods] -impl PyEquationOfState { - /// ePC-SAFT equation of state. - /// - /// Parameters - /// ---------- - /// parameters : ElectrolytePcSaftParameters - /// The parameters of the PC-SAFT equation of state to use. - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// max_iter_cross_assoc : unsigned integer, optional - /// Maximum number of iterations for cross association. Defaults to 50. - /// tol_cross_assoc : float, optional - /// Tolerance for convergence of cross association. Defaults to 1e-10. - /// epcsaft_variant : "advanced" | "revised", optional - /// Variant of the ePC-SAFT equation of state. Defaults to "advanced" - /// - /// Returns - /// ------- - /// EquationOfState - /// The ePC-SAFT equation of state that can be used to compute thermodynamic - /// states. - #[staticmethod] - #[pyo3( - signature = (parameters, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10, epcsaft_variant="advanced"), - text_signature = r#"(parameters, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10, epcsaft_variant="advanced")"#, - )] - pub fn epcsaft( - parameters: PyParameters, - max_eta: f64, - max_iter_cross_assoc: usize, - tol_cross_assoc: f64, - epcsaft_variant: &str, - ) -> PyResult { - let epcsaft_variant = match epcsaft_variant { - "advanced" => ElectrolytePcSaftVariants::Advanced, - "revised" => ElectrolytePcSaftVariants::Revised, - _ => { - return Err(PyErr::new::( - r#"epcsaft_variant must be "advanced" or "revised""#.to_string(), - )) - } - }; - - let options = ElectrolytePcSaftOptions { - max_eta, - max_iter_cross_assoc, - tol_cross_assoc, - epcsaft_variant, - }; - let residual = ResidualModel::ElectrolytePcSaft( - ElectrolytePcSaft::with_options(parameters.try_convert()?, options) - .map_err(PyFeosError::from)?, - ); - let ideal_gas = vec![IdealGasModel::NoModel; residual.components()]; - Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) - } -} diff --git a/py-feos/src/eos/gc_pcsaft.rs b/py-feos/src/eos/gc_pcsaft.rs deleted file mode 100644 index 88d6c293b..000000000 --- a/py-feos/src/eos/gc_pcsaft.rs +++ /dev/null @@ -1,107 +0,0 @@ -use super::PyEquationOfState; -#[cfg(feature = "dft")] -use crate::dft::{PyFMTVersion, PyHelmholtzEnergyFunctional}; -use crate::{ideal_gas::IdealGasModel, parameter::PyGcParameters, residual::ResidualModel}; -#[cfg(feature = "dft")] -use feos::gc_pcsaft::GcPcSaftFunctional; -use feos::gc_pcsaft::{GcPcSaft, GcPcSaftOptions}; -use feos_core::{EquationOfState, ResidualDyn}; -use pyo3::prelude::*; -use std::sync::Arc; - -#[pymethods] -impl PyEquationOfState { - /// (heterosegmented) group contribution PC-SAFT equation of state. - /// - /// Parameters - /// ---------- - /// parameters : GcPcSaftEosParameters - /// The parameters of the PC-SAFT equation of state to use. - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// max_iter_cross_assoc : unsigned integer, optional - /// Maximum number of iterations for cross association. Defaults to 50. - /// tol_cross_assoc : float - /// Tolerance for convergence of cross association. Defaults to 1e-10. - /// - /// Returns - /// ------- - /// EquationOfState - /// The gc-PC-SAFT equation of state that can be used to compute thermodynamic - /// states. - #[cfg(feature = "gc_pcsaft")] - #[staticmethod] - #[pyo3( - signature = (parameters, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10), - text_signature = "(parameters, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10)" - )] - pub fn gc_pcsaft( - parameters: PyGcParameters, - max_eta: f64, - max_iter_cross_assoc: usize, - tol_cross_assoc: f64, - ) -> PyResult { - let options = GcPcSaftOptions { - max_eta, - max_iter_cross_assoc, - tol_cross_assoc, - }; - let residual = ResidualModel::GcPcSaft(GcPcSaft::with_options( - parameters.try_convert_heterosegmented()?, - options, - )); - let ideal_gas = vec![IdealGasModel::NoModel; residual.components()]; - Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) - } -} - -#[cfg(feature = "dft")] -#[pymethods] -impl PyHelmholtzEnergyFunctional { - /// (heterosegmented) group contribution PC-SAFT Helmholtz energy functional. - /// - /// Parameters - /// ---------- - /// parameters: GcPcSaftFunctionalParameters - /// The set of PC-SAFT parameters. - /// fmt_version: FMTVersion, optional - /// The specific variant of the FMT term. Defaults to FMTVersion.WhiteBear - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// max_iter_cross_assoc : unsigned integer, optional - /// Maximum number of iterations for cross association. Defaults to 50. - /// tol_cross_assoc : float - /// Tolerance for convergence of cross association. Defaults to 1e-10. - /// - /// Returns - /// ------- - /// HelmholtzEnergyFunctional - #[cfg(feature = "gc_pcsaft")] - #[staticmethod] - #[pyo3( - signature = (parameters, fmt_version=PyFMTVersion::WhiteBear, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10), - text_signature = "(parameters, fmt_version, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10)" - )] - fn gc_pcsaft( - parameters: PyGcParameters, - fmt_version: PyFMTVersion, - max_eta: f64, - max_iter_cross_assoc: usize, - tol_cross_assoc: f64, - ) -> PyResult { - let options = GcPcSaftOptions { - max_eta, - max_iter_cross_assoc, - tol_cross_assoc, - }; - let func = ResidualModel::GcPcSaftFunctional(GcPcSaftFunctional::with_options( - parameters.try_convert_heterosegmented()?, - fmt_version.into(), - options, - )); - let ideal_gas = vec![IdealGasModel::NoModel; func.components()]; - Ok(PyEquationOfState(Arc::new(EquationOfState::new( - ideal_gas, func, - )))) - } -} diff --git a/py-feos/src/eos/mod.rs b/py-feos/src/eos/mod.rs deleted file mode 100644 index 86b6a1447..000000000 --- a/py-feos/src/eos/mod.rs +++ /dev/null @@ -1,225 +0,0 @@ -use crate::error::PyFeosError; -use crate::ideal_gas::IdealGasModel; -use crate::residual::ResidualModel; -use feos_core::*; -use indexmap::IndexMap; -use nalgebra::{DVector, DVectorView, Dyn}; -use numpy::{PyArray1, PyReadonlyArray1, ToPyArray}; -use pyo3::prelude::*; -use quantity::*; -use std::sync::Arc; -use typenum::Quot; - -mod constructors; -#[cfg(feature = "epcsaft")] -mod epcsaft; -#[cfg(feature = "gc_pcsaft")] -mod gc_pcsaft; -#[cfg(feature = "multiparameter")] -mod multiparameter; -#[cfg(feature = "pcsaft")] -mod pcsaft; -#[cfg(feature = "pets")] -mod pets; -#[cfg(feature = "saftvrmie")] -mod saftvrmie; -#[cfg(feature = "saftvrqmie")] -mod saftvrqmie; -#[cfg(feature = "uvtheory")] -mod uvtheory; - -/// Collection of equations of state. -#[pyclass(name = "EquationOfState")] -pub struct PyEquationOfState(pub Arc, ResidualModel>>); - -#[pymethods] -impl PyEquationOfState { - #[getter] - fn get_parameters<'py>(&self, py: Python<'py>) -> IndexMap> { - let pure = self.0.pure_parameters(); - let binary = self.0.binary_parameters(); - let association_ab = self.0.association_parameters_ab(); - let association_cc = self.0.association_parameters_cc(); - pure.into_iter() - .map(|(k, v)| (k, PyArray1::from_slice(py, v.as_slice()).into_any())) - .chain( - binary - .into_iter() - .chain(association_ab) - .chain(association_cc) - .map(|(k, v)| (k, v.to_pyarray(py).into_any())), - ) - .collect() - } - - /// Return maximum density for given amount of substance of each component. - /// - /// Parameters - /// ---------- - /// molefracs : np.ndarray[float], optional - /// The composition of the mixture. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(text_signature = "(molefracs=None)", signature = (molefracs=None))] - fn max_density(&self, molefracs: Option>) -> PyResult { - Ok(self - .0 - .max_density(&parse_molefracs(molefracs)) - .map_err(PyFeosError::from)?) - } - - /// Calculate the second Virial coefficient B(T,x). - /// - /// Parameters - /// ---------- - /// temperature : SINumber - /// The temperature for which B should be computed. - /// molefracs : np.ndarray[float], optional - /// The composition of the mixture. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(text_signature = "(temperature, molefracs=None)", signature = (temperature, molefracs=None))] - fn second_virial_coefficient( - &self, - temperature: Temperature, - molefracs: Option>, - ) -> Quot { - self.0 - .second_virial_coefficient(temperature, &parse_molefracs(molefracs)) - } - - /// Calculate the third Virial coefficient C(T,x). - /// - /// Parameters - /// ---------- - /// temperature : SINumber - /// The temperature for which C should be computed. - /// molefracs : np.ndarray[float], optional - /// The composition of the mixture. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(text_signature = "(temperature, molefracs=None)", signature = (temperature, molefracs=None))] - fn third_virial_coefficient( - &self, - temperature: Temperature, - molefracs: Option>, - ) -> Quot, Density> { - self.0 - .third_virial_coefficient(temperature, &parse_molefracs(molefracs)) - } - - /// Calculate the derivative of the second Virial coefficient B(T,x) - /// with respect to temperature. - /// - /// Parameters - /// ---------- - /// temperature : SINumber - /// The temperature for which B' should be computed. - /// molefracs : np.ndarray[float], optional - /// The composition of the mixture. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(text_signature = "(temperature, molefracs=None)", signature = (temperature, molefracs=None))] - fn second_virial_coefficient_temperature_derivative( - &self, - temperature: Temperature, - molefracs: Option>, - ) -> Quot, Temperature> { - self.0.second_virial_coefficient_temperature_derivative( - temperature, - &parse_molefracs(molefracs), - ) - } - - /// Calculate the derivative of the third Virial coefficient C(T,x) - /// with respect to temperature. - /// - /// Parameters - /// ---------- - /// temperature : SINumber - /// The temperature for which C' should be computed. - /// molefracs : np.ndarray[float], optional - /// The composition of the mixture. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(text_signature = "(temperature, molefracs=None)", signature = (temperature, molefracs=None))] - fn third_virial_coefficient_temperature_derivative( - &self, - temperature: Temperature, - molefracs: Option>, - ) -> Quot, Density>, Temperature> { - self.0.third_virial_coefficient_temperature_derivative( - temperature, - &parse_molefracs(molefracs), - ) - } -} - -impl PyEquationOfState { - fn add_ideal_gas(&mut self, ideal_gas: Vec) { - let Some(eos) = Arc::get_mut(&mut self.0) else { - panic!("Cannot change equation of state after using it!") - }; - if let ResidualModel::NoResidual(c) = &mut eos.residual { - c.0 = ideal_gas.len() - } - if eos.ideal_gas.is_empty() || matches!(eos.ideal_gas[0], IdealGasModel::NoModel) { - eos.ideal_gas = ideal_gas; - } else { - panic!("There is already an ideal gas model initialized for the equation of state!") - } - } -} - -pub(crate) fn parse_molefracs(molefracs: Option>) -> Option> { - molefracs.map(|x| { - let x: DVectorView = x - .try_as_matrix() - .expect("molefracs are in an invalid format!"); - x.clone_owned() - }) -} - -// impl_state_entropy_scaling!(EquationOfState, ResidualModel>, PyEquationOfState); -// impl_phase_equilibrium!(EquationOfState, ResidualModel>, PyEquationOfState); - -// #[cfg(feature = "estimator")] -// impl_estimator!(EquationOfState, ResidualModel>, PyEquationOfState); -// #[cfg(all(feature = "estimator", feature = "pcsaft"))] -// impl_estimator_entropy_scaling!(EquationOfState, ResidualModel>, PyEquationOfState); - -// #[pymodule] -// pub fn eos(m: &Bound<'_, PyModule>) -> PyResult<()> { -// m.add_class::()?; -// m.add_class::()?; - -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; - -// #[cfg(feature = "estimator")] -// m.add_wrapped(wrap_pymodule!(estimator_eos))?; - -// Ok(()) -// } - -// #[cfg(feature = "estimator")] -// #[pymodule] -// pub fn estimator_eos(m: &Bound<'_, PyModule>) -> PyResult<()> { -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::()?; -// m.add_class::() -// } diff --git a/py-feos/src/eos/multiparameter.rs b/py-feos/src/eos/multiparameter.rs deleted file mode 100644 index dd98abed7..000000000 --- a/py-feos/src/eos/multiparameter.rs +++ /dev/null @@ -1,57 +0,0 @@ -use super::PyEquationOfState; -use crate::ideal_gas::IdealGasModel; -use crate::parameter::PyParameters; -use crate::residual::ResidualModel; -use feos::multiparameter::MultiParameter; -use feos_core::EquationOfState; -use pyo3::prelude::*; -use std::sync::Arc; - -#[pymethods] -impl PyEquationOfState { - /// Multiparameter Helmholtz energy equations of state. - /// - /// Parameters - /// ---------- - /// parameters : Parameters - /// The parameters of the multiparameter Helmholtz equation of state. - /// - /// Returns - /// ------- - /// EquationOfState - #[staticmethod] - pub fn multiparameter(parameters: PyParameters) -> PyResult { - let eos = MultiParameter::new(parameters.try_convert()?); - let residual = ResidualModel::MultiParameter(eos.residual); - let ideal_gas = eos - .ideal_gas - .into_iter() - .map(IdealGasModel::MultiParameter) - .collect(); - Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) - } - - /// Ideal gas model used in multiparameter Helmholtz energy equations of state. - /// - /// Parameters - /// ---------- - /// parameters : Parameters - /// The parameters of the multiparameter Helmholtz equation of state. - /// - /// Returns - /// ------- - /// EquationOfState - pub fn multiparameter_ideal_gas( - slf: Bound<'_, Self>, - parameters: PyParameters, - ) -> PyResult> { - let eos = MultiParameter::new(parameters.try_convert()?); - let ideal_gas = eos - .ideal_gas - .into_iter() - .map(IdealGasModel::MultiParameter) - .collect(); - slf.borrow_mut().add_ideal_gas(ideal_gas); - Ok(slf) - } -} diff --git a/py-feos/src/eos/pcsaft.rs b/py-feos/src/eos/pcsaft.rs deleted file mode 100644 index 51dbdf406..000000000 --- a/py-feos/src/eos/pcsaft.rs +++ /dev/null @@ -1,141 +0,0 @@ -use super::PyEquationOfState; -#[cfg(feature = "dft")] -use crate::dft::{PyFMTVersion, PyHelmholtzEnergyFunctional}; -use crate::ideal_gas::IdealGasModel; -use crate::parameter::{PyGcParameters, PyParameters}; -use crate::residual::ResidualModel; -#[cfg(feature = "dft")] -use feos::pcsaft::PcSaftFunctional; -use feos::pcsaft::{DQVariants, PcSaft, PcSaftOptions}; -use feos_core::{EquationOfState, ResidualDyn}; -use pyo3::exceptions::PyValueError; -use pyo3::prelude::*; -use std::sync::Arc; - -#[pymethods] -impl PyEquationOfState { - /// PC-SAFT equation of state. - /// - /// Parameters - /// ---------- - /// parameters : PcSaftParameters - /// The parameters of the PC-SAFT equation of state to use. - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// max_iter_cross_assoc : unsigned integer, optional - /// Maximum number of iterations for cross association. Defaults to 50. - /// tol_cross_assoc : float, optional - /// Tolerance for convergence of cross association. Defaults to 1e-10. - /// dq_variant : "dq35" | "dq44", optional - /// Combination rule used in the dipole/quadrupole term. Defaults to "dq35" - /// - /// Returns - /// ------- - /// EquationOfState - /// The PC-SAFT equation of state that can be used to compute thermodynamic - /// states. - #[staticmethod] - #[pyo3( - signature = (parameters, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10, dq_variant="dq35"), - text_signature = r#"(parameters, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10, dq_variant="dq35")"# - )] - pub fn pcsaft( - parameters: &Bound<'_, PyAny>, - max_eta: f64, - max_iter_cross_assoc: usize, - tol_cross_assoc: f64, - dq_variant: &str, - ) -> PyResult { - let dq_variant = match dq_variant { - "dq35" => DQVariants::DQ35, - "dq44" => DQVariants::DQ44, - _ => { - return Err(PyErr::new::( - r#"dq_variant must be "dq35" or "dq44""#, - )) - } - }; - let options = PcSaftOptions { - max_eta, - max_iter_cross_assoc, - tol_cross_assoc, - dq_variant, - }; - let parameters = if let Ok(parameters) = parameters.extract::() { - parameters.try_convert() - } else if let Ok(parameters) = parameters.extract::() { - parameters.try_convert_homosegmented() - } else { - return Err(PyErr::new::( - "Argument `parameters` must by Parameters or GcParameters", - )); - }?; - let residual = ResidualModel::PcSaft(PcSaft::with_options(parameters, options)); - let ideal_gas = vec![IdealGasModel::NoModel; residual.components()]; - Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) - } -} - -#[cfg(feature = "dft")] -#[pymethods] -impl PyHelmholtzEnergyFunctional { - /// PC-SAFT Helmholtz energy functional. - /// - /// Parameters - /// ---------- - /// parameters: PcSaftParameters - /// The set of PC-SAFT parameters. - /// fmt_version: FMTVersion, optional - /// The specific variant of the FMT term. Defaults to FMTVersion.WhiteBear - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// max_iter_cross_assoc : unsigned integer, optional - /// Maximum number of iterations for cross association. Defaults to 50. - /// tol_cross_assoc : float - /// Tolerance for convergence of cross association. Defaults to 1e-10. - /// dq_variant : DQVariants, optional - /// Combination rule used in the dipole/quadrupole term. Defaults to 'DQVariants.DQ35' - /// - /// Returns - /// ------- - /// HelmholtzEnergyFunctional - #[cfg(feature = "pcsaft")] - #[staticmethod] - #[pyo3( - signature = (parameters, fmt_version=PyFMTVersion::WhiteBear, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10, dq_variant="dq35"), - text_signature = r#"(parameters, fmt_version, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10, dq_variant="dq35")"# - )] - fn pcsaft( - parameters: crate::parameter::PyParameters, - fmt_version: PyFMTVersion, - max_eta: f64, - max_iter_cross_assoc: usize, - tol_cross_assoc: f64, - dq_variant: &str, - ) -> PyResult { - let dq_variant = match dq_variant { - "dq35" => DQVariants::DQ35, - "dq44" => DQVariants::DQ44, - _ => { - return Err(PyErr::new::( - r#"dq_variant must be "dq35" or "dq44""#.to_string(), - )) - } - }; - let options = PcSaftOptions { - max_eta, - max_iter_cross_assoc, - tol_cross_assoc, - dq_variant, - }; - let func = ResidualModel::PcSaftFunctional(PcSaftFunctional::with_options( - parameters.try_convert()?, - fmt_version.into(), - options, - )); - let ideal_gas = vec![IdealGasModel::NoModel; func.components()]; - Ok(PyEquationOfState(Arc::new(EquationOfState::new( - ideal_gas, func, - )))) - } -} diff --git a/py-feos/src/eos/pets.rs b/py-feos/src/eos/pets.rs deleted file mode 100644 index e1bcf6df0..000000000 --- a/py-feos/src/eos/pets.rs +++ /dev/null @@ -1,78 +0,0 @@ -use super::PyEquationOfState; -#[cfg(feature = "dft")] -use crate::dft::{PyFMTVersion, PyHelmholtzEnergyFunctional}; -use crate::{ideal_gas::IdealGasModel, parameter::PyParameters, residual::ResidualModel}; -use feos::pets::{Pets, PetsOptions}; -use feos_core::{EquationOfState, ResidualDyn}; -use pyo3::prelude::*; -use std::sync::Arc; - -#[pymethods] -impl PyEquationOfState { - /// PeTS equation of state. - /// - /// Parameters - /// ---------- - /// parameters : PetsParameters - /// The parameters of the PeTS equation of state to use. - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// - /// Returns - /// ------- - /// EquationOfState - /// The PeTS equation of state that can be used to compute thermodynamic - /// states. - #[staticmethod] - #[pyo3(signature = (parameters, max_eta=0.5), text_signature = "(parameters, max_eta=0.5)")] - fn pets(parameters: PyParameters, max_eta: f64) -> PyResult { - let options = PetsOptions { - max_eta, - ..Default::default() - }; - let residual = ResidualModel::Pets(Pets::with_options(parameters.try_convert()?, options)); - let ideal_gas = vec![IdealGasModel::NoModel; residual.components()]; - Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) - } -} - -#[cfg(feature = "dft")] -#[pymethods] -impl PyHelmholtzEnergyFunctional { - /// PeTS Helmholtz energy functional without simplifications - /// for pure components. - /// - /// Parameters - /// ---------- - /// parameters: PetsParameters - /// The set of PeTS parameters. - /// fmt_version: FMTVersion, optional - /// The specific variant of the FMT term. Defaults to FMTVersion.WhiteBear - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// - /// Returns - /// ------- - /// HelmholtzEnergyFunctional - #[staticmethod] - #[pyo3( - signature = (parameters, fmt_version=PyFMTVersion::WhiteBear, max_eta=0.5), - text_signature = "(parameters, fmt_version, max_eta=0.5)" - )] - fn pets( - parameters: PyParameters, - fmt_version: PyFMTVersion, - max_eta: f64, - ) -> PyResult { - let options = PetsOptions { - max_eta, - fmt_version: fmt_version.into(), - }; - let func = - ResidualModel::PetsFunctional(Pets::with_options(parameters.try_convert()?, options)); - let ideal_gas = vec![IdealGasModel::NoModel; func.components()]; - Ok(PyEquationOfState(Arc::new(EquationOfState::new( - ideal_gas, func, - )))) - } -} diff --git a/py-feos/src/eos/saftvrmie.rs b/py-feos/src/eos/saftvrmie.rs deleted file mode 100644 index 235af6b7b..000000000 --- a/py-feos/src/eos/saftvrmie.rs +++ /dev/null @@ -1,49 +0,0 @@ -use super::PyEquationOfState; -use crate::{ideal_gas::IdealGasModel, parameter::PyParameters, residual::ResidualModel}; -use feos::saftvrmie::{SaftVRMie, SaftVRMieOptions}; -use feos_core::{EquationOfState, ResidualDyn}; -use pyo3::prelude::*; -use std::sync::Arc; - -#[pymethods] -impl PyEquationOfState { - /// SAFT-VR Mie equation of state. - /// - /// Parameters - /// ---------- - /// parameters : SaftVRMieParameters - /// The parameters of the PC-SAFT equation of state to use. - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// max_iter_cross_assoc : unsigned integer, optional - /// Maximum number of iterations for cross association. Defaults to 50. - /// tol_cross_assoc : float - /// Tolerance for convergence of cross association. Defaults to 1e-10. - /// - /// Returns - /// ------- - /// EquationOfState - /// The SAFT-VR Mie equation of state that can be used to compute thermodynamic - /// states. - #[staticmethod] - #[pyo3( - signature = (parameters, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10), - text_signature = "(parameters, max_eta=0.5, max_iter_cross_assoc=50, tol_cross_assoc=1e-10)" - )] - pub fn saftvrmie( - parameters: PyParameters, - max_eta: f64, - max_iter_cross_assoc: usize, - tol_cross_assoc: f64, - ) -> PyResult { - let options = SaftVRMieOptions { - max_eta, - max_iter_cross_assoc, - tol_cross_assoc, - }; - let residual = - ResidualModel::SaftVRMie(SaftVRMie::with_options(parameters.try_convert()?, options)); - let ideal_gas = vec![IdealGasModel::NoModel; residual.components()]; - Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) - } -} diff --git a/py-feos/src/eos/saftvrqmie.rs b/py-feos/src/eos/saftvrqmie.rs deleted file mode 100644 index f31c13f55..000000000 --- a/py-feos/src/eos/saftvrqmie.rs +++ /dev/null @@ -1,97 +0,0 @@ -use super::PyEquationOfState; -#[cfg(feature = "dft")] -use crate::dft::{PyFMTVersion, PyHelmholtzEnergyFunctional}; -use crate::error::PyFeosError; -use crate::ideal_gas::IdealGasModel; -use crate::parameter::PyParameters; -use crate::residual::ResidualModel; -use feos::saftvrqmie::{SaftVRQMie, SaftVRQMieOptions}; -use feos_core::{EquationOfState, ResidualDyn}; -use pyo3::prelude::*; -use std::sync::Arc; - -#[pymethods] -impl PyEquationOfState { - /// SAFT-VRQ Mie equation of state. - /// - /// Parameters - /// ---------- - /// parameters : SaftVRQMieParameters - /// The parameters of the SAFT-VRQ Mie equation of state to use. - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// inc_nonadd_term : bool, optional - /// Include non-additive correction to the hard-sphere reference. Defaults to True. - /// - /// Returns - /// ------- - /// EquationOfState - /// The SAFT-VRQ Mie equation of state that can be used to compute thermodynamic - /// states. - #[staticmethod] - #[pyo3( - signature = (parameters, max_eta=0.5, inc_nonadd_term=true), - text_signature = "(parameters, max_eta=0.5, inc_nonadd_term=True)" - )] - fn saftvrqmie(parameters: PyParameters, max_eta: f64, inc_nonadd_term: bool) -> PyResult { - let options = SaftVRQMieOptions { - max_eta, - inc_nonadd_term, - ..Default::default() - }; - let residual = ResidualModel::SaftVRQMie( - SaftVRQMie::with_options(parameters.try_convert()?, options) - .map_err(PyFeosError::from)?, - ); - let ideal_gas = vec![IdealGasModel::NoModel; residual.components()]; - Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) - } -} - -#[cfg(feature = "dft")] -#[pymethods] -impl PyHelmholtzEnergyFunctional { - /// SAFT-VRQ Mie Helmholtz energy functional. - /// - /// Parameters - /// ---------- - /// parameters : SaftVRQMieParameters - /// The parameters of the SAFT-VRQ Mie Helmholtz energy functional to use. - /// fmt_version: FMTVersion, optional - /// The specific variant of the FMT term. Defaults to FMTVersion.WhiteBear - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// inc_nonadd_term : bool, optional - /// Include non-additive correction to the hard-sphere reference. Defaults to True. - /// - /// Returns - /// ------- - /// HelmholtzEnergyFunctional - #[staticmethod] - #[pyo3( - signature = (parameters, fmt_version=PyFMTVersion::WhiteBear, max_eta=0.5, inc_nonadd_term=true), - text_signature = "(parameters, fmt_version, max_eta=0.5, inc_nonadd_term=True)" - )] - fn saftvrqmie( - parameters: PyParameters, - fmt_version: PyFMTVersion, - max_eta: f64, - inc_nonadd_term: bool, - ) -> PyResult { - use crate::error::PyFeosError; - - let options = SaftVRQMieOptions { - max_eta, - inc_nonadd_term, - fmt_version: fmt_version.into(), - }; - let func = ResidualModel::SaftVRQMieFunctional( - SaftVRQMie::with_options(parameters.try_convert()?, options) - .map_err(PyFeosError::from)?, - ); - let ideal_gas = vec![IdealGasModel::NoModel; func.components()]; - Ok(PyEquationOfState(Arc::new(EquationOfState::new( - ideal_gas, func, - )))) - } -} diff --git a/py-feos/src/eos/uvtheory.rs b/py-feos/src/eos/uvtheory.rs deleted file mode 100644 index b5ce5b1e6..000000000 --- a/py-feos/src/eos/uvtheory.rs +++ /dev/null @@ -1,54 +0,0 @@ -use super::PyEquationOfState; -use crate::ideal_gas::IdealGasModel; -use crate::parameter::PyParameters; -use crate::residual::ResidualModel; -use feos::uvtheory::{Perturbation, UVTheory, UVTheoryOptions}; -use feos_core::{EquationOfState, ResidualDyn}; -use pyo3::exceptions::PyValueError; -use pyo3::prelude::*; -use std::sync::Arc; - -#[pymethods] -impl PyEquationOfState { - /// UV-Theory equation of state. - /// - /// Parameters - /// ---------- - /// parameters : UVTheoryParameters - /// The parameters of the UV-theory equation of state to use. - /// max_eta : float, optional - /// Maximum packing fraction. Defaults to 0.5. - /// perturbation : "BH" | "WCA" | "WCA_B3", optional - /// Division type of the Mie potential. Defaults to "WCA". - /// - /// Returns - /// ------- - /// EquationOfState - /// The UV-Theory equation of state that can be used to compute thermodynamic - /// states. - #[staticmethod] - #[pyo3( - signature = (parameters, max_eta=0.5, perturbation="WCA"), - text_signature = r#"(parameters, max_eta=0.5, perturbation="WCA")"# - )] - fn uvtheory(parameters: PyParameters, max_eta: f64, perturbation: &str) -> PyResult { - let perturbation = match perturbation { - "BH" => Perturbation::BarkerHenderson, - "WCA" => Perturbation::WeeksChandlerAndersen, - "WCA_B3" => Perturbation::WeeksChandlerAndersenB3, - _ => { - return Err(PyErr::new::( - r#"perturbation must be "BH", "WCA" or "WCA_B3""#.to_string(), - )) - } - }; - let options = UVTheoryOptions { - max_eta, - perturbation, - }; - let residual = - ResidualModel::UVTheory(UVTheory::with_options(parameters.try_convert()?, options)); - let ideal_gas = vec![IdealGasModel::NoModel; residual.components()]; - Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) - } -} diff --git a/py-feos/src/error.rs b/py-feos/src/error.rs deleted file mode 100644 index 9e8db159a..000000000 --- a/py-feos/src/error.rs +++ /dev/null @@ -1,23 +0,0 @@ -use feos_core::FeosError; -use pyo3::exceptions::PyRuntimeError; -use pyo3::prelude::*; -use thiserror::Error; - -#[derive(Debug, Error)] -pub enum PyFeosError { - #[error("{0}")] - Error(String), - #[error(transparent)] - FeosError(#[from] FeosError), - #[error(transparent)] - Serde(#[from] serde_json::Error), - #[cfg(feature = "rayon")] - #[error(transparent)] - Rayon(#[from] rayon::ThreadPoolBuildError), -} - -impl From for PyErr { - fn from(e: PyFeosError) -> PyErr { - PyRuntimeError::new_err(e.to_string()) - } -} diff --git a/py-feos/src/estimator.rs b/py-feos/src/estimator.rs deleted file mode 100644 index 0b2bf8801..000000000 --- a/py-feos/src/estimator.rs +++ /dev/null @@ -1,741 +0,0 @@ -use crate::eos::PyEquationOfState; -use crate::error::PyFeosError; -use crate::ideal_gas::IdealGasModel; -use crate::residual::ResidualModel; -use crate::PyVerbosity; -use feos::estimator::{ - BinaryPhaseDiagram, BinaryVleChemicalPotential, BinaryVlePressure, DataSet, Diffusion, - EquilibriumLiquidDensity, Estimator, LiquidDensity, Loss, Phase, VaporPressure, -}; -use feos_core::EquationOfState; -use ndarray::Array1; -use numpy::{PyArray1, PyArrayMethods, ToPyArray}; -use pyo3::exceptions::PyValueError; -use pyo3::prelude::*; -use pyo3::PyErr; -use quantity::*; -use std::sync::Arc; - -#[derive(Debug, Clone, Copy, PartialEq)] -#[pyclass(name = "Loss", eq)] -pub(crate) enum PyLoss { - Linear(), - SoftL1(f64), - Huber(f64), - Cauchy(f64), - Arctan(f64), -} - -impl From for PyLoss { - fn from(value: Loss) -> Self { - use Loss::*; - match value { - Linear => Self::Linear(), - SoftL1(s) => Self::SoftL1(s), - Huber(s) => Self::Huber(s), - Cauchy(s) => Self::Cauchy(s), - Arctan(s) => Self::Arctan(s), - } - } -} - -impl From for Loss { - fn from(value: PyLoss) -> Self { - use PyLoss::*; - match value { - Linear() => Self::Linear, - SoftL1(s) => Self::SoftL1(s), - Huber(s) => Self::Huber(s), - Cauchy(s) => Self::Cauchy(s), - Arctan(s) => Self::Arctan(s), - } - } -} - -#[derive(Debug, Clone, Copy, PartialEq)] -#[pyclass(name = "Phase", eq, eq_int)] -pub(crate) enum PyPhase { - Vapor, - Liquid, -} - -impl From for PyPhase { - fn from(value: Phase) -> Self { - use Phase::*; - match value { - Vapor => Self::Vapor, - Liquid => Self::Liquid, - } - } -} - -impl From for Phase { - fn from(value: PyPhase) -> Self { - use PyPhase::*; - match value { - Vapor => Self::Vapor, - Liquid => Self::Liquid, - } - } -} - -/// A collection of experimental data that can be used to compute -/// cost functions and make predictions using an equation of state. -#[pyclass(name = "DataSet")] -#[derive(Clone)] -pub struct PyDataSet(Arc>>); - -#[pymethods] -impl PyDataSet { - /// Compute the cost function for each input value. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state that is used. - /// loss : Loss - /// The loss function that is applied to residuals - /// to handle outliers. - /// - /// Returns - /// ------- - /// numpy.ndarray[Float] - /// The cost function evaluated for each experimental data point. - /// - /// Note - /// ---- - /// The cost function that is used depends on the - /// property. For most properties it is the absolute relative difference. - /// See the constructors of the respective properties - /// to learn about the cost functions that are used. - #[pyo3(text_signature = "($self, eos, loss)")] - fn cost<'py>( - &self, - eos: &PyEquationOfState, - loss: PyLoss, - py: Python<'py>, - ) -> PyResult>> { - Ok(self - .0 - .cost(&eos.0, loss.into()) - .map_err(PyFeosError::from)? - .view() - .to_pyarray(py)) - } - - /// Return the property of interest for each data point - /// of the input as computed by the equation of state. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state that is used. - /// - /// Returns - /// ------- - /// SIArray1 - #[pyo3(text_signature = "($self, eos)")] - fn predict<'py>( - &self, - eos: &PyEquationOfState, - py: Python<'py>, - ) -> PyResult>> { - Ok(self - .0 - .predict(&eos.0) - .map_err(PyFeosError::from)? - .view() - .to_pyarray(py)) - } - - /// Return the relative difference between experimental data - /// and prediction of the equation of state. - /// - /// The relative difference is computed as: - /// - /// .. math:: \text{Relative Difference} = \frac{x_i^\text{prediction} - x_i^\text{experiment}}{x_i^\text{experiment}} - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state that is used. - /// - /// Returns - /// ------- - /// numpy.ndarray[Float] - #[pyo3(text_signature = "($self, eos)")] - fn relative_difference<'py>( - &self, - eos: &PyEquationOfState, - py: Python<'py>, - ) -> PyResult>> { - Ok(self - .0 - .relative_difference(&eos.0) - .map_err(PyFeosError::from)? - .view() - .to_pyarray(py)) - } - - /// Return the mean absolute relative difference. - /// - /// The mean absolute relative difference is computed as: - /// - /// .. math:: \text{MARD} = \frac{1}{N}\sum_{i=1}^{N} \left|\frac{x_i^\text{prediction} - x_i^\text{experiment}}{x_i^\text{experiment}} \right| - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state that is used. - /// - /// Returns - /// ------- - /// Float - #[pyo3(text_signature = "($self, eos)")] - fn mean_absolute_relative_difference(&self, eos: &PyEquationOfState) -> PyResult { - Ok(self - .0 - .mean_absolute_relative_difference(&eos.0) - .map_err(PyFeosError::from)?) - } - - /// Create a DataSet with experimental data for vapor pressure. - /// - /// Parameters - /// ---------- - /// target : SIArray1 - /// Experimental data for vapor pressure. - /// temperature : SIArray1 - /// Temperature for experimental data points. - /// extrapolate : bool, optional - /// Use Antoine type equation to extrapolate vapor - /// pressure if experimental data is above critial - /// point of model. Defaults to False. - /// critical_temperature : SINumber, optional - /// Estimate of the critical temperature used as initial - /// value for critical point calculation. Defaults to None. - /// For additional information, see note. - /// max_iter : int, optional - /// The maximum number of iterations for critical point - /// and VLE algorithms. - /// tol: float, optional - /// Solution tolerance for critical point - /// and VLE algorithms. - /// verbosity : Verbosity, optional - /// Verbosity for critical point - /// and VLE algorithms. - /// - /// Returns - /// ------- - /// ``DataSet`` - /// - /// Note - /// ---- - /// If no critical temperature is provided, the maximum of the `temperature` input - /// is used. If that fails, the default temperatures of the critical point routine - /// are used. - #[staticmethod] - #[pyo3( - text_signature = "(target, temperature, extrapolate, critical_temperature=None, max_iter=None, tol=None, verbosity=None)" - )] - #[pyo3(signature = (target, temperature, extrapolate, critical_temperature=None, max_iter=None, tol=None, verbosity=None))] - fn vapor_pressure( - target: Pressure>, - temperature: Temperature>, - extrapolate: Option, - critical_temperature: Option, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> Self { - Self(Arc::new(VaporPressure::new( - target, - temperature, - extrapolate.unwrap_or(false), - critical_temperature, - Some((max_iter, tol, verbosity.map(|v| v.into())).into()), - ))) - } - - /// Create a DataSet with experimental data for liquid density. - /// - /// Parameters - /// ---------- - /// target : SIArray1 - /// Experimental data for liquid density. - /// temperature : SIArray1 - /// Temperature for experimental data points. - /// pressure : SIArray1 - /// Pressure for experimental data points. - /// - /// Returns - /// ------- - /// DataSet - #[staticmethod] - #[pyo3(text_signature = "(target, temperature, pressure)")] - fn liquid_density( - target: MassDensity>, - temperature: Temperature>, - pressure: Pressure>, - ) -> Self { - Self(Arc::new(LiquidDensity::new(target, temperature, pressure))) - } - - /// Create a DataSet with experimental data for liquid density - /// for a vapor liquid equilibrium. - /// - /// Parameters - /// ---------- - /// target : SIArray1 - /// Experimental data for liquid density. - /// temperature : SIArray1 - /// Temperature for experimental data points. - /// max_iter : int, optional - /// The maximum number of iterations for critical point - /// and VLE algorithms. - /// tol: float, optional - /// Solution tolerance for critical point - /// and VLE algorithms. - /// verbosity : Verbosity, optional - /// Verbosity for critical point - /// and VLE algorithms. - /// - /// Returns - /// ------- - /// DataSet - #[staticmethod] - #[pyo3(text_signature = "(target, temperature, max_iter=None, tol=None, verbosity=None)")] - #[pyo3(signature = (target, temperature, max_iter=None, tol=None, verbosity=None))] - fn equilibrium_liquid_density( - target: MassDensity>, - temperature: Temperature>, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> Self { - Self(Arc::new(EquilibriumLiquidDensity::new( - target, - temperature, - Some((max_iter, tol, verbosity.map(|v| v.into())).into()), - ))) - } - - /// Create a DataSet with experimental data for binary - /// phase equilibria using the chemical potential residual. - /// - /// Parameters - /// ---------- - /// temperature : SIArray1 - /// Temperature of the experimental data points. - /// pressure : SIArray1 - /// Pressure of the experimental data points. - /// liquid_molefracs : np.array[float] - /// Molar composition of component 1 in the liquid phase. - /// vapor_molefracs : np.array[float] - /// Molar composition of component 1 in the vapor phase. - /// - /// Returns - /// ------- - /// DataSet - #[staticmethod] - #[pyo3(text_signature = "(temperature, pressure, liquid_molefracs, vapor_molefracs)")] - fn binary_vle_chemical_potential( - temperature: Temperature>, - pressure: Pressure>, - liquid_molefracs: &Bound<'_, PyArray1>, - vapor_molefracs: &Bound<'_, PyArray1>, - ) -> Self { - Self(Arc::new(BinaryVleChemicalPotential::new( - temperature, - pressure, - liquid_molefracs.to_owned_array(), - vapor_molefracs.to_owned_array(), - ))) - } - - /// Create a DataSet with experimental data for binary - /// phase equilibria using the pressure residual. - /// - /// Parameters - /// ---------- - /// temperature : SIArray1 - /// Temperature of the experimental data points. - /// pressure : SIArray1 - /// Pressure of the experimental data points. - /// molefracs : np.array[float] - /// Molar composition of component 1 in the considered phase. - /// phase : Phase - /// The phase of the experimental data points. - /// - /// Returns - /// ------- - /// DataSet - #[staticmethod] - #[pyo3(text_signature = "(temperature, pressure, molefracs, phase)")] - fn binary_vle_pressure( - temperature: Temperature>, - pressure: Pressure>, - molefracs: &Bound<'_, PyArray1>, - phase: PyPhase, - ) -> Self { - Self(Arc::new(BinaryVlePressure::new( - temperature, - pressure, - molefracs.to_owned_array(), - phase.into(), - ))) - } - - /// Create a DataSet with experimental data for binary - /// phase diagrams using the distance residual. - /// - /// Parameters - /// ---------- - /// specification : SINumber - /// The constant temperature/pressure of the isotherm/isobar. - /// temperature_or_pressure : SIArray1 - /// The temperature (isobar) or pressure (isotherm) of the - /// experimental data points. - /// liquid_molefracs : np.array[float], optional - /// Molar composition of component 1 in the liquid phase. - /// vapor_molefracs : np.array[float], optional - /// Molar composition of component 1 in the vapor phase. - /// npoints : int, optional - /// The resolution of the phase diagram used to calculate - /// the distance residual. - /// - /// Returns - /// ------- - /// DataSet - #[staticmethod] - #[pyo3( - text_signature = "(specification, temperature_or_pressure, liquid_molefracs=None, vapor_molefracs=None, npoints=None)" - )] - #[pyo3(signature = (specification, temperature_or_pressure, liquid_molefracs=None, vapor_molefracs=None, npoints=None))] - fn binary_phase_diagram( - specification: Bound<'_, PyAny>, - temperature_or_pressure: Bound<'_, PyAny>, - liquid_molefracs: Option<&Bound<'_, PyArray1>>, - vapor_molefracs: Option<&Bound<'_, PyArray1>>, - npoints: Option, - ) -> PyResult { - if let Ok(t) = specification.extract::() { - Ok(Self(Arc::new(BinaryPhaseDiagram::new( - t, - temperature_or_pressure.extract()?, - liquid_molefracs.map(|x| x.to_owned_array()), - vapor_molefracs.map(|x| x.to_owned_array()), - npoints, - )))) - } else if let Ok(p) = specification.extract::() { - Ok(Self(Arc::new(BinaryPhaseDiagram::new( - p, - temperature_or_pressure.extract()?, - liquid_molefracs.map(|x| x.to_owned_array()), - vapor_molefracs.map(|x| x.to_owned_array()), - npoints, - )))) - } else { - Err(PyErr::new::(format!( - "Wrong units! Expected K or Pa, got {}.", - temperature_or_pressure.call_method0("__repr__")? - ))) - } - } - - /// Return `target` as ``SIArray1``. - #[getter] - fn get_target<'py>(&self, py: Python<'py>) -> Bound<'py, PyArray1> { - self.0.target().view().to_pyarray(py) - } - - /// Return number of stored data points. - #[getter] - fn get_datapoints(&self) -> usize { - self.0.datapoints() - } - - fn __repr__(&self) -> PyResult { - Ok(self.0.to_string()) - } -} - -/// A collection of `DataSet`s that can be used to compute metrics for experimental data. -/// -/// Parameters -/// ---------- -/// data : List[DataSet] -/// The properties and experimental data points to add to -/// the estimator. -/// weights : List[float] -/// The weight of each property. When computing the cost function, -/// the weights are normalized (sum of weights equals unity). -/// losses : List[Loss] -/// The loss functions for each property. -/// -/// Returns -/// ------- -/// Estimator -#[pyclass(name = "Estimator")] -pub struct PyEstimator(Estimator>); - -#[pymethods] -impl PyEstimator { - #[new] - #[pyo3(text_signature = "(data, weights, losses)")] - fn new(data: Vec, weights: Vec, losses: Vec) -> Self { - Self(Estimator::new( - data.iter().map(|d| d.0.clone()).collect(), - weights, - losses.iter().map(|&l| l.into()).collect(), - )) - } - - /// Compute the cost function for each ``DataSet``. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state that is used. - /// - /// Returns - /// ------- - /// numpy.ndarray[Float] - /// The cost function evaluated for each experimental data point - /// of each ``DataSet``. - /// - /// Note - /// ---- - /// The cost function is: - /// - /// - The relative difference between prediction and target value, - /// - to which a loss function is applied, - /// - and which is weighted according to the number of datapoints, - /// - and the relative weights as defined in the Estimator object. - #[pyo3(text_signature = "($self, eos)")] - fn cost<'py>( - &self, - eos: &PyEquationOfState, - py: Python<'py>, - ) -> PyResult>> { - Ok(self - .0 - .cost(&eos.0) - .map_err(PyFeosError::from)? - .view() - .to_pyarray(py)) - } - - /// Return the properties as computed by the - /// equation of state for each `DataSet`. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state that is used. - /// - /// Returns - /// ------- - /// List[SIArray1] - #[pyo3(text_signature = "($self, eos)")] - fn predict<'py>( - &self, - eos: &PyEquationOfState, - py: Python<'py>, - ) -> PyResult>>> { - Ok(self - .0 - .predict(&eos.0) - .map_err(PyFeosError::from)? - .iter() - .map(|d| d.view().to_pyarray(py)) - .collect()) - } - - /// Return the relative difference between experimental data - /// and prediction of the equation of state for each ``DataSet``. - /// - /// The relative difference is computed as: - /// - /// .. math:: \text{Relative Difference} = \frac{x_i^\text{prediction} - x_i^\text{experiment}}{x_i^\text{experiment}} - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state that is used. - /// - /// Returns - /// ------- - /// List[numpy.ndarray[Float]] - #[pyo3(text_signature = "($self, eos)")] - fn relative_difference<'py>( - &self, - eos: &PyEquationOfState, - py: Python<'py>, - ) -> PyResult>>> { - Ok(self - .0 - .relative_difference(&eos.0) - .map_err(PyFeosError::from)? - .iter() - .map(|d| d.view().to_pyarray(py)) - .collect()) - } - - /// Return the mean absolute relative difference for each ``DataSet``. - /// - /// The mean absolute relative difference is computed as: - /// - /// .. math:: \text{MARD} = \frac{1}{N}\sum_{i=1}^{N} \left|\frac{x_i^\text{prediction} - x_i^\text{experiment}}{x_i^\text{experiment}} \right| - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state that is used. - /// - /// Returns - /// ------- - /// numpy.ndarray[Float] - #[pyo3(text_signature = "($self, eos)")] - fn mean_absolute_relative_difference<'py>( - &self, - eos: &PyEquationOfState, - py: Python<'py>, - ) -> PyResult>> { - Ok(self - .0 - .mean_absolute_relative_difference(&eos.0) - .map_err(PyFeosError::from)? - .view() - .to_pyarray(py)) - } - - /// Return the stored ``DataSet``s. - /// - /// Returns - /// ------- - /// List[DataSet] - #[getter] - fn get_datasets(&self) -> Vec { - self.0.datasets().iter().cloned().map(PyDataSet).collect() - } - - fn _repr_markdown_(&self) -> String { - self.0._repr_markdownn_() - } - - fn __repr__(&self) -> PyResult { - Ok(self.0.to_string()) - } -} - -#[pymethods] -impl PyDataSet { - /// Create a DataSet with experimental data for viscosity. - /// - /// Parameters - /// ---------- - /// target : SIArray1 - /// Experimental data for viscosity. - /// temperature : SIArray1 - /// Temperature for experimental data points. - /// pressure : SIArray1 - /// Pressure for experimental data points. - /// phase : List[Phase], optional - /// Phase of data. Used to determine the starting - /// density for the density iteration. If provided, - /// resulting states may not be stable. - /// - /// Returns - /// ------- - /// DataSet - #[staticmethod] - #[pyo3(text_signature = "(target, temperature, pressure, phase=None)")] - #[pyo3(signature = (target, temperature, pressure, phase=None))] - fn viscosity( - target: quantity::Viscosity>, - temperature: Temperature>, - pressure: Pressure>, - phase: Option>, - ) -> Self { - let p = phase.map(|p| (p.into_iter().map(|p| p.into()).collect())); - Self(Arc::new(feos::estimator::Viscosity::new( - target, - temperature, - pressure, - p.as_ref(), - ))) - } - - /// Create a DataSet with experimental data for thermal conductivity. - /// - /// Parameters - /// ---------- - /// target : SIArray1 - /// Experimental data for thermal conductivity. - /// temperature : SIArray1 - /// Temperature for experimental data points. - /// pressure : SIArray1 - /// Pressure for experimental data points. - /// phase : List[Phase], optional - /// Phase of data. Used to determine the starting - /// density for the density iteration. If provided, - /// resulting states may not be stable. - /// - /// Returns - /// ------- - /// DataSet - #[staticmethod] - #[pyo3(text_signature = "(target, temperature, pressure, phase=None)")] - #[pyo3(signature = (target, temperature, pressure, phase=None))] - fn thermal_conductivity( - target: quantity::ThermalConductivity>, - temperature: Temperature>, - pressure: Pressure>, - phase: Option>, - ) -> Self { - let p = phase.map(|p| (p.into_iter().map(|p| p.into()).collect())); - Self(Arc::new(feos::estimator::ThermalConductivity::new( - target, - temperature, - pressure, - p.as_ref(), - ))) - } - - /// Create a DataSet with experimental data for diffusion coefficient. - /// - /// Parameters - /// ---------- - /// target : SIArray1 - /// Experimental data for diffusion coefficient. - /// temperature : SIArray1 - /// Temperature for experimental data points. - /// pressure : SIArray1 - /// Pressure for experimental data points. - /// phase : List[Phase], optional - /// Phase of data. Used to determine the starting - /// density for the density iteration. If provided, - /// resulting states may not be stable. - /// - /// Returns - /// ------- - /// DataSet - #[staticmethod] - #[pyo3(text_signature = "(target, temperature, pressure, phase=None)")] - #[pyo3(signature = (target, temperature, pressure, phase=None))] - fn diffusion( - target: quantity::Diffusivity>, - temperature: Temperature>, - pressure: Pressure>, - phase: Option>, - ) -> Self { - let p = phase.map(|p| (p.into_iter().map(|p| p.into()).collect())); - Self(Arc::new(Diffusion::new( - target, - temperature, - pressure, - p.as_ref(), - ))) - } -} diff --git a/py-feos/src/ideal_gas.rs b/py-feos/src/ideal_gas.rs deleted file mode 100644 index 75f2cab82..000000000 --- a/py-feos/src/ideal_gas.rs +++ /dev/null @@ -1,21 +0,0 @@ -//! Collection of ideal gas models. -use crate::user_defined::PyIdealGas; -use feos::ideal_gas::{Dippr, Joback}; -use feos_core::IdealGas; -use feos_derive::IdealGas; -use num_dual::DualNum; -use std::sync::Arc; - -/// Collection of different [IdealGas] implementations. -/// -/// Particularly relevant for situations in which generic types -/// are undesirable (e.g. FFI). -#[derive(IdealGas, Clone)] -pub enum IdealGasModel { - NoModel, - Joback(Joback), - Dippr(Dippr), - #[cfg(feature = "multiparameter")] - MultiParameter(feos::multiparameter::MultiParameterIdealGas), - Python(Arc), -} diff --git a/py-feos/src/lib.rs b/py-feos/src/lib.rs deleted file mode 100644 index 0886c3eb0..000000000 --- a/py-feos/src/lib.rs +++ /dev/null @@ -1,229 +0,0 @@ -#![warn(clippy::all)] -#![warn(clippy::allow_attributes)] -use feos_core::Verbosity; -use pyo3::prelude::*; - -#[cfg(feature = "ad")] -pub(crate) mod ad; -#[cfg(feature = "dft")] -pub(crate) mod dft; -pub(crate) mod eos; -pub(crate) mod error; -// pub(crate) mod estimator; -pub(crate) mod ideal_gas; -pub(crate) mod parameter; -pub(crate) mod phase_equilibria; -pub(crate) mod residual; -pub(crate) mod state; -pub(crate) mod user_defined; - -/// Output level for phase equilibrium solvers. -#[derive(Debug, Clone, Copy, PartialEq)] -#[pyclass(name = "Verbosity", eq, eq_int)] -pub(crate) enum PyVerbosity { - /// Do not print output. - None, - /// Print information about the success of failure of the iteration. - Result, - /// Print a detailed outpur for every iteration. - Iter, -} - -impl From for PyVerbosity { - fn from(value: Verbosity) -> Self { - use Verbosity::*; - match value { - None => Self::None, - Result => Self::Result, - Iter => Self::Iter, - } - } -} - -impl From for Verbosity { - fn from(value: PyVerbosity) -> Self { - use PyVerbosity::*; - match value { - None => Self::None, - Result => Self::Result, - Iter => Self::Iter, - } - } -} - -#[cfg(feature = "rayon")] -mod rayon_features { - use pyo3::exceptions::{PyRuntimeError, PyUserWarning}; - use pyo3::prelude::*; - use std::ffi::CString; - - /// Reads the `FEOS_MAX_THREADS` environment variable and, if present, - /// initializes the global Rayon thread pool with that many threads. - /// Called automatically at module import time. - pub fn rayon_threads_from_env() { - if let Some(n) = std::env::var("FEOS_MAX_THREADS") - .ok() - .and_then(|s| s.parse::().ok()) - { - let _ = rayon::ThreadPoolBuilder::new() - .num_threads(n) - .build_global(); - } - } - - #[pyfunction] - /// Set the number of threads used for any parallel calculations. - /// - /// Must be called before any parallel computation is performed and - /// before the `FEOS_MAX_THREADS` environment variable takes effect. - /// If the thread pool has already been initialized — either - /// because `FEOS_MAX_THREADS` was set at import time or because a - /// parallel function has already run — this call has no effect and - /// a warning is emitted. - /// - /// Args: - /// n (int): Number of threads. Pass `0` to use the default - /// (number of logical CPUs). - /// - /// Example: - /// >>> import feos - /// >>> feos.set_num_threads(4) - pub fn set_num_threads(py: Python<'_>, n: usize) -> PyResult<()> { - match rayon::ThreadPoolBuilder::new() - .num_threads(n) - .build_global() - { - Ok(_) => Ok(()), - Err(_) => { - // build useful warning - let current = rayon::current_num_threads(); - let reason = if std::env::var("FEOS_MAX_THREADS").is_ok() { - format!( - "FEOS_MAX_THREADS is set. \ - The thread pool was already initialized with {} thread(s) \ - (probably configured at import time). \ - To change this, set FEOS_MAX_THREADS before starting Python.", - current - ) - } else { - format!( - "The thread pool was already initialized with {} thread(s) \ - Call set_num_threads() before any parallel work or set \ - FEOS_MAX_THREADS before starting Python.", - current - ) - }; - - let msg = - CString::new(format!("set_num_threads({}) without effect: {}", n, reason)) - .map_err(|e| PyRuntimeError::new_err(e.to_string()))?; - PyErr::warn(py, &py.get_type::(), &msg, 1) - } - } - } - - #[pyfunction] - /// Return the number of threads in the thread pool. - /// - /// If the thread pool has not yet been initialized, calling this - /// function will trigger initialization with the default - /// (number of logical CPUs), making any subsequent call to - /// `set_num_threads()` ineffective. - /// - /// Returns: - /// int: Number of threads currently configured. - /// - /// Example: - /// >>> import feos - /// >>> feos.get_num_threads() - /// 8 - pub fn get_num_threads() -> usize { - rayon::current_num_threads() - } -} - -#[pymodule] -fn feos(m: &Bound<'_, PyModule>) -> PyResult<()> { - m.add("__version__", env!("CARGO_PKG_VERSION"))?; - - #[cfg(feature = "rayon")] - { - rayon_features::rayon_threads_from_env(); - m.add_function(wrap_pyfunction!(rayon_features::set_num_threads, m)?)?; - m.add_function(wrap_pyfunction!(rayon_features::get_num_threads, m)?)?; - } - - // Utility - m.add_class::()?; - - // State & phase equilibria. - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - - // Parameter - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - - // Equation of state - m.add_class::()?; - - // // Estimator - // m.add_class::()?; - // m.add_class::()?; - // m.add_class::()?; - // m.add_class::()?; - - // AD - #[cfg(feature = "ad")] - { - m.add_function(wrap_pyfunction!(ad::vapor_pressure_derivatives, m)?)?; - m.add_function(wrap_pyfunction!(ad::liquid_density_derivatives, m)?)?; - m.add_function(wrap_pyfunction!( - ad::equilibrium_liquid_density_derivatives, - m - )?)?; - m.add_function(wrap_pyfunction!(ad::bubble_point_pressure_derivatives, m)?)?; - m.add_function(wrap_pyfunction!(ad::dew_point_pressure_derivatives, m)?)?; - m.add_class::()?; - } - - #[cfg(feature = "dft")] - { - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - - // Solver - m.add_class::()?; - m.add_class::()?; - - // Adsorption - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - m.add_class::()?; - - // Interface - m.add_class::()?; - m.add_class::()?; - - // Solvation - m.add_class::()?; - m.add_class::()?; - } - Ok(()) -} diff --git a/py-feos/src/parameter/chemical_record.rs b/py-feos/src/parameter/chemical_record.rs deleted file mode 100644 index b086a0f0f..000000000 --- a/py-feos/src/parameter/chemical_record.rs +++ /dev/null @@ -1,120 +0,0 @@ -use super::fragmentation::{fragment_molecule, PySmartsRecord}; -use super::identifier::{PyIdentifier, PyIdentifierOption}; -use crate::error::PyFeosError; -use feos_core::parameter::{ChemicalRecord, Identifier}; -use pyo3::exceptions::PyValueError; -use pyo3::prelude::*; -use serde::{Deserialize, Serialize}; - -/// Information about segments and bonds of a molecule. -#[pyclass(name = "ChemicalRecord")] -#[derive(Deserialize, Serialize, Debug, Clone)] -pub(crate) struct PyChemicalRecord(ChemicalRecord); - -impl From for PyChemicalRecord { - fn from(value: ChemicalRecord) -> Self { - Self(value) - } -} - -impl From for ChemicalRecord { - fn from(value: PyChemicalRecord) -> Self { - value.0 - } -} - -#[pymethods] -impl PyChemicalRecord { - #[new] - #[pyo3(text_signature = "(identifier, segments, bonds=None)", signature = (identifier, segments, bonds=None))] - fn py_new( - identifier: PyIdentifier, - segments: Vec, - bonds: Option>, - ) -> Self { - Self(ChemicalRecord::new(identifier.0, segments, bonds)) - } - - fn __repr__(&self) -> PyResult { - Ok(self.0.to_string()) - } - - #[getter] - fn get_identifier(&self) -> PyIdentifier { - PyIdentifier(self.0.identifier.clone()) - } - - #[getter] - fn get_segments(&self) -> Vec { - self.0.segments.clone() - } - - #[getter] - fn get_bonds(&self) -> Vec<[usize; 2]> { - self.0.bonds.clone() - } - - /// Read a list of [ChemicalRecord]s from a JSON file. - /// - /// Parameters - /// ---------- - /// substances : list[str] - /// List of component identifiers. - /// path : str - /// Path to file containing the segment records. - /// identifier_option : IdentifierOption - /// The type of identifier used in the substance list. - /// - /// Returns - /// ------- - /// [SegmentRecord] - #[staticmethod] - pub fn from_json( - substances: Vec, - file: &str, - identifier_option: PyIdentifierOption, - ) -> PyResult> { - Ok( - ChemicalRecord::from_json(&substances, file, identifier_option.into()) - .map_err(PyFeosError::from)? - .into_iter() - .map(|r| r.into()) - .collect(), - ) - } - - #[staticmethod] - pub fn from_smiles( - identifier: &Bound<'_, PyAny>, - smarts: Vec, - ) -> PyResult { - let py = identifier.py(); - let identifier = if let Ok(smiles) = identifier.extract::() { - Identifier::new(None, None, None, Some(&smiles), None, None) - } else if let Ok(identifier) = identifier.extract::() { - identifier.0 - } else { - return Err(PyErr::new::( - "`identifier` must be a SMILES code or `Identifier` object.".to_string(), - )); - }; - let smiles = identifier - .smiles - .as_ref() - .expect("Missing SMILES in `Identifier`"); - let (segments, bonds) = fragment_molecule(py, smiles, smarts)?; - let segments = segments.into_iter().map(|s| s.to_owned()).collect(); - Ok(Self(ChemicalRecord::new(identifier, segments, Some(bonds)))) - } - - /// Creates record from json string. - #[staticmethod] - fn from_json_str(json: &str) -> PyResult { - Ok(serde_json::from_str(json).map_err(PyFeosError::from)?) - } - - /// Creates a json string from record. - fn to_json_str(&self) -> PyResult { - Ok(serde_json::to_string(&self).map_err(PyFeosError::from)?) - } -} diff --git a/py-feos/src/parameter/fragmentation.rs b/py-feos/src/parameter/fragmentation.rs deleted file mode 100644 index b011f9fc5..000000000 --- a/py-feos/src/parameter/fragmentation.rs +++ /dev/null @@ -1,183 +0,0 @@ -use pyo3::exceptions::PyValueError; -use pyo3::prelude::*; -use serde::{Deserialize, Serialize}; -use std::collections::{HashMap, HashSet}; -use std::fs::File; -use std::io::BufReader; - -use crate::error::PyFeosError; - -/// SMARTS code, required to fragmentize molecules into segments. -#[derive(Clone, Serialize, Deserialize)] -#[pyclass(name = "SmartsRecord")] -pub(crate) struct PySmartsRecord { - group: String, - smarts: String, - #[serde(skip_serializing_if = "Option::is_none")] - max: Option, -} - -#[pymethods] -impl PySmartsRecord { - #[new] - #[pyo3(text_signature = "(group, smarts, max=None)", signature = (group, smarts, max=None))] - fn new(group: String, smarts: String, max: Option) -> Self { - Self { group, smarts, max } - } - - fn __repr__(&self) -> PyResult { - Ok(self.to_string()) - } - - /// Creates record from json string. - #[staticmethod] - fn from_json_str(json: &str) -> PyResult { - Ok(serde_json::from_str(json).map_err(PyFeosError::from)?) - } - - /// Creates a json string from record. - fn to_json_str(&self) -> PyResult { - Ok(serde_json::to_string(&self).map_err(PyFeosError::from)?) - } - - /// Read a list of [SmartsRecord]s from a JSON file. - /// - /// Parameters - /// ---------- - /// path : str - /// Path to file containing the SMARTS records. - /// - /// Returns - /// ------- - /// [SmartsRecord] - #[staticmethod] - #[pyo3(text_signature = "(path)")] - pub fn from_json(path: &str) -> PyResult> { - Ok( - serde_json::from_reader(BufReader::new(File::open(path)?)) - .map_err(PyFeosError::from)?, - ) - } -} - -impl std::fmt::Display for PySmartsRecord { - fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result { - write!( - f, - "SmartsRecord(group={}, smarts={}", - self.group, self.smarts - )?; - if let Some(max) = self.max { - write!(f, ", max={max}")?; - } - write!(f, ")") - } -} - -pub(crate) fn fragment_molecule( - py: Python<'_>, - smiles: &str, - smarts: Vec, -) -> PyResult<(Vec, Vec<[usize; 2]>)> { - let chem = py.import("rdkit.Chem")?; - let mol = chem.call_method1("MolFromSmiles", (smiles,))?; - let atoms = mol.call_method0("GetNumHeavyAtoms")?.extract::()?; - - // find the location of all fragment using the given smarts - let mut matches: HashMap<_, _> = smarts - .into_iter() - .map(|s| { - let m = chem.call_method1("MolFromSmarts", (s.smarts,))?; - let matches = mol - .call_method1("GetSubstructMatches", (m,))? - .extract::>>()?; - let mut matches: Vec<_> = matches - .into_iter() - .map(|m| m.extract::>()) - .collect::>()?; - // Instead of just throwing an error at this point, just try to continue with the first max - // occurrences. For some cases (the ethers) this just means that the symetry of C-O-C is broken. - // If a necessary segment is eliminated the error will be thrown later. - if let Some(max) = s.max - && matches.len() > max - { - matches = matches[..max].to_vec(); - } - Ok((s.group, matches)) - }) - .collect::>()?; - - // Filter small segments that are covered by larger segments (also only required by the weird - // ether groups of Sauer et al.) - let large_segments: HashSet<_> = matches - .values() - .flatten() - .filter(|m| m.len() > 1) - .flatten() - .copied() - .collect(); - matches - .iter_mut() - .for_each(|(_, m)| m.retain(|m| !(m.len() == 1 && large_segments.contains(&m[0])))); - - let bonds = mol.call_method0("GetBonds")?; - let builtins = py.import("builtins")?; - let bonds = builtins - .call_method1("list", (bonds,))? - .extract::>>()?; - let bonds: Vec<_> = bonds - .into_iter() - .map(|b| { - Ok([ - b.call_method0("GetBeginAtomIdx")?.extract::()?, - b.call_method0("GetEndAtomIdx")?.extract::()?, - ]) - }) - .collect::>()?; - - convert_matches(atoms, matches, bonds) -} - -pub(crate) fn convert_matches( - atoms: usize, - matches: HashMap>>, - bonds: Vec<[usize; 2]>, -) -> PyResult<(Vec, Vec<[usize; 2]>)> { - // check if every atom is captured by exactly one fragment - let identified_atoms: Vec<_> = matches - .values() - .flat_map(|v| v.iter().flat_map(|l| l.iter())) - .collect(); - let unique_atoms: HashSet<_> = identified_atoms.iter().collect(); - if unique_atoms.len() == identified_atoms.len() && unique_atoms.len() == atoms { - // Translate the atom indices to segment indices (some segments contain more than one atom) - let mut segment_indices: Vec<_> = matches - .into_iter() - .flat_map(|(group, l)| { - l.into_iter().map(move |mut k| { - k.sort(); - (k, group.clone()) - }) - }) - .collect(); - segment_indices.sort(); - - let segment_map: Vec<_> = segment_indices - .iter() - .enumerate() - .flat_map(|(i, (k, _))| k.iter().map(move |_| i)) - .collect(); - let segments: Vec<_> = segment_indices.into_iter().map(|(_, g)| g).collect(); - - let bonds: Vec<_> = bonds - .into_iter() - .map(|[a, b]| [segment_map[a], segment_map[b]]) - .filter(|[a, b]| a != b) - .collect(); - return Ok((segments, bonds)); - } - - Err(PyErr::new::( - "Molecule cannot be built from groups!", - )) -} diff --git a/py-feos/src/parameter/identifier.rs b/py-feos/src/parameter/identifier.rs deleted file mode 100644 index 4baf195db..000000000 --- a/py-feos/src/parameter/identifier.rs +++ /dev/null @@ -1,103 +0,0 @@ -use feos_core::parameter::{Identifier, IdentifierOption}; -use pyo3::prelude::*; -use serde::{Deserialize, Serialize}; - -/// Identifier to match on while reading parameters from files. -#[pyclass(name = "IdentifierOption", eq, eq_int)] -#[derive(Serialize, Deserialize, Debug, Clone, Copy, PartialEq)] -pub enum PyIdentifierOption { - Cas, - Name, - IupacName, - Smiles, - Inchi, - Formula, -} - -impl From for PyIdentifierOption { - fn from(value: IdentifierOption) -> Self { - use IdentifierOption::*; - match value { - Cas => Self::Cas, - Name => Self::Name, - IupacName => Self::IupacName, - Smiles => Self::Smiles, - Inchi => Self::Inchi, - Formula => Self::Formula, - } - } -} - -impl From for IdentifierOption { - fn from(value: PyIdentifierOption) -> Self { - use PyIdentifierOption::*; - match value { - Cas => Self::Cas, - Name => Self::Name, - IupacName => Self::IupacName, - Smiles => Self::Smiles, - Inchi => Self::Inchi, - Formula => Self::Formula, - } - } -} - -/// Different common identifiers for chemicals. -#[pyclass(name = "Identifier")] -#[derive(Debug, Clone, Serialize, Deserialize)] -pub struct PyIdentifier(pub Identifier); - -#[pymethods] -impl PyIdentifier { - #[new] - #[pyo3( - text_signature = "(cas=None, name=None, iupac_name=None, smiles=None, inchi=None, formula=None)", - signature = (cas=None, name=None, iupac_name=None, smiles=None, inchi=None, formula=None) - )] - fn py_new( - cas: Option<&str>, - name: Option<&str>, - iupac_name: Option<&str>, - smiles: Option<&str>, - inchi: Option<&str>, - formula: Option<&str>, - ) -> Self { - Self(Identifier::new( - cas, name, iupac_name, smiles, inchi, formula, - )) - } - - #[getter] - fn get_cas(&self) -> Option { - self.0.cas.clone() - } - - #[getter] - fn get_name(&self) -> Option { - self.0.name.clone() - } - - #[getter] - fn get_iupac_name(&self) -> Option { - self.0.iupac_name.clone() - } - - #[getter] - fn get_smiles(&self) -> Option { - self.0.smiles.clone() - } - - #[getter] - fn get_inchi(&self) -> Option { - self.0.inchi.clone() - } - - #[getter] - fn get_formula(&self) -> Option { - self.0.formula.clone() - } - - fn __repr__(&self) -> String { - self.0.to_string() - } -} diff --git a/py-feos/src/parameter/mod.rs b/py-feos/src/parameter/mod.rs deleted file mode 100644 index 115f8f79a..000000000 --- a/py-feos/src/parameter/mod.rs +++ /dev/null @@ -1,811 +0,0 @@ -use crate::error::PyFeosError; -use feos_core::parameter::*; -use indexmap::IndexSet; -use pyo3::prelude::*; -use pyo3::types::PyDict; -use pythonize::depythonize; -use serde::{Deserialize, Serialize}; -use serde_json::Value; -use std::fmt::Write; - -mod chemical_record; -mod fragmentation; -mod identifier; -mod model_record; -mod segment; - -// Export for wheel. -pub(crate) use chemical_record::PyChemicalRecord; -pub(crate) use fragmentation::PySmartsRecord; -pub(crate) use identifier::{PyIdentifier, PyIdentifierOption}; -pub(crate) use model_record::{PyBinaryRecord, PyPureRecord}; -pub(crate) use segment::{PyBinarySegmentRecord, PySegmentRecord}; - -/// Set of parameters that fully characterizes a mixture. -#[pyclass(name = "Parameters")] -#[derive(Clone, Serialize, Deserialize)] -pub struct PyParameters { - pub pure_records: Vec>, - pub binary_records: Vec>, -} - -impl PyParameters { - pub fn try_convert(self) -> PyResult> - where - for<'de> P: Deserialize<'de> + Clone, - for<'de> B: Deserialize<'de> + Clone, - for<'de> A: Deserialize<'de> + CombiningRule

+ Clone, - { - let pure_records = self - .pure_records - .into_iter() - .map(|r| Ok(serde_json::from_value(serde_json::to_value(r)?)?)) - .collect::>()?; - let binary_records = self - .binary_records - .into_iter() - .map(|r| { - // Explicitly parse model record - // Needed for returning error if parsing fails instead of returning None - let model_record = match r.model_record { - Some(v) => Some(serde_json::from_value::(v)?), - None => None, - }; - - let association_sites = r - .association_sites - .into_iter() - .map(|site| { - Ok(serde_json::from_value::>( - serde_json::to_value(site)?, - )?) - }) - .collect::, PyFeosError>>()?; - - Ok(BinaryRecord { - id1: r.id1, - id2: r.id2, - model_record, - association_sites, - }) - }) - .collect::>()?; - Ok(Parameters::new(pure_records, binary_records).map_err(PyFeosError::from)?) - } -} - -#[pymethods] -impl PyParameters { - /// Creates parameters from records. - /// - /// Parameters - /// ---------- - /// pure_records : List[PureRecord] - /// A list of pure component parameters. - /// binary_records : List[BinaryRecord], optional, defaults to [] - /// A list containing records for binary interactions. - /// identifier_option : IdentifierOption, optional, defaults to IdentifierOption.Name - /// Identifier that is used to search binary records. - #[staticmethod] - #[pyo3( - signature = (pure_records, binary_records=vec![], identifier_option=PyIdentifierOption::Name), - text_signature = "(pure_records, binary_records=[], identifier_option=IdentifierOption.Name)" - )] - fn from_records( - pure_records: Vec, - binary_records: Vec, - identifier_option: PyIdentifierOption, - ) -> PyResult { - let pure_records: Vec<_> = pure_records.into_iter().map(PureRecord::from).collect(); - let binary_records: Vec<_> = binary_records.into_iter().map(BinaryRecord::from).collect(); - let binary_records = Parameters::binary_matrix_from_records( - &pure_records, - &binary_records, - identifier_option.into(), - ) - .map_err(PyFeosError::from)?; - Ok(Self { - pure_records, - binary_records, - }) - } - - /// Creates parameters for a pure component from a pure record. - /// - /// Parameters - /// ---------- - /// pure_record : PureRecord - /// The pure component parameters. - #[staticmethod] - fn new_pure(pure_record: PyPureRecord) -> Self { - Self { - pure_records: vec![pure_record.into()], - binary_records: vec![], - } - } - - /// Creates parameters for a binary system from pure records and an optional - /// binary interaction parameter or binary interaction parameter record. - /// - /// Parameters - /// ---------- - /// pure_records : [PureRecord] - /// A list of pure component parameters. - /// binary_parameters : float or BinaryRecord, optional - /// The binary interaction parameter or binary interaction record. - #[staticmethod] - #[pyo3(signature = (pure_records, **binary_parameters))] - fn new_binary( - pure_records: [PyPureRecord; 2], - binary_parameters: Option<&Bound<'_, PyDict>>, - ) -> PyResult { - let pure_records = pure_records.into_iter().map(|r| r.into()).collect(); - let binary_records = binary_parameters - .iter() - .map(|binary_parameters| { - binary_parameters.set_item("id1", 0)?; - binary_parameters.set_item("id2", 1)?; - depythonize(binary_parameters) - }) - .collect::>()?; - Ok(Self { - pure_records, - binary_records, - }) - } - - /// Creates parameters from json files. - /// - /// Parameters - /// ---------- - /// substances : List[str] - /// The substances to search. - /// pure_path : str - /// Path to file containing pure substance parameters. - /// binary_path : str, optional - /// Path to file containing binary substance parameters. - /// identifier_option : IdentifierOption, optional, defaults to IdentifierOption.Name - /// Identifier that is used to search substance. - #[staticmethod] - #[pyo3( - signature = (substances, pure_path, binary_path=None, identifier_option=PyIdentifierOption::Name), - text_signature = "(substances, pure_path, binary_path=None, identifier_option)" - )] - fn from_json( - substances: Vec, - pure_path: String, - binary_path: Option, - identifier_option: PyIdentifierOption, - ) -> PyResult { - Self::from_multiple_json( - vec![(substances, pure_path)], - binary_path, - identifier_option, - ) - } - - /// Creates parameters from json files. - /// - /// Parameters - /// ---------- - /// input : List[Tuple[List[str], str]] - /// The substances to search and their respective parameter files. - /// E.g. [(["methane", "propane"], "parameters/alkanes.json"), (["methanol"], "parameters/alcohols.json")] - /// binary_path : str, optional - /// Path to file containing binary substance parameters. - /// identifier_option : IdentifierOption, optional, defaults to IdentifierOption.Name - /// Identifier that is used to search substance. - #[staticmethod] - #[pyo3( - signature = (input, binary_path=None, identifier_option=PyIdentifierOption::Name), - text_signature = "(input, binary_path=None, identifier_option)" - )] - fn from_multiple_json( - input: Vec<(Vec, String)>, - binary_path: Option, - identifier_option: PyIdentifierOption, - ) -> PyResult { - let pure_records = PureRecord::from_multiple_json(&input, identifier_option.into()) - .map_err(PyFeosError::from)?; - let binary_records: Vec<_> = binary_path - .map_or_else(|| Ok(Vec::new()), BinaryRecord::from_json) - .map_err(PyFeosError::from)?; - let binary_records = Parameters::binary_matrix_from_records( - &pure_records, - &binary_records, - identifier_option.into(), - ) - .map_err(PyFeosError::from)?; - Ok(Self { - pure_records, - binary_records, - }) - } - - /// Generates JSON-formatted string for pure and binary records (if initialized). - /// - /// Parameters - /// ---------- - /// pretty : bool - /// Whether to use pretty (True) or dense (False) formatting. Defaults to True. - /// - /// Returns - /// ------- - /// str : The JSON-formatted string. - #[pyo3( - signature = (pretty=true), - text_signature = "(pretty=True)" - )] - fn to_json_str(&self, pretty: bool) -> PyResult<(String, Option)> { - let pr_json = if pretty { - serde_json::to_string_pretty(&self.pure_records) - } else { - serde_json::to_string(&self.pure_records) - } - .map_err(PyFeosError::from)?; - let br_json = (!self.binary_records.is_empty()) - .then(|| { - if pretty { - serde_json::to_string_pretty(&self.binary_records) - } else { - serde_json::to_string(&self.binary_records) - } - }) - .transpose() - .map_err(PyFeosError::from)?; - Ok((pr_json, br_json)) - } - - #[getter] - fn get_pure_records(&self) -> Vec { - self.pure_records - .iter() - .map(|pr| PyPureRecord::from(pr.clone())) - .collect() - } - - fn __repr__(&self) -> PyResult { - let (mut pr, br) = self.to_json_str(true)?; - if let Some(br) = br { - pr += "\n\n"; - pr += &br; - } - Ok(pr) - } - - fn _repr_markdown_(&self) -> String { - // crate consistent list of component names - let component_names: Vec<_> = self - .pure_records - .iter() - .enumerate() - .map(|(i, r)| { - r.identifier - .as_readable_str() - .map_or_else(|| format!("Component {}", i + 1), |s| s.to_owned()) - }) - .collect(); - - let format_optional = |o: &mut String, val| { - if let Some(val) = val { - write!(o, "{val}|") - } else { - write!(o, "|") - } - .unwrap(); - }; - - // collect all pure component parameters - let params: IndexSet<_> = self - .pure_records - .iter() - .flat_map(|r| r.model_record.as_object().unwrap().keys()) - .collect(); - - // collect association parameters and count the association sites - let [mut na, mut nb, mut nc] = [0.0; 3]; - let mut assoc_params = IndexSet::new(); - let mut site_names = false; - for r in &self.pure_records { - for s in &r.association_sites { - site_names |= !s.id.is_empty(); - na += s.na; - nb += s.nb; - nc += s.nc; - if let Some(p) = &s.parameters { - assoc_params.extend(p.as_object().unwrap().keys()); - } - } - } - - let mut output = String::new(); - let o = &mut output; - - // print pure component parameters in a table - write!(o, "|component|molarweight|").unwrap(); - for p in ¶ms { - write!(o, "{p}|").unwrap(); - } - if na + nb + nc > 0.0 { - if site_names { - write!(o, "sites|").unwrap(); - } - if na > 0.0 { - write!(o, "na|").unwrap(); - } - if nb > 0.0 { - write!(o, "nb|").unwrap(); - } - if nc > 0.0 { - write!(o, "nc|").unwrap(); - } - for p in &assoc_params { - write!(o, "{p}|").unwrap(); - } - } - write!(o, "\n|-|-|").unwrap(); - for _ in ¶ms { - write!(o, "-|").unwrap(); - } - if na + nb + nc > 0.0 { - if site_names { - write!(o, "-|").unwrap(); - } - if na > 0.0 { - write!(o, "-|").unwrap(); - } - if nb > 0.0 { - write!(o, "-|").unwrap(); - } - if nc > 0.0 { - write!(o, "-|").unwrap(); - } - for _ in &assoc_params { - write!(o, "-|").unwrap(); - } - } - for (record, comp) in self.pure_records.iter().zip(&component_names) { - write!(o, "\n|{}|{}|", comp, record.molarweight).unwrap(); - let model_record = record.model_record.as_object().unwrap(); - for &p in ¶ms { - format_optional(o, model_record.get(p)); - } - if !record.association_sites.is_empty() { - let s = &record.association_sites[0]; - if na + nb + nc > 0.0 { - if site_names { - write!(o, "{}|", s.id).unwrap(); - } - if na > 0.0 { - if s.na > 0.0 { - write!(o, "{}|", s.na).unwrap(); - } else { - write!(o, "|").unwrap(); - } - } - if nb > 0.0 { - if s.nb > 0.0 { - write!(o, "{}|", s.nb).unwrap(); - } else { - write!(o, "|").unwrap(); - } - } - if nc > 0.0 { - if s.nc > 0.0 { - write!(o, "{}|", s.nc).unwrap(); - } else { - write!(o, "|").unwrap(); - } - } - for &p in &assoc_params { - if let Some(par) = &s.parameters { - let assoc_record = par.as_object().unwrap(); - format_optional(o, assoc_record.get(p)); - } - } - } - } - for s in record.association_sites.iter().skip(1) { - write!(o, "\n|||").unwrap(); - for &_ in ¶ms { - write!(o, "|").unwrap(); - } - if na + nb + nc > 0.0 { - if site_names { - write!(o, "{}|", s.id).unwrap(); - } - if na > 0.0 { - write!(o, "{}|", s.na).unwrap(); - } - if nb > 0.0 { - write!(o, "{}|", s.nb).unwrap(); - } - if nc > 0.0 { - write!(o, "{}|", s.nc).unwrap(); - } - for &p in &assoc_params { - if let Some(par) = &s.parameters { - let assoc_record = par.as_object().unwrap(); - format_optional(o, assoc_record.get(p)); - } - } - } - } - } - - if !self.binary_records.is_empty() { - // collect all binary interaction parameters - let params: IndexSet<_> = self - .binary_records - .iter() - .flat_map(|r| { - r.model_record - .iter() - .flat_map(|r| r.as_object().unwrap().keys()) - }) - .collect(); - // collect all binary association parameters - let assoc_params: IndexSet<_> = self - .binary_records - .iter() - .flat_map(|r| { - r.association_sites - .iter() - .flat_map(|s| s.parameters.as_object().unwrap().keys()) - }) - .collect(); - - // print binary interaction parameters - write!(o, "\n\n|component 1|component 2|").unwrap(); - for p in ¶ms { - write!(o, "{p}|").unwrap(); - } - if !assoc_params.is_empty() { - if site_names { - write!(o, "site 1| site 2|").unwrap(); - } - for p in &assoc_params { - write!(o, "{p}|").unwrap(); - } - } - write!(o, "\n|-|-|").unwrap(); - for _ in ¶ms { - write!(o, "-|").unwrap(); - } - if !assoc_params.is_empty() { - if site_names { - write!(o, "-|-|").unwrap(); - } - for _ in &assoc_params { - write!(o, "-|").unwrap(); - } - } - for r in &self.binary_records { - write!(o, "\n|{}|", component_names[r.id1]).unwrap(); - write!(o, "{}|", component_names[r.id2]).unwrap(); - if let Some(m) = &r.model_record { - let model_record = m.as_object().unwrap(); - for &p in ¶ms { - format_optional(o, model_record.get(p)); - } - } - if !r.association_sites.is_empty() { - let s = &r.association_sites[0]; - if site_names { - write!(o, "{}|{}|", s.id1, s.id2).unwrap(); - } - for &p in &assoc_params { - let assoc_record = s.parameters.as_object().unwrap(); - format_optional(o, assoc_record.get(p)); - } - } - for s in r.association_sites.iter().skip(1) { - write!(o, "\n|||").unwrap(); - for &_ in ¶ms { - write!(o, "|").unwrap(); - } - if site_names { - write!(o, "{}|{}|", s.id1, s.id2).unwrap(); - } - for &p in &assoc_params { - let assoc_record = s.parameters.as_object().unwrap(); - format_optional(o, assoc_record.get(p)); - } - } - } - } - - output - } -} - -/// Combination of chemical information and segment parameters that is used to -/// parametrize a group-contribution model. -#[pyclass(name = "GcParameters")] -#[derive(Clone, Serialize, Deserialize)] -pub struct PyGcParameters { - chemical_records: Vec, - segment_records: Vec>, - binary_segment_records: Option>>, -} - -impl PyGcParameters { - pub fn try_convert_homosegmented(self) -> PyResult> - where - for<'de> P: Deserialize<'de> + Clone + FromSegments, - for<'de> B: Deserialize<'de> + Clone + FromSegmentsBinary + Default, - for<'de> A: Deserialize<'de> + Clone + CombiningRule

, - { - let segment_records: Vec<_> = self - .segment_records - .into_iter() - .map(|r| Ok(serde_json::from_value(serde_json::to_value(r)?)?)) - .collect::>()?; - let binary_segment_records = self - .binary_segment_records - .map(|bsr| { - bsr.into_iter() - .map(|r| Ok(serde_json::from_value(serde_json::to_value(r)?)?)) - .collect::, PyFeosError>>() - }) - .transpose()?; - Ok(Parameters::from_segments( - self.chemical_records, - &segment_records, - binary_segment_records.as_deref(), - ) - .map_err(PyFeosError::from)?) - } - - pub fn try_convert_heterosegmented( - self, - ) -> PyResult> - where - for<'de> P: Deserialize<'de> + Clone, - for<'de> B: Deserialize<'de> + Clone, - for<'de> A: Deserialize<'de> + CombiningRule

+ Clone, - { - let segment_records = self - .segment_records - .into_iter() - .map(|r| Ok(serde_json::from_value(serde_json::to_value(r)?)?)) - .collect::, PyFeosError>>()?; - let binary_segment_records = self - .binary_segment_records - .map(|bsr| { - bsr.into_iter() - .map(|r| Ok(serde_json::from_value(serde_json::to_value(r)?)?)) - .collect::, PyFeosError>>() - }) - .transpose()?; - Ok(GcParameters::::from_segments_hetero( - self.chemical_records, - &segment_records, - binary_segment_records.as_deref(), - ) - .map_err(PyFeosError::from)?) - } -} - -#[pymethods] -impl PyGcParameters { - /// Creates parameters from segment records. - /// - /// Parameters - /// ---------- - /// chemical_records : [ChemicalRecord] - /// A list of pure component chemical records. - /// segment_records : [SegmentRecord] - /// A list of records containing the parameters of - /// all individual segments. - /// binary_segment_records : [BinarySegmentRecord], optional - /// A list of binary segment-segment parameters. - #[staticmethod] - #[pyo3(text_signature = "(chemical_records, segment_records, binary_segment_records=None)", - signature = (chemical_records, segment_records, binary_segment_records=None))] - fn from_segments( - chemical_records: Vec, - segment_records: Vec, - binary_segment_records: Option>, - ) -> Self { - let chemical_records = chemical_records.into_iter().map(|r| r.into()).collect(); - let segment_records = segment_records.into_iter().map(|r| r.into()).collect(); - let binary_segment_records = - binary_segment_records.map(|bsr| bsr.into_iter().map(|r| r.into()).collect()); - Self { - chemical_records, - segment_records, - binary_segment_records, - } - } - - /// Creates parameters using segments from json file. - /// - /// Parameters - /// ---------- - /// substances : List[str] - /// The substances to search. - /// pure_path : str - /// Path to file containing pure substance parameters. - /// segments_path : str - /// Path to file containing segment parameters. - /// binary_path : str, optional - /// Path to file containing binary segment-segment parameters. - /// identifier_option : IdentifierOption, optional, defaults to IdentifierOption.Name - /// Identifier that is used to search substance. - #[staticmethod] - #[pyo3( - signature = (substances, pure_path, segments_path, binary_path=None, identifier_option=PyIdentifierOption::Name), - text_signature = "(substances, pure_path, segments_path, binary_path=None, identifier_option=IdentiferOption.Name)" - )] - fn from_json_segments( - substances: Vec, - pure_path: &str, - segments_path: &str, - binary_path: Option<&str>, - identifier_option: PyIdentifierOption, - ) -> PyResult { - let chemical_records = - PyChemicalRecord::from_json(substances, pure_path, identifier_option)?; - let segment_records = PySegmentRecord::from_json(segments_path)?; - let binary_segment_records = binary_path - .as_ref() - .map(|p| { - BinarySegmentRecord::from_json(p as &str) - .map(|brs| brs.into_iter().map(|r| r.into()).collect()) - }) - .transpose() - .map_err(PyFeosError::from)?; - Ok(Self::from_segments( - chemical_records, - segment_records, - binary_segment_records, - )) - } - - /// Creates parameters from SMILES and segment records. - /// - /// Requires an installation of rdkit. - /// - /// Parameters - /// ---------- - /// identifier : [str | Identifier] - /// A list of SMILES codes or [Identifier] objects. - /// smarts_records : [SmartsRecord] - /// A list of records containing the SMARTS codes used - /// to fragment the molecule. - /// segment_records : [SegmentRecord] - /// A list of records containing the parameters of - /// all individual segments. - /// binary_segment_records : [BinarySegmentRecord], optional - /// A list of binary segment-segment parameters. - #[staticmethod] - #[pyo3( - text_signature = "(identifier, smarts_records, segment_records, binary_segment_records=None)" - )] - #[pyo3(signature = (identifier, smarts_records, segment_records, binary_segment_records=None))] - fn from_smiles( - identifier: Vec>, - smarts_records: Vec, - segment_records: Vec, - binary_segment_records: Option>, - ) -> PyResult { - let chemical_records: Vec<_> = identifier - .into_iter() - .map(|i| PyChemicalRecord::from_smiles(&i, smarts_records.clone())) - .collect::>()?; - Ok(Self::from_segments( - chemical_records, - segment_records, - binary_segment_records, - )) - } - - /// Creates parameters from SMILES using segments from json file. - /// - /// Requires an installation of rdkit. - /// - /// Parameters - /// ---------- - /// identifier : list[str | Identifier] - /// A list of SMILES codes or [Identifier] objects. - /// smarts_path : str - /// Path to file containing SMARTS records. - /// segments_path : str - /// Path to file containing segment parameters. - /// binary_path : str, optional - /// Path to file containing binary segment-segment parameters. - #[staticmethod] - #[pyo3( - signature = (identifier, smarts_path, segments_path, binary_path=None), - text_signature = "(identifier, smarts_path, segments_path, binary_path=None)" - )] - fn from_json_smiles( - identifier: Vec>, - smarts_path: &str, - segments_path: &str, - binary_path: Option<&str>, - ) -> PyResult { - let smarts_records = PySmartsRecord::from_json(smarts_path)?; - let segment_records = PySegmentRecord::from_json(segments_path)?; - let binary_segment_records = binary_path - .as_ref() - .map(|p| { - BinarySegmentRecord::from_json(p as &str) - .map(|brs| brs.into_iter().map(|r| r.into()).collect()) - }) - .transpose() - .map_err(PyFeosError::from)?; - Self::from_smiles( - identifier, - smarts_records, - segment_records, - binary_segment_records, - ) - } -} - -// Note: PyErr requires pyo3::Python::initialize(). -// If you see weird messages in your test-output (lifetime issue with PyO3), -// consider initializing the Python interpreter. As long as no errors are raised, we don't need it. -// -// To check tempfiles directory, add: -// println!("Storing tempfiles in: {:?}", std::env::temp_dir()); -#[cfg(test)] -mod test { - use super::*; - use feos_core::cubic::{PengRobinsonBinaryRecord, PengRobinsonParameters, PengRobinsonRecord}; - use tempfile::NamedTempFile; - - // Helper trait to extract path as String - trait TempFileExt { - fn path_string(&self) -> String; - } - - impl TempFileExt for NamedTempFile { - fn path_string(&self) -> String { - self.path().to_str().unwrap().to_string() - } - } - - #[test] - fn test_pr_binary_parameter_from_json() { - pyo3::Python::initialize(); - - // Create pure substance parameter file - let params: Vec> = vec![ - PureRecord::new( - Identifier::new(None, Some("1"), None, None, None, None), - 1.0, - PengRobinsonRecord::new(1.0, 1.0, 1.0), - ), - PureRecord::new( - Identifier::new(None, Some("2"), None, None, None, None), - 2.0, - PengRobinsonRecord::new(2.0, 2.0, 2.0), - ), - ]; - // Create pure parameter file - let pure_path = NamedTempFile::new().unwrap(); - serde_json::to_writer(&pure_path, ¶ms).unwrap(); - - let binary_params: Vec> = - vec![BinaryRecord::new( - Identifier::new(None, Some("1"), None, None, None, None), - Identifier::new(None, Some("2"), None, None, None, None), - Some(PengRobinsonBinaryRecord::new(2.0)), - )]; - // Create binary parameter file - let binary_path = NamedTempFile::new().unwrap(); - serde_json::to_writer(&binary_path, &binary_params).unwrap(); - - let py_parameters = PyParameters::from_json( - vec!["1".to_string(), "2".to_string()], - pure_path.path_string(), - Some(binary_path.path_string()), - PyIdentifierOption::Name, - ); - let parameter: PengRobinsonParameters = py_parameters.unwrap().try_convert().unwrap(); - assert!(parameter.binary[0].model_record.k_ij == 2.0); - } -} diff --git a/py-feos/src/parameter/model_record.rs b/py-feos/src/parameter/model_record.rs deleted file mode 100644 index eeb06aa8e..000000000 --- a/py-feos/src/parameter/model_record.rs +++ /dev/null @@ -1,205 +0,0 @@ -//! Structs for parameter objects. -//! -//! - PyPureRecord -//! - PyBinaryRecord -use super::identifier::{PyIdentifier, PyIdentifierOption}; -use crate::error::PyFeosError; -use feos_core::parameter::*; -use pyo3::types::PyDict; -use pyo3::{exceptions::PyValueError, prelude::*}; -use pythonize::{depythonize, pythonize}; -use serde::{Deserialize, Serialize}; -use serde_json::Value; - -/// Parameters that describe a pure component. -#[derive(Serialize, Deserialize, Clone)] -#[serde(from = "PureRecord")] -#[serde(into = "PureRecord")] -#[pyclass(name = "PureRecord")] -pub struct PyPureRecord { - #[pyo3(get)] - pub identifier: PyIdentifier, - #[pyo3(get)] - pub molarweight: f64, - pub model_record: Value, - pub association_sites: Vec>, -} - -impl From for PureRecord { - fn from(value: PyPureRecord) -> Self { - Self { - identifier: value.identifier.0, - molarweight: value.molarweight, - model_record: value.model_record, - association_sites: value.association_sites, - } - } -} - -impl From> for PyPureRecord { - fn from(value: PureRecord) -> Self { - Self { - identifier: PyIdentifier(value.identifier), - molarweight: value.molarweight, - model_record: value.model_record, - association_sites: value.association_sites, - } - } -} - -#[pymethods] -impl PyPureRecord { - #[new] - #[pyo3(signature = (identifier, molarweight, **parameters))] - fn new( - py: Python, - identifier: PyIdentifier, - molarweight: f64, - parameters: Option<&Bound<'_, PyDict>>, - ) -> PyResult { - let Some(parameters) = parameters else { - return Err(PyErr::new::( - "No model parameters provided for PureRecord", - )); - }; - parameters.set_item("identifier", pythonize(py, &identifier)?)?; - parameters.set_item("molarweight", molarweight)?; - Ok(depythonize(parameters)?) - } - - #[getter] - fn get_model_record<'py>(&self, py: Python<'py>) -> PyResult> { - pythonize(py, &self.model_record).map_err(PyErr::from) - } - - #[getter] - fn get_association_sites<'py>(&self, py: Python<'py>) -> PyResult> { - pythonize(py, &self.association_sites).map_err(PyErr::from) - } - - pub fn to_dict<'py>(&self, py: Python<'py>) -> PyResult> { - pythonize(py, &self).map_err(PyErr::from) - } - - #[staticmethod] - pub fn from_json_str(s: &str) -> PyResult { - Ok(serde_json::from_str(s).map_err(PyFeosError::from)?) - } - - pub fn to_json_str(&self) -> PyResult { - Ok(serde_json::to_string(&self).map_err(PyFeosError::from)?) - } - - /// Read a list of [PureRecord]s from a JSON file. - /// - /// Parameters - /// ---------- - /// substances : list[str] - /// List of component identifiers. - /// path : str - /// Path to file containing the segment records. - /// identifier_option : IdentifierOption - /// The type of identifier used in the substance list. - /// - /// Returns - /// ------- - /// [SegmentRecord] - #[staticmethod] - pub fn from_json( - substances: Vec, - file: &str, - identifier_option: PyIdentifierOption, - ) -> PyResult> { - Ok( - PureRecord::from_json(&substances, file, identifier_option.into()) - .map_err(PyFeosError::from)? - .into_iter() - .map(|r| r.into()) - .collect(), - ) - } - - fn __repr__(&self) -> String { - PureRecord::from(self.clone()).to_string() - } -} - -/// Binary interaction parameters. -#[derive(Serialize, Deserialize, Clone)] -#[serde(from = "BinaryRecord")] -#[serde(into = "BinaryRecord")] -#[pyclass(name = "BinaryRecord")] -pub struct PyBinaryRecord { - #[pyo3(get)] - pub id1: PyIdentifier, - #[pyo3(get)] - pub id2: PyIdentifier, - pub model_record: Option, - pub association_sites: Vec>, -} - -impl From for BinaryRecord { - fn from(value: PyBinaryRecord) -> Self { - Self { - id1: value.id1.0, - id2: value.id2.0, - model_record: value.model_record, - association_sites: value.association_sites, - } - } -} - -impl From> for PyBinaryRecord { - fn from(value: BinaryRecord) -> Self { - Self { - id1: PyIdentifier(value.id1), - id2: PyIdentifier(value.id2), - model_record: value.model_record, - association_sites: value.association_sites, - } - } -} - -#[pymethods] -impl PyBinaryRecord { - #[new] - #[pyo3(signature = (id1, id2, **parameters))] - fn new( - py: Python, - id1: PyIdentifier, - id2: PyIdentifier, - parameters: Option<&Bound<'_, PyDict>>, - ) -> PyResult { - let Some(parameters) = parameters else { - return Err(PyFeosError::Error( - "No model parameters provided for BinaryRecord".to_string(), - ) - .into()); - }; - parameters.set_item("id1", pythonize(py, &id1)?)?; - parameters.set_item("id2", pythonize(py, &id2)?)?; - Ok(depythonize(parameters)?) - } - - #[getter] - fn get_model_record<'py>(&self, py: Python<'py>) -> PyResult> { - pythonize(py, &self.model_record).map_err(PyErr::from) - } - - pub fn to_dict<'py>(&self, py: Python<'py>) -> PyResult> { - pythonize(py, &self).map_err(PyErr::from) - } - - #[staticmethod] - pub fn from_json_str(s: &str) -> PyResult { - Ok(serde_json::from_str(s).map_err(PyFeosError::from)?) - } - - pub fn to_json_str(&self) -> PyResult { - Ok(serde_json::to_string(&self).map_err(PyFeosError::from)?) - } - - fn __repr__(&self) -> String { - BinaryRecord::from(self.clone()).to_string() - } -} diff --git a/py-feos/src/parameter/segment.rs b/py-feos/src/parameter/segment.rs deleted file mode 100644 index 1816643ec..000000000 --- a/py-feos/src/parameter/segment.rs +++ /dev/null @@ -1,185 +0,0 @@ -use crate::error::PyFeosError; -use feos_core::parameter::*; -use pyo3::prelude::*; -use pyo3::types::PyDict; -use pythonize::{depythonize, pythonize}; -use serde::{Deserialize, Serialize}; -use serde_json::Value; - -/// Parameters describing individual segments. -#[derive(Serialize, Deserialize, Clone)] -#[serde(from = "SegmentRecord")] -#[serde(into = "SegmentRecord")] -#[pyclass(name = "SegmentRecord")] -pub struct PySegmentRecord { - #[pyo3(get)] - identifier: String, - #[pyo3(get)] - molarweight: f64, - model_record: Value, - association_sites: Vec>, -} - -impl From for SegmentRecord { - fn from(value: PySegmentRecord) -> Self { - Self { - identifier: value.identifier, - molarweight: value.molarweight, - model_record: value.model_record, - association_sites: value.association_sites, - } - } -} - -impl From> for PySegmentRecord { - fn from(value: SegmentRecord) -> Self { - Self { - identifier: value.identifier, - molarweight: value.molarweight, - model_record: value.model_record, - association_sites: value.association_sites, - } - } -} - -#[pymethods] -impl PySegmentRecord { - #[new] - #[pyo3(signature = (identifier, molarweight, **parameters))] - fn new( - identifier: String, - molarweight: f64, - parameters: Option<&Bound<'_, PyDict>>, - ) -> PyResult { - let Some(parameters) = parameters else { - return Err(PyFeosError::Error( - "No model parameters provided for SegmentRecord".to_string(), - ) - .into()); - }; - parameters.set_item("identifier", identifier)?; - parameters.set_item("molarweight", molarweight)?; - Ok(depythonize(parameters)?) - } - - #[getter] - fn get_model_record<'py>(&self, py: Python<'py>) -> PyResult> { - pythonize(py, &self.model_record).map_err(PyErr::from) - } - - #[getter] - fn get_association_sites<'py>(&self, py: Python<'py>) -> PyResult> { - pythonize(py, &self.association_sites).map_err(PyErr::from) - } - - pub fn to_dict<'py>(&self, py: Python<'py>) -> PyResult> { - pythonize(py, &self).map_err(PyErr::from) - } - - #[staticmethod] - pub fn from_json_str(s: &str) -> PyResult { - Ok(serde_json::from_str(s).map_err(PyFeosError::from)?) - } - - pub fn to_json_str(&self) -> PyResult { - Ok(serde_json::to_string(&self).map_err(PyFeosError::from)?) - } - - /// Read a list of [SegmentRecord]s from a JSON file. - /// - /// Parameters - /// ---------- - /// path : str - /// Path to file containing the segment records. - /// - /// Returns - /// ------- - /// [SegmentRecord] - #[staticmethod] - pub fn from_json(path: &str) -> PyResult> { - Ok(SegmentRecord::from_json(path) - .map_err(PyFeosError::from)? - .into_iter() - .map(|r| r.into()) - .collect()) - } - - fn __repr__(&self) -> String { - SegmentRecord::from(self.clone()).to_string() - } -} - -/// Binary segment/segment interaction parameters. -#[derive(Serialize, Deserialize, Clone)] -#[serde(from = "BinaryRecord")] -#[serde(into = "BinaryRecord")] -#[pyclass(name = "BinarySegmentRecord")] -pub struct PyBinarySegmentRecord { - #[pyo3(get)] - pub id1: String, - #[pyo3(get)] - pub id2: String, - pub model_record: Option, - pub association_sites: Vec>, -} - -impl From for BinaryRecord { - fn from(value: PyBinarySegmentRecord) -> Self { - Self { - id1: value.id1, - id2: value.id2, - model_record: value.model_record, - association_sites: value.association_sites, - } - } -} - -impl From> for PyBinarySegmentRecord { - fn from(value: BinaryRecord) -> Self { - Self { - id1: value.id1, - id2: value.id2, - model_record: value.model_record, - association_sites: value.association_sites, - } - } -} - -#[pymethods] -impl PyBinarySegmentRecord { - #[new] - #[pyo3(signature = (id1, id2, **parameters))] - fn new(id1: String, id2: String, parameters: Option<&Bound<'_, PyDict>>) -> PyResult { - let Some(parameters) = parameters else { - return Err(PyFeosError::Error( - "No model parameters provided for BinaryRecord".to_string(), - ) - .into()); - }; - parameters.set_item("id1", id1)?; - parameters.set_item("id2", id2)?; - Ok(depythonize(parameters)?) - } - - #[getter] - fn get_model_record<'py>(&self, py: Python<'py>) -> PyResult> { - pythonize(py, &self.model_record).map_err(PyErr::from) - } - - pub fn to_dict<'py>(&self, py: Python<'py>) -> PyResult> { - pythonize(py, &self).map_err(PyErr::from) - } - - #[staticmethod] - pub fn from_json_str(s: &str) -> PyResult { - Ok(serde_json::from_str(s).map_err(PyFeosError::from)?) - } - - pub fn to_json_str(&self) -> PyResult { - Ok(serde_json::to_string(&self).map_err(PyFeosError::from)?) - } - - fn __repr__(&self) -> String { - BinaryRecord::from(self.clone()).to_string() - } -} diff --git a/py-feos/src/phase_equilibria.rs b/py-feos/src/phase_equilibria.rs deleted file mode 100644 index 77f95df3d..000000000 --- a/py-feos/src/phase_equilibria.rs +++ /dev/null @@ -1,1468 +0,0 @@ -use crate::{ - eos::{parse_molefracs, PyEquationOfState}, - error::PyFeosError, - ideal_gas::IdealGasModel, - residual::ResidualModel, - state::{PyContributions, PyState, PyStateVec}, - PyVerbosity, -}; -use feos_core::{ - Contributions, EquationOfState, PhaseDiagram, PhaseDiagramHetero, PhaseEquilibrium, ResidualDyn, -}; -use indexmap::IndexMap; -use nalgebra::DVector; -use numpy::PyReadonlyArray1; -use pyo3::exceptions::PyValueError; -use pyo3::prelude::*; -use quantity::*; -use std::ops::Deref; -use std::sync::Arc; -use typenum::P3; - -/// A thermodynamic two phase equilibrium state. -#[pyclass(name = "PhaseEquilibrium")] -#[derive(Clone)] -pub struct PyPhaseEquilibrium( - pub PhaseEquilibrium, ResidualModel>>, 2>, -); - -#[pymethods] -impl PyPhaseEquilibrium { - /// Create a liquid and vapor state in equilibrium - /// for a pure substance. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state. - /// temperature_or_pressure : SINumber - /// The system temperature or pressure. - /// initial_state : PhaseEquilibrium, optional - /// A phase equilibrium used as initial guess. - /// Can speed up convergence. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// PhaseEquilibrium - /// - /// Raises - /// ------ - /// RuntimeError - /// When pressure iteration fails or no phase equilibrium is found. - #[staticmethod] - #[pyo3( - text_signature = "(eos, temperature_or_pressure, initial_state=None, max_iter=None, tol=None, verbosity=None)" - )] - #[pyo3(signature = (eos, temperature_or_pressure, initial_state=None, max_iter=None, tol=None, verbosity=None))] - pub(crate) fn pure( - eos: &PyEquationOfState, - temperature_or_pressure: Bound<'_, PyAny>, - initial_state: Option<&PyPhaseEquilibrium>, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult { - if let Ok(t) = temperature_or_pressure.extract::() { - Ok(Self( - PhaseEquilibrium::pure( - &eos.0, - t, - initial_state.map(|s| &s.0), - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ) - .map_err(PyFeosError::from)?, - )) - } else if let Ok(p) = temperature_or_pressure.extract::() { - Ok(Self( - PhaseEquilibrium::pure( - &eos.0, - p, - initial_state.map(|s| &s.0), - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ) - .map_err(PyFeosError::from)?, - )) - } else { - Err(PyErr::new::(format!( - "Wrong units! Expected K or Pa, got {}.", - temperature_or_pressure.call_method0("__repr__")? - ))) - } - } - - /// Create a liquid and vapor state in equilibrium - /// for given temperature, pressure and feed composition. - /// - /// Can also be used to calculate liquid liquid phase separation. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state. - /// temperature : SINumber - /// The system temperature. - /// pressure : SINumber - /// The system pressure. - /// feed : SIArray1 - /// Feed composition (units of amount of substance). - /// initial_state : PhaseEquilibrium, optional - /// A phase equilibrium used as initial guess. - /// Can speed up convergence. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// PhaseEquilibrium - /// - /// Raises - /// ------ - /// RuntimeError - /// When pressure iteration fails or no phase equilibrium is found. - #[staticmethod] - #[pyo3( - text_signature = "(eos, temperature, pressure, feed, initial_state=None, max_iter=None, tol=None, verbosity=None, non_volatile_components=None)" - )] - #[pyo3(signature = (eos, temperature, pressure, feed, initial_state=None, max_iter=None, tol=None, verbosity=None, non_volatile_components=None))] - #[expect(clippy::too_many_arguments)] - pub(crate) fn tp_flash( - eos: &PyEquationOfState, - temperature: Temperature, - pressure: Pressure, - feed: Moles>, - initial_state: Option<&PyPhaseEquilibrium>, - max_iter: Option, - tol: Option, - verbosity: Option, - non_volatile_components: Option>, - ) -> PyResult { - Ok(Self( - PhaseEquilibrium::tp_flash( - &eos.0, - temperature, - pressure, - &feed, - initial_state.map(|s| &s.0), - (max_iter, tol, verbosity.map(|v| v.into())).into(), - non_volatile_components, - ) - .map_err(PyFeosError::from)?, - )) - } - - /// Compute a phase equilibrium for given temperature - /// or pressure and liquid mole fractions. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state. - /// temperature_or_pressure : SINumber - /// The system temperature_or_pressure. - /// liquid_molefracs : numpy.ndarray - /// The mole fraction of the liquid phase. - /// tp_init : SINumber, optional - /// The system pressure/temperature used as starting - /// condition for the iteration. - /// vapor_molefracs : numpy.ndarray, optional - /// The mole fraction of the vapor phase used as - /// starting condition for iteration. - /// max_iter_inner : int, optional - /// The maximum number of inner iterations. - /// max_iter_outer : int, optional - /// The maximum number of outer iterations. - /// tol_inner : float, optional - /// The solution tolerance in the inner loop. - /// tol_outer : float, optional - /// The solution tolerance in the outer loop. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// PhaseEquilibrium - #[staticmethod] - #[pyo3( - text_signature = "(eos, temperature_or_pressure, liquid_molefracs, tp_init=None, vapor_molefracs=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None)" - )] - #[pyo3(signature = (eos, temperature_or_pressure, liquid_molefracs, tp_init=None, vapor_molefracs=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None))] - #[expect(clippy::too_many_arguments)] - pub(crate) fn bubble_point<'py>( - eos: &PyEquationOfState, - temperature_or_pressure: Bound<'_, PyAny>, - liquid_molefracs: PyReadonlyArray1<'py, f64>, - tp_init: Option>, - vapor_molefracs: Option>, - max_iter_inner: Option, - max_iter_outer: Option, - tol_inner: Option, - tol_outer: Option, - verbosity: Option, - ) -> PyResult { - let x = parse_molefracs(vapor_molefracs); - if let Ok(t) = temperature_or_pressure.extract::() { - Ok(Self( - PhaseEquilibrium::bubble_point( - &eos.0, - t, - &parse_molefracs(Some(liquid_molefracs)).unwrap(), - tp_init.map(|p| p.extract()).transpose()?, - x.as_ref(), - ( - (max_iter_inner, tol_inner, verbosity.map(|v| v.into())).into(), - (max_iter_outer, tol_outer, verbosity.map(|v| v.into())).into(), - ), - ) - .map_err(PyFeosError::from)?, - )) - } else if let Ok(p) = temperature_or_pressure.extract::() { - Ok(Self( - PhaseEquilibrium::bubble_point( - &eos.0, - p, - &parse_molefracs(Some(liquid_molefracs)).unwrap(), - tp_init.map(|p| p.extract()).transpose()?, - x.as_ref(), - ( - (max_iter_inner, tol_inner, verbosity.map(|v| v.into())).into(), - (max_iter_outer, tol_outer, verbosity.map(|v| v.into())).into(), - ), - ) - .map_err(PyFeosError::from)?, - )) - } else { - Err(PyErr::new::(format!( - "Wrong units! Expected K or Pa, got {}.", - temperature_or_pressure.call_method0("__repr__")? - ))) - } - } - - /// Compute a phase equilibrium for given temperature - /// or pressure and vapor mole fractions. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state. - /// temperature_or_pressure : SINumber - /// The system temperature or pressure. - /// vapor_molefracs : numpy.ndarray - /// The mole fraction of the vapor phase. - /// tp_init : SINumber, optional - /// The system pressure/temperature used as starting - /// condition for the iteration. - /// liquid_molefracs : numpy.ndarray, optional - /// The mole fraction of the liquid phase used as - /// starting condition for iteration. - /// max_iter_inner : int, optional - /// The maximum number of inner iterations. - /// max_iter_outer : int, optional - /// The maximum number of outer iterations. - /// tol_inner : float, optional - /// The solution tolerance in the inner loop. - /// tol_outer : float, optional - /// The solution tolerance in the outer loop. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// PhaseEquilibrium - #[staticmethod] - #[pyo3( - text_signature = "(eos, temperature_or_pressure, vapor_molefracs, tp_init=None, liquid_molefracs=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None)" - )] - #[pyo3(signature = (eos, temperature_or_pressure, vapor_molefracs, tp_init=None, liquid_molefracs=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None))] - #[expect(clippy::too_many_arguments)] - pub(crate) fn dew_point<'py>( - eos: &PyEquationOfState, - temperature_or_pressure: Bound<'_, PyAny>, - vapor_molefracs: PyReadonlyArray1<'py, f64>, - tp_init: Option>, - liquid_molefracs: Option>, - max_iter_inner: Option, - max_iter_outer: Option, - tol_inner: Option, - tol_outer: Option, - verbosity: Option, - ) -> PyResult { - let x = parse_molefracs(liquid_molefracs); - if let Ok(t) = temperature_or_pressure.extract::() { - Ok(Self( - PhaseEquilibrium::dew_point( - &eos.0, - t, - &parse_molefracs(Some(vapor_molefracs)).unwrap(), - tp_init.map(|p| p.extract()).transpose()?, - x.as_ref(), - ( - (max_iter_inner, tol_inner, verbosity.map(|v| v.into())).into(), - (max_iter_outer, tol_outer, verbosity.map(|v| v.into())).into(), - ), - ) - .map_err(PyFeosError::from)?, - )) - } else if let Ok(p) = temperature_or_pressure.extract::() { - Ok(Self( - PhaseEquilibrium::dew_point( - &eos.0, - p, - &parse_molefracs(Some(vapor_molefracs)).unwrap(), - tp_init.map(|p| p.extract()).transpose()?, - x.as_ref(), - ( - (max_iter_inner, tol_inner, verbosity.map(|v| v.into())).into(), - (max_iter_outer, tol_outer, verbosity.map(|v| v.into())).into(), - ), - ) - .map_err(PyFeosError::from)?, - )) - } else { - Err(PyErr::new::(format!( - "Wrong units! Expected K or Pa, got {}.", - temperature_or_pressure.call_method0("__repr__")? - ))) - } - } - - // /// Creates a new PhaseEquilibrium that contains two states at the - // /// specified temperature, pressure and moles. - // /// - // /// The constructor can be used in custom phase equilibrium solvers or, - // /// e.g., to generate initial guesses for an actual VLE solver. - // /// In general, the two states generated are NOT in an equilibrium. - // /// - // /// Parameters - // /// ---------- - // /// eos : EquationOfState - // /// The equation of state. - // /// temperature : SINumber - // /// The system temperature. - // /// pressure : SINumber - // /// The system pressure. - // /// vapor_moles : SIArray1 - // /// Amount of substance of the vapor phase. - // /// liquid_moles : SIArray1 - // /// Amount of substance of the liquid phase. - // /// - // /// Returns - // /// ------- - // /// PhaseEquilibrium - // #[staticmethod] - // pub(crate) fn new_npt( - // eos: &PyEquationOfState, - // temperature: Temperature, - // pressure: Pressure, - // vapor_moles: Moles>, - // liquid_moles: Moles>, - // ) -> PyResult { - // Ok(Self( - // PhaseEquilibrium::new_xpt(&eos.0, temperature, pressure, &vapor_moles, &liquid_moles) - // .map_err(PyFeosError::from)?, - // )) - // } - - #[getter] - fn get_vapor(&self) -> PyState { - PyState(self.0.vapor().clone()) - } - - #[getter] - fn get_liquid(&self) -> PyState { - PyState(self.0.liquid().clone()) - } - - /// Calculate the pure component vapor-liquid equilibria for all - /// components in the system. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state. - /// temperature_or_pressure : SINumber - /// The system temperature or pressure. - /// - /// Returns - /// ------- - /// list[PhaseEquilibrium] - #[staticmethod] - fn vle_pure_comps( - eos: &PyEquationOfState, - temperature_or_pressure: Bound<'_, PyAny>, - ) -> PyResult>> { - if let Ok(t) = temperature_or_pressure.extract::() { - Ok(PhaseEquilibrium::vle_pure_comps(&eos.0, t) - .into_iter() - .map(|o| o.map(Self)) - .collect()) - } else if let Ok(p) = temperature_or_pressure.extract::() { - Ok(PhaseEquilibrium::vle_pure_comps(&eos.0, p) - .into_iter() - .map(|o| o.map(Self)) - .collect()) - } else { - Err(PyErr::new::(format!( - "Wrong units! Expected K or Pa, got {}.", - temperature_or_pressure.call_method0("__repr__")? - ))) - } - } - - /// Calculate the pure component vapor pressures for all the - /// components in the system. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state. - /// temperature : SINumber - /// The system temperature. - /// - /// Returns - /// ------- - /// list[SINumber] - #[staticmethod] - fn vapor_pressure(eos: &PyEquationOfState, temperature: Temperature) -> Vec> { - PhaseEquilibrium::vapor_pressure(&eos.0, temperature) - } - - /// Calculate the pure component boiling temperatures for all the - /// components in the system. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state. - /// pressure : SINumber - /// The system pressure. - /// - /// Returns - /// ------- - /// list[SINumber] - #[staticmethod] - fn boiling_temperature( - eos: &PyEquationOfState, - pressure: Pressure, - ) -> Vec> { - PhaseEquilibrium::boiling_temperature(&eos.0, pressure) - } - - fn _repr_markdown_(&self) -> String { - self.0._repr_markdown_() - } - - fn __repr__(&self) -> PyResult { - Ok(self.0.to_string()) - } -} - -/// A thermodynamic three phase equilibrium state. -#[pyclass(name = "ThreePhaseEquilibrium")] -#[derive(Clone)] -struct PyThreePhaseEquilibrium( - PhaseEquilibrium, ResidualModel>>, 3>, -); - -#[pymethods] -impl PyPhaseEquilibrium { - /// Calculate a heteroazeotrope in a binary mixture for a given temperature - /// or pressure. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state. - /// temperature_or_pressure : SINumber - /// The system temperature or pressure. - /// x_init : list[float] - /// Initial guesses for the liquid molefracs of component 1 - /// at the heteroazeotropic point. - /// tp_init : SINumber, optional - /// Initial guess for the temperature/pressure at the - /// heteroszeotropic point. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// max_iter_bd_inner : int, optional - /// The maximum number of inner iterations in the bubble/dew point iteration. - /// max_iter_bd_outer : int, optional - /// The maximum number of outer iterations in the bubble/dew point iteration. - /// tol_bd_inner : float, optional - /// The solution tolerance in the inner loop of the bubble/dew point iteration. - /// tol_bd_outer : float, optional - /// The solution tolerance in the outer loop of the bubble/dew point iteration. - /// verbosity_bd : Verbosity, optional - /// The verbosity of the bubble/dew point iteration. - #[staticmethod] - #[pyo3( - text_signature = "(eos, temperature_or_pressure, x_init, tp_init=None, max_iter=None, tol=None, verbosity=None, max_iter_bd_inner=None, max_iter_bd_outer=None, tol_bd_inner=None, tol_bd_outer=None, verbosity_bd=None)" - )] - #[pyo3(signature = (eos, temperature_or_pressure, x_init, tp_init=None, max_iter=None, tol=None, verbosity=None, max_iter_bd_inner=None, max_iter_bd_outer=None, tol_bd_inner=None, tol_bd_outer=None, verbosity_bd=None))] - #[expect(clippy::too_many_arguments)] - fn heteroazeotrope( - eos: &PyEquationOfState, - temperature_or_pressure: Bound<'_, PyAny>, - x_init: (f64, f64), - tp_init: Option>, - max_iter: Option, - tol: Option, - verbosity: Option, - max_iter_bd_inner: Option, - max_iter_bd_outer: Option, - tol_bd_inner: Option, - tol_bd_outer: Option, - verbosity_bd: Option, - ) -> PyResult { - if let Ok(t) = temperature_or_pressure.extract::() { - Ok(PyThreePhaseEquilibrium( - PhaseEquilibrium::heteroazeotrope( - &eos.0, - t, - x_init, - tp_init.map(|t| t.extract()).transpose()?, - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ( - ( - max_iter_bd_inner, - tol_bd_inner, - verbosity_bd.map(|v| v.into()), - ) - .into(), - ( - max_iter_bd_outer, - tol_bd_outer, - verbosity_bd.map(|v| v.into()), - ) - .into(), - ), - ) - .map_err(PyFeosError::from)?, - )) - } else if let Ok(p) = temperature_or_pressure.extract::() { - Ok(PyThreePhaseEquilibrium( - PhaseEquilibrium::heteroazeotrope( - &eos.0, - p, - x_init, - tp_init.map(|t| t.extract()).transpose()?, - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ( - ( - max_iter_bd_inner, - tol_bd_inner, - verbosity_bd.map(|v| v.into()), - ) - .into(), - ( - max_iter_bd_outer, - tol_bd_outer, - verbosity_bd.map(|v| v.into()), - ) - .into(), - ), - ) - .map_err(PyFeosError::from)?, - )) - } else { - Err(PyErr::new::(format!( - "Wrong units! Expected K or Pa, got {}.", - temperature_or_pressure.call_method0("__repr__")? - ))) - } - } -} - -#[pymethods] -impl PyThreePhaseEquilibrium { - #[getter] - fn get_vapor(&self) -> PyState { - PyState(self.0.vapor().clone()) - } - - #[getter] - fn get_liquid1(&self) -> PyState { - PyState(self.0.liquid1().clone()) - } - - #[getter] - fn get_liquid2(&self) -> PyState { - PyState(self.0.liquid2().clone()) - } - - fn _repr_markdown_(&self) -> String { - self.0._repr_markdown_() - } - - fn __repr__(&self) -> PyResult { - Ok(self.0.to_string()) - } -} - -#[pymethods] -impl PyState { - /// Calculates a two phase Tp-flash with the state as feed. - /// - /// Parameters - /// ---------- - /// initial_state : PhaseEquilibrium, optional - /// A phase equilibrium used as initial guess. - /// Can speed up convergence. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// PhaseEquilibrium - /// - /// Raises - /// ------ - /// RuntimeError - /// When pressure iteration fails or no phase equilibrium is found. - #[pyo3( - text_signature = "($self, initial_state=None, max_iter=None, tol=None, verbosity=None, non_volatile_components=None)" - )] - #[pyo3(signature = (initial_state=None, max_iter=None, tol=None, verbosity=None, non_volatile_components=None))] - pub(crate) fn tp_flash( - &self, - initial_state: Option<&PyPhaseEquilibrium>, - max_iter: Option, - tol: Option, - verbosity: Option, - non_volatile_components: Option>, - ) -> PyResult { - Ok(PyPhaseEquilibrium( - self.0 - .tp_flash( - initial_state.map(|s| &s.0), - (max_iter, tol, verbosity.map(|v| v.into())).into(), - non_volatile_components, - ) - .map_err(PyFeosError::from)?, - )) - } -} - -/// Phase diagram for a pure component or a binary mixture. -/// -/// Parameters -/// ---------- -/// phase_equilibria : [PhaseEquilibrium] -/// A list of individual phase equilibria. -/// -/// Returns -/// ------- -/// PhaseDiagram : the resulting phase diagram -#[pyclass(name = "PhaseDiagram")] -pub struct PyPhaseDiagram(PhaseDiagram, ResidualModel>>, 2>); - -#[pymethods] -impl PyPhaseDiagram { - #[new] - fn new(phase_equilibria: Vec) -> Self { - Self(PhaseDiagram::new( - phase_equilibria.into_iter().map(|p| p.0).collect(), - )) - } - - /// Calculate a pure component phase diagram. - /// - /// Parameters - /// ---------- - /// eos: Eos - /// The equation of state. - /// min_temperature: SINumber - /// The lower limit for the temperature. - /// npoints: int - /// The number of points. - /// critical_temperature: SINumber, optional - /// An estimate for the critical temperature to initialize - /// the calculation if necessary. For most components not necessary. - /// Defaults to `None`. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// PhaseDiagram - #[staticmethod] - #[pyo3( - text_signature = "(eos, min_temperature, npoints, critical_temperature=None, max_iter=None, tol=None, verbosity=None)" - )] - #[pyo3(signature = (eos, min_temperature, npoints, critical_temperature=None, max_iter=None, tol=None, verbosity=None))] - pub(crate) fn pure( - eos: &PyEquationOfState, - min_temperature: Temperature, - npoints: usize, - critical_temperature: Option, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult { - let dia = PhaseDiagram::pure( - &eos.0, - min_temperature, - npoints, - critical_temperature, - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ) - .map_err(PyFeosError::from)?; - Ok(Self(dia)) - } - - /// Calculate a pure component phase diagram in parallel. - /// - /// Parameters - /// ---------- - /// eos : Eos - /// The equation of state. - /// min_temperature: SINumber - /// The lower limit for the temperature. - /// npoints : int - /// The number of points. - /// chunksize : int - /// The number of points that are calculated in sequence - /// within a thread. - /// nthreads : int - /// Number of threads. - /// critical_temperature: SINumber, optional - /// An estimate for the critical temperature to initialize - /// the calculation if necessary. For most components not necessary. - /// Defaults to `None`. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// PhaseDiagram - #[cfg(feature = "rayon")] - #[staticmethod] - #[pyo3( - text_signature = "(eos, min_temperature, npoints, chunksize, nthreads, critical_temperature=None, max_iter=None, tol=None, verbosity=None)" - )] - #[pyo3(signature = (eos, min_temperature, npoints, chunksize, nthreads, critical_temperature=None, max_iter=None, tol=None, verbosity=None))] - #[expect(clippy::too_many_arguments)] - pub(crate) fn par_pure( - eos: &PyEquationOfState, - min_temperature: Temperature, - npoints: usize, - chunksize: usize, - nthreads: usize, - critical_temperature: Option, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult { - let thread_pool = rayon::ThreadPoolBuilder::new() - .num_threads(nthreads) - .build() - .map_err(PyFeosError::from)?; - let dia = PhaseDiagram::par_pure( - &eos.0, - min_temperature, - npoints, - chunksize, - thread_pool, - critical_temperature, - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ) - .map_err(PyFeosError::from)?; - Ok(Self(dia)) - } - - /// Calculate the bubble point line of a mixture with given composition. - /// - /// In the resulting phase diagram, the liquid states correspond to the - /// bubble point line while the vapor states contain the corresponding - /// equilibrium states at different compositions. - /// - /// Parameters - /// ---------- - /// eos: Eos - /// The equation of state. - /// molefracs: np.ndarray[float] - /// The composition of the liquid phase. - /// min_temperature: SINumber - /// The lower limit for the temperature. - /// npoints: int - /// The number of points. - /// critical_temperature: SINumber, optional - /// An estimate for the critical temperature to initialize - /// the calculation if necessary. For most components not necessary. - /// Defaults to `None`. - /// max_iter_inner : int, optional - /// The maximum number of inner iterations in the bubble/dew point iteration. - /// max_iter_outer : int, optional - /// The maximum number of outer iterations in the bubble/dew point iteration. - /// tol_inner : float, optional - /// The solution tolerance in the inner loop of the bubble/dew point iteration. - /// tol_outer : float, optional - /// The solution tolerance in the outer loop of the bubble/dew point iteration. - /// verbosity : Verbosity, optional - /// The verbosity of the bubble/dew point iteration. - /// - /// Returns - /// ------- - /// PhaseDiagram - #[staticmethod] - #[pyo3( - text_signature = "(eos, molefracs, min_temperature, npoints, critical_temperature=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None)" - )] - #[pyo3(signature = (eos, molefracs, min_temperature, npoints, critical_temperature=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None))] - #[expect(clippy::too_many_arguments)] - pub(crate) fn bubble_point_line<'py>( - eos: &PyEquationOfState, - molefracs: PyReadonlyArray1<'py, f64>, - min_temperature: Temperature, - npoints: usize, - critical_temperature: Option, - max_iter_inner: Option, - max_iter_outer: Option, - tol_inner: Option, - tol_outer: Option, - verbosity: Option, - ) -> PyResult { - let dia = PhaseDiagram::bubble_point_line( - &eos.0, - &parse_molefracs(Some(molefracs)).unwrap(), - min_temperature, - npoints, - critical_temperature, - ( - (max_iter_inner, tol_inner, verbosity.map(|v| v.into())).into(), - (max_iter_outer, tol_outer, verbosity.map(|v| v.into())).into(), - ), - ) - .map_err(PyFeosError::from)?; - Ok(Self(dia)) - } - - /// Calculate the dew point line of a mixture with given composition. - /// - /// In the resulting phase diagram, the vapor states correspond to the - /// dew point line while the liquid states contain the corresponding - /// equilibrium states at different compositions. - /// - /// Parameters - /// ---------- - /// eos: Eos - /// The equation of state. - /// molefracs: np.ndarray[float] - /// The composition of the vapor phase. - /// min_temperature: SINumber - /// The lower limit for the temperature. - /// npoints: int - /// The number of points. - /// critical_temperature: SINumber, optional - /// An estimate for the critical temperature to initialize - /// the calculation if necessary. For most components not necessary. - /// Defaults to `None`. - /// max_iter_inner : int, optional - /// The maximum number of inner iterations in the bubble/dew point iteration. - /// max_iter_outer : int, optional - /// The maximum number of outer iterations in the bubble/dew point iteration. - /// tol_inner : float, optional - /// The solution tolerance in the inner loop of the bubble/dew point iteration. - /// tol_outer : float, optional - /// The solution tolerance in the outer loop of the bubble/dew point iteration. - /// verbosity : Verbosity, optional - /// The verbosity of the bubble/dew point iteration. - /// - /// Returns - /// ------- - /// PhaseDiagram - #[staticmethod] - #[pyo3( - text_signature = "(eos, molefracs, min_temperature, npoints, critical_temperature=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None)" - )] - #[pyo3(signature = (eos, molefracs, min_temperature, npoints, critical_temperature=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None))] - #[expect(clippy::too_many_arguments)] - pub(crate) fn dew_point_line<'py>( - eos: &PyEquationOfState, - molefracs: PyReadonlyArray1<'py, f64>, - min_temperature: Temperature, - npoints: usize, - critical_temperature: Option, - max_iter_inner: Option, - max_iter_outer: Option, - tol_inner: Option, - tol_outer: Option, - verbosity: Option, - ) -> PyResult { - let dia = PhaseDiagram::dew_point_line( - &eos.0, - &parse_molefracs(Some(molefracs)).unwrap(), - min_temperature, - npoints, - critical_temperature, - ( - (max_iter_inner, tol_inner, verbosity.map(|v| v.into())).into(), - (max_iter_outer, tol_outer, verbosity.map(|v| v.into())).into(), - ), - ) - .map_err(PyFeosError::from)?; - Ok(Self(dia)) - } - - /// Calculate the spinodal lines for a mixture with fixed composition. - /// - /// Parameters - /// ---------- - /// eos: Eos - /// The equation of state. - /// molefracs: np.ndarray[float] - /// The composition of the mixture. - /// min_temperature: SINumber - /// The lower limit for the temperature. - /// npoints: int - /// The number of points. - /// critical_temperature: SINumber, optional - /// An estimate for the critical temperature to initialize - /// the calculation if necessary. For most components not necessary. - /// Defaults to `None`. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// PhaseDiagram - #[staticmethod] - #[pyo3( - text_signature = "(eos, molefracs, min_temperature, npoints, critical_temperature=None, max_iter=None, tol=None, verbosity=None)" - )] - #[pyo3(signature = (eos, molefracs, min_temperature, npoints, critical_temperature=None, max_iter=None, tol=None, verbosity=None))] - #[expect(clippy::too_many_arguments)] - pub(crate) fn spinodal<'py>( - eos: &PyEquationOfState, - molefracs: PyReadonlyArray1<'py, f64>, - min_temperature: Temperature, - npoints: usize, - critical_temperature: Option, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult { - let dia = PhaseDiagram::spinodal( - &eos.0, - &parse_molefracs(Some(molefracs)).unwrap(), - min_temperature, - npoints, - critical_temperature, - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ) - .map_err(PyFeosError::from)?; - Ok(Self(dia)) - } - - #[getter] - pub(crate) fn get_states(&self) -> Vec { - self.0 - .states - .iter() - .map(|vle| PyPhaseEquilibrium(vle.clone())) - .collect() - } - - #[getter] - pub(crate) fn get_vapor(&self) -> PyStateVec { - self.0.vapor().into() - } - - #[getter] - pub(crate) fn get_liquid(&self) -> PyStateVec { - self.0.liquid().into() - } - - /// Returns the phase diagram as dictionary. - /// - /// Parameters - /// ---------- - /// contributions : Contributions, optional - /// The contributions to consider when calculating properties. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// Dict[str, List[float]] - /// Keys: property names. Values: property for each state. - /// - /// Notes - /// ----- - /// - temperature : K - /// - pressure : Pa - /// - densities : mol / m³ - /// - mass densities : kg / m³ - /// - molar enthalpies : kJ / mol - /// - molar entropies : kJ / mol / K - /// - specific enthalpies : kJ / kg - /// - specific entropies : kJ / kg / K - /// - xi: liquid molefraction of component i - /// - yi: vapor molefraction of component i - /// - component index `i` matches to order of components in parameters. - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - pub(crate) fn to_dict(&self, contributions: PyContributions) -> IndexMap> { - let n = self.0.states[0].liquid().eos.deref().components(); - let c = Contributions::from(contributions); - let mut dict = IndexMap::with_capacity(16 + 2 * n); - if n != 1 { - let xs = self.0.liquid().molefracs(); - let ys = self.0.vapor().molefracs(); - for i in 0..n { - dict.insert(format!("x{i}"), xs.column(i).to_vec()); - dict.insert(format!("y{i}"), ys.column(i).to_vec()); - } - } - dict.insert( - String::from("temperature"), - self.0 - .vapor() - .temperature() - .convert_to(KELVIN) - .into_raw_vec_and_offset() - .0, - ); - - // Check if liquid and vapor pressures are different (e.g. if ) - let p_v = self - .0 - .vapor() - .pressure() - .convert_to(PASCAL) - .into_raw_vec_and_offset() - .0; - let p_l = self - .0 - .liquid() - .pressure() - .convert_to(PASCAL) - .into_raw_vec_and_offset() - .0; - let different_pressures = p_v - .iter() - .zip(p_l.iter()) - .any(|(pv, pl)| (pv - pl).abs() / pv > 1e-3); - - if different_pressures { - dict.insert(String::from("pressure vapor"), p_v); - dict.insert(String::from("pressure liquid"), p_l); - } else { - dict.insert(String::from("pressure"), p_v); - } - dict.insert( - String::from("density liquid"), - self.0 - .liquid() - .density() - .convert_to(MOL / METER.powi::()) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("density vapor"), - self.0 - .vapor() - .density() - .convert_to(MOL / METER.powi::()) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("molar enthalpy liquid"), - self.0 - .liquid() - .molar_enthalpy(c) - .convert_to(KILO * JOULE / MOL) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("molar enthalpy vapor"), - self.0 - .vapor() - .molar_enthalpy(c) - .convert_to(KILO * JOULE / MOL) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("molar entropy liquid"), - self.0 - .liquid() - .molar_entropy(c) - .convert_to(KILO * JOULE / KELVIN / MOL) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("molar entropy vapor"), - self.0 - .vapor() - .molar_entropy(c) - .convert_to(KILO * JOULE / KELVIN / MOL) - .into_raw_vec_and_offset() - .0, - ); - if self.0.states[0].liquid().eos.residual.has_molar_weight() { - dict.insert( - String::from("mass density liquid"), - self.0 - .liquid() - .mass_density() - .convert_to(KILOGRAM / METER.powi::()) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("mass density vapor"), - self.0 - .vapor() - .mass_density() - .convert_to(KILOGRAM / METER.powi::()) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("specific enthalpy liquid"), - self.0 - .liquid() - .specific_enthalpy(c) - .convert_to(KILO * JOULE / KILOGRAM) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("specific enthalpy vapor"), - self.0 - .vapor() - .specific_enthalpy(c) - .convert_to(KILO * JOULE / KILOGRAM) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("specific entropy liquid"), - self.0 - .liquid() - .specific_entropy(c) - .convert_to(KILO * JOULE / KELVIN / KILOGRAM) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("specific entropy vapor"), - self.0 - .vapor() - .specific_entropy(c) - .convert_to(KILO * JOULE / KELVIN / KILOGRAM) - .into_raw_vec_and_offset() - .0, - ); - } - dict - } - - /// Binary phase diagram calculated using bubble/dew point iterations. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state. - /// temperature_or_pressure: SINumber - /// The constant temperature or pressure. - /// npoints: int, optional - /// The number of points (default 51). - /// x_lle: (float, float), optional - /// An estimate for the molefractions of component 1 - /// at the heteroazeotrop - /// max_iter_inner : int, optional - /// The maximum number of inner iterations in the bubble/dew point iteration. - /// max_iter_outer : int, optional - /// The maximum number of outer iterations in the bubble/dew point iteration. - /// tol_inner : float, optional - /// The solution tolerance in the inner loop of the bubble/dew point iteration. - /// tol_outer : float, optional - /// The solution tolerance in the outer loop of the bubble/dew point iteration. - /// verbosity : Verbosity, optional - /// The verbosity of the bubble/dew point iteration. - /// - /// Returns - /// ------- - /// PhaseDiagram - #[staticmethod] - #[pyo3( - text_signature = "(eos, temperature_or_pressure, npoints=None, x_lle=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None)" - )] - #[pyo3(signature = (eos, temperature_or_pressure, npoints=None, x_lle=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None))] - #[expect(clippy::too_many_arguments)] - pub(crate) fn binary_vle( - eos: &PyEquationOfState, - temperature_or_pressure: Bound<'_, PyAny>, - npoints: Option, - x_lle: Option<(f64, f64)>, - max_iter_inner: Option, - max_iter_outer: Option, - tol_inner: Option, - tol_outer: Option, - verbosity: Option, - ) -> PyResult { - if let Ok(t) = temperature_or_pressure.extract::() { - Ok(Self( - PhaseDiagram::binary_vle( - &eos.0, - t, - npoints, - x_lle, - ( - (max_iter_inner, tol_inner, verbosity.map(|v| v.into())).into(), - (max_iter_outer, tol_outer, verbosity.map(|v| v.into())).into(), - ), - ) - .map_err(PyFeosError::from)?, - )) - } else if let Ok(p) = temperature_or_pressure.extract::() { - Ok(Self( - PhaseDiagram::binary_vle( - &eos.0, - p, - npoints, - x_lle, - ( - (max_iter_inner, tol_inner, verbosity.map(|v| v.into())).into(), - (max_iter_outer, tol_outer, verbosity.map(|v| v.into())).into(), - ), - ) - .map_err(PyFeosError::from)?, - )) - } else { - Err(PyErr::new::(format!( - "Wrong units! Expected K or Pa, got {}.", - temperature_or_pressure.call_method0("__repr__")? - ))) - } - } - - /// Create a new phase diagram using Tp flash calculations. - /// - /// The usual use case for this function is the calculation of - /// liquid-liquid phase diagrams, but it can be used for vapor- - /// liquid diagrams as well, as long as the feed composition is - /// in a two phase region. - /// - /// Parameters - /// ---------- - /// eos : EquationOfState - /// The equation of state. - /// temperature_or_pressure: SINumber - /// The consant temperature or pressure. - /// feed: SIArray1 - /// Mole numbers in the (unstable) feed state. - /// min_tp: - /// The lower limit of the temperature/pressure range. - /// max_tp: - /// The upper limit of the temperature/pressure range. - /// npoints: int, optional - /// The number of points (default 51). - /// - /// Returns - /// ------- - /// PhaseDiagram - #[staticmethod] - #[pyo3(text_signature = "(eos, temperature_or_pressure, feed, min_tp, max_tp, npoints=None)")] - #[pyo3(signature = (eos, temperature_or_pressure, feed, min_tp, max_tp, npoints=None))] - pub(crate) fn lle( - eos: &PyEquationOfState, - temperature_or_pressure: Bound<'_, PyAny>, - feed: Moles>, - min_tp: Bound<'_, PyAny>, - max_tp: Bound<'_, PyAny>, - npoints: Option, - ) -> PyResult { - if let Ok(t) = temperature_or_pressure.extract::() { - Ok(Self( - PhaseDiagram::lle( - &eos.0, - t, - &feed, - min_tp.extract()?, - max_tp.extract()?, - npoints, - ) - .map_err(PyFeosError::from)?, - )) - } else if let Ok(p) = temperature_or_pressure.extract::() { - Ok(Self( - PhaseDiagram::lle( - &eos.0, - p, - &feed, - min_tp.extract()?, - max_tp.extract()?, - npoints, - ) - .map_err(PyFeosError::from)?, - )) - } else { - Err(PyErr::new::(format!( - "Wrong units! Expected K or Pa, got {}.", - temperature_or_pressure.call_method0("__repr__")? - ))) - } - } -} - -/// Phase diagram for a binary mixture exhibiting a heteroazeotrope. -#[pyclass(name = "PhaseDiagramHetero")] -pub struct PyPhaseDiagramHetero( - PhaseDiagramHetero, ResidualModel>>>, -); - -#[pymethods] -impl PyPhaseDiagram { - /// Phase diagram for a binary mixture exhibiting a heteroazeotrope. - /// - /// Parameters - /// ---------- - /// eos: SaftFunctional - /// The SAFT Helmholtz energy functional. - /// temperature_or_pressure: SINumber - /// The temperature_or_pressure. - /// x_lle: SINumber - /// Initial values for the molefractions of component 1 - /// at the heteroazeotrop. - /// tp_lim_lle: SINumber, optional - /// The minimum temperature up to which the LLE is calculated. - /// If it is not provided, no LLE is calcualted. - /// tp_init_vlle: SINumber, optional - /// Initial value for the calculation of the VLLE. - /// npoints_vle: int, optional - /// The number of points for the VLE (default 51). - /// npoints_lle: int, optional - /// The number of points for the LLE (default 51). - /// max_iter_inner : int, optional - /// The maximum number of inner iterations in the bubble/dew point iteration. - /// max_iter_outer : int, optional - /// The maximum number of outer iterations in the bubble/dew point iteration. - /// tol_inner : float, optional - /// The solution tolerance in the inner loop of the bubble/dew point iteration. - /// tol_outer : float, optional - /// The solution tolerance in the outer loop of the bubble/dew point iteration. - /// verbosity : Verbosity, optional - /// The verbosity of the bubble/dew point iteration. - /// - /// Returns - /// ------- - /// PhaseDiagramHetero - #[staticmethod] - #[pyo3( - text_signature = "(eos, temperature_or_pressure, x_lle, tp_lim_lle=None, tp_init_vlle=None, npoints_vle=None, npoints_lle=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None)" - )] - #[pyo3(signature = (eos, temperature_or_pressure, x_lle, tp_lim_lle=None, tp_init_vlle=None, npoints_vle=None, npoints_lle=None, max_iter_inner=None, max_iter_outer=None, tol_inner=None, tol_outer=None, verbosity=None))] - #[expect(clippy::too_many_arguments)] - pub(crate) fn binary_vlle( - eos: &PyEquationOfState, - temperature_or_pressure: Bound<'_, PyAny>, - x_lle: (f64, f64), - tp_lim_lle: Option>, - tp_init_vlle: Option>, - npoints_vle: Option, - npoints_lle: Option, - max_iter_inner: Option, - max_iter_outer: Option, - tol_inner: Option, - tol_outer: Option, - verbosity: Option, - ) -> PyResult { - if let Ok(t) = temperature_or_pressure.extract::() { - Ok(PyPhaseDiagramHetero( - PhaseDiagram::binary_vlle( - &eos.0, - t, - x_lle, - tp_lim_lle.map(|t| t.extract()).transpose()?, - tp_init_vlle.map(|t| t.extract()).transpose()?, - npoints_vle, - npoints_lle, - ( - (max_iter_inner, tol_inner, verbosity.map(|v| v.into())).into(), - (max_iter_outer, tol_outer, verbosity.map(|v| v.into())).into(), - ), - ) - .map_err(PyFeosError::from)?, - )) - } else if let Ok(p) = temperature_or_pressure.extract::() { - Ok(PyPhaseDiagramHetero( - PhaseDiagram::binary_vlle( - &eos.0, - p, - x_lle, - tp_lim_lle.map(|t| t.extract()).transpose()?, - tp_init_vlle.map(|t| t.extract()).transpose()?, - npoints_vle, - npoints_lle, - ( - (max_iter_inner, tol_inner, verbosity.map(|v| v.into())).into(), - (max_iter_outer, tol_outer, verbosity.map(|v| v.into())).into(), - ), - ) - .map_err(PyFeosError::from)?, - )) - } else { - Err(PyErr::new::(format!( - "Wrong units! Expected K or Pa, got {}.", - temperature_or_pressure.call_method0("__repr__")? - ))) - } - } -} - -#[pymethods] -impl PyPhaseDiagramHetero { - #[getter] - pub(crate) fn get_vle(&self) -> PyPhaseDiagram { - PyPhaseDiagram(self.0.vle().clone()) - } - - #[getter] - pub(crate) fn get_vle1(&self) -> PyPhaseDiagram { - PyPhaseDiagram(self.0.vle1.clone()) - } - - #[getter] - pub(crate) fn get_vle2(&self) -> PyPhaseDiagram { - PyPhaseDiagram(self.0.vle2.clone()) - } - - #[getter] - pub(crate) fn get_lle(&self) -> Option { - self.0.lle.as_ref().map(|d| PyPhaseDiagram(d.clone())) - } -} diff --git a/py-feos/src/residual.rs b/py-feos/src/residual.rs deleted file mode 100644 index edb93c0c8..000000000 --- a/py-feos/src/residual.rs +++ /dev/null @@ -1,116 +0,0 @@ -use feos_core::cubic::PengRobinson; -use feos_core::*; -#[cfg(feature = "dft")] -use feos_derive::{FunctionalContribution, HelmholtzEnergyFunctionalDyn}; -use feos_derive::{ResidualDyn, Subset}; -#[cfg(feature = "dft")] -use feos_dft::{FunctionalContribution, HelmholtzEnergyFunctionalDyn}; -use indexmap::IndexMap; -use nalgebra::{DMatrix, DVector}; -#[cfg(feature = "dft")] -use ndarray::Array1; -use num_dual::DualNum; -use quantity::*; - -/// Collection of different [Residual] implementations. -/// -/// Particularly relevant for situations in which generic types -/// are undesirable (e.g. FFI). -#[cfg_attr(feature = "dft", derive(HelmholtzEnergyFunctionalDyn))] -#[derive(ResidualDyn, Subset)] -#[expect(clippy::large_enum_variant)] -pub enum ResidualModel { - // Equations of state - NoResidual(NoResidual), - - #[cfg(feature = "pcsaft")] - #[implement(molar_weight, parameter_info, entropy_scaling)] - PcSaft(feos::pcsaft::PcSaft), - - #[cfg(feature = "epcsaft")] - #[implement(molar_weight, parameter_info)] - ElectrolytePcSaft(feos::epcsaft::ElectrolytePcSaft), - - #[cfg(feature = "gc_pcsaft")] - #[implement(molar_weight)] - GcPcSaft(feos::gc_pcsaft::GcPcSaft), - - #[implement(molar_weight, parameter_info)] - PengRobinson(PengRobinson), - - #[implement(molar_weight)] - Python(crate::user_defined::PyResidual), - - #[cfg(feature = "saftvrqmie")] - #[implement(molar_weight, parameter_info)] - SaftVRQMie(feos::saftvrqmie::SaftVRQMie), - - #[cfg(feature = "saftvrmie")] - #[implement(molar_weight, parameter_info)] - SaftVRMie(feos::saftvrmie::SaftVRMie), - - #[cfg(feature = "pets")] - #[implement(molar_weight, parameter_info)] - Pets(feos::pets::Pets), - - #[cfg(feature = "uvtheory")] - #[implement(molar_weight, parameter_info)] - UVTheory(feos::uvtheory::UVTheory), - - #[cfg(feature = "multiparameter")] - #[implement(molar_weight)] - MultiParameter(feos::multiparameter::MultiParameter), - - // Helmholtz energy functionals - #[cfg(all(feature = "dft", feature = "pcsaft"))] - #[implement( - molar_weight, - parameter_info, - functional, - fluid_parameters, - pair_potential - )] - PcSaftFunctional(feos::pcsaft::PcSaftFunctional), - - #[cfg(all(feature = "dft", feature = "gc_pcsaft"))] - #[implement(molar_weight, functional, fluid_parameters, bond_lengths)] - GcPcSaftFunctional(feos::gc_pcsaft::GcPcSaftFunctional), - - #[cfg(all(feature = "dft", feature = "pets"))] - #[implement( - molar_weight, - parameter_info, - functional, - fluid_parameters, - pair_potential - )] - PetsFunctional(feos::pets::Pets), - - #[cfg(feature = "dft")] - #[implement(functional, fluid_parameters, pair_potential)] - FmtFunctional(feos::hard_sphere::FMTFunctional), - - #[cfg(all(feature = "dft", feature = "saftvrqmie"))] - #[implement( - molar_weight, - parameter_info, - functional, - fluid_parameters, - pair_potential - )] - SaftVRQMieFunctional(feos::saftvrqmie::SaftVRQMie), -} - -#[cfg(feature = "dft")] -#[derive(FunctionalContribution)] -pub enum FunctionalContributionVariant<'a> { - #[cfg(feature = "pcsaft")] - PcSaftFunctional(feos::pcsaft::PcSaftFunctionalContribution<'a>), - #[cfg(feature = "gc_pcsaft")] - GcPcSaftFunctional(feos::gc_pcsaft::GcPcSaftFunctionalContribution<'a>), - #[cfg(feature = "pets")] - PetsFunctional(feos::pets::PetsFunctionalContribution<'a>), - Fmt(feos::hard_sphere::FMTContribution<'a, feos::hard_sphere::HardSphereParameters>), - #[cfg(feature = "saftvrqmie")] - SaftVRQMieFunctional(feos::saftvrqmie::SaftVRQMieFunctionalContribution<'a>), -} diff --git a/py-feos/src/state.rs b/py-feos/src/state.rs deleted file mode 100644 index 2b5492d85..000000000 --- a/py-feos/src/state.rs +++ /dev/null @@ -1,1684 +0,0 @@ -use crate::eos::parse_molefracs; -use crate::{ - eos::PyEquationOfState, error::PyFeosError, ideal_gas::IdealGasModel, residual::ResidualModel, - PyVerbosity, -}; -use feos_core::{ - Contributions, DensityInitialization, EquationOfState, FeosError, ResidualDyn, State, StateVec, -}; -use ndarray::{Array1, Array2}; -use numpy::nalgebra::{DMatrix, DVector}; -use numpy::{IntoPyArray, PyArray1, PyArray2, PyReadonlyArray1, ToPyArray}; -use pyo3::exceptions::{PyIndexError, PyValueError}; -use pyo3::prelude::*; -use quantity::*; -use std::collections::HashMap; -use std::ops::{Deref, Neg, Sub}; -use std::sync::Arc; -use typenum::{Quot, P3}; - -type DpDn = Quantity>::Output>; -type InvT = Quantity::Output>; -type InvP = Quantity::Output>; -type InvM = Quantity::Output>; - -/// Possible contributions that can be computed. -#[derive(Clone, Copy, PartialEq)] -#[pyclass(name = "Contributions", eq, eq_int)] -pub enum PyContributions { - /// Only compute the ideal gas contribution - IdealGas, - /// Only compute the difference between the total and the ideal gas contribution - Residual, - /// Compute ideal gas and residual contributions - Total, -} - -impl From for PyContributions { - fn from(value: Contributions) -> Self { - use Contributions::*; - match value { - IdealGas => Self::IdealGas, - Residual => Self::Residual, - Total => Self::Total, - } - } -} - -impl From for Contributions { - fn from(value: PyContributions) -> Self { - use PyContributions::*; - match value { - IdealGas => Self::IdealGas, - Residual => Self::Residual, - Total => Self::Total, - } - } -} - -/// A thermodynamic state at given conditions. -/// -/// Parameters -/// ---------- -/// eos : Eos -/// The equation of state to use. -/// temperature : SINumber, optional -/// Temperature. -/// volume : SINumber, optional -/// Volume. -/// density : SINumber, optional -/// Molar density. -/// partial_density : SIArray1, optional -/// Partial molar densities. -/// total_moles : SINumber, optional -/// Total amount of substance (of a mixture). -/// moles : SIArray1, optional -/// Amount of substance for each component. -/// molefracs : numpy.ndarray[float] -/// Molar fraction of each component. -/// pressure : SINumber, optional -/// Pressure. -/// molar_enthalpy : SINumber, optional -/// Molar enthalpy. -/// molar_entropy : SINumber, optional -/// Molar entropy. -/// molar_internal_energy: SINumber, optional -/// Molar internal energy -/// density_initialization : {'vapor', 'liquid', SINumber, None}, optional -/// Method used to initialize density for density iteration. -/// 'vapor' and 'liquid' are inferred from the maximum density of the equation of state. -/// If no density or keyword is provided, the vapor and liquid phase is tested and, if -/// different, the result with the lower free energy is returned. -/// initial_temperature : SINumber, optional -/// Initial temperature for temperature iteration. Can improve convergence -/// when the state is specified with pressure and molar entropy or enthalpy. -/// -/// Returns -/// ------- -/// State : state at given conditions -/// -/// Raises -/// ------ -/// Error -/// When the state cannot be created using the combination of input. -#[pyclass(name = "State")] -#[derive(Clone)] -pub struct PyState(pub State, ResidualModel>>>); - -#[pymethods] -impl PyState { - #[new] - #[pyo3( - text_signature = "(eos, temperature=None, volume=None, density=None, partial_density=None, total_moles=None, moles=None, molefracs=None, pressure=None, molar_enthalpy=None, molar_entropy=None, molar_internal_energy=None, density_initialization=None, initial_temperature=None)" - )] - #[pyo3(signature = (eos, temperature=None, volume=None, density=None, partial_density=None, total_moles=None, moles=None, molefracs=None, pressure=None, molar_enthalpy=None, molar_entropy=None, molar_internal_energy=None, density_initialization=None, initial_temperature=None))] - #[expect(clippy::too_many_arguments)] - pub fn new<'py>( - eos: &PyEquationOfState, - temperature: Option, - volume: Option, - density: Option, - partial_density: Option>>, - total_moles: Option, - moles: Option>>, - molefracs: Option>, - pressure: Option, - molar_enthalpy: Option, - molar_entropy: Option, - molar_internal_energy: Option, - density_initialization: Option<&Bound<'py, PyAny>>, - initial_temperature: Option, - ) -> PyResult { - let x = parse_molefracs(molefracs); - let density_init = if let Some(di) = density_initialization { - if let Ok(d) = di.extract::().as_deref() { - match d { - "vapor" => Ok(Some(DensityInitialization::Vapor)), - "liquid" => Ok(Some(DensityInitialization::Liquid)), - _ => Err(PyErr::new::( - "`density_initialization` must be 'vapor' or 'liquid'.".to_string(), - )), - } - } else if let Ok(d) = di.extract::() { - Ok(Some(DensityInitialization::InitialDensity(d))) - } else { - Err(PyErr::new::("`density_initialization` must be 'vapor' or 'liquid' or a molar density as `SINumber` has to be provided.".to_string())) - } - } else { - Ok(None) - }; - let s = State::new_full( - &eos.0, - temperature, - volume, - density, - partial_density.as_ref(), - total_moles, - moles.as_ref(), - x.as_ref(), - pressure, - molar_enthalpy, - molar_entropy, - molar_internal_energy, - density_init?, - initial_temperature, - ) - .map_err(PyFeosError::from)?; - Ok(Self(s)) - } - - /// Return a list of thermodynamic state at critical conditions - /// for each pure substance in the system. - /// - /// Parameters - /// ---------- - /// eos: EquationOfState - /// The equation of state to use. - /// initial_temperature: SINumber, optional - /// The initial temperature. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// list[State] : List of pure-substance State objects at critical conditions. - #[staticmethod] - #[pyo3( - text_signature = "(eos, initial_temperature=None, initial_density=None, max_iter=None, tol=None, verbosity=None)" - )] - #[pyo3(signature = (eos, initial_temperature=None, initial_density=None, max_iter=None, tol=None, verbosity=None))] - fn critical_point_pure( - eos: &PyEquationOfState, - initial_temperature: Option, - initial_density: Option, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult> { - let cp = State::critical_point_pure( - &eos.0, - initial_temperature, - initial_density, - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ) - .map_err(PyFeosError::from)?; - Ok(cp.into_iter().map(Self).collect()) - } - - /// Create a thermodynamic state at critical conditions. - /// - /// Parameters - /// ---------- - /// eos: EquationOfState - /// The equation of state to use. - /// molefracs: np.ndarray[float], optional - /// Molar composition. - /// Only optional for a pure component. - /// initial_temperature: SINumber, optional - /// The initial temperature. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// State : State at critical conditions. - #[staticmethod] - #[pyo3( - text_signature = "(eos, molefracs=None, initial_temperature=None, initial_density=None, max_iter=None, tol=None, verbosity=None)" - )] - #[pyo3(signature = (eos, molefracs=None, initial_temperature=None, initial_density=None, max_iter=None, tol=None, verbosity=None))] - fn critical_point<'py>( - eos: &PyEquationOfState, - molefracs: Option>, - initial_temperature: Option, - initial_density: Option, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult { - Ok(PyState( - State::critical_point( - &eos.0, - parse_molefracs(molefracs).as_ref(), - initial_temperature, - initial_density, - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ) - .map_err(PyFeosError::from)?, - )) - } - - /// Create a thermodynamic state at critical conditions for a binary system. - /// - /// Parameters - /// ---------- - /// eos: EquationOfState - /// The equation of state to use. - /// temperature_or_pressure: SINumber - /// temperature_or_pressure. - /// initial_temperature: SINumber, optional - /// An initial guess for the temperature. - /// initial_molefracs: [float], optional - /// An initial guess for the composition. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// State : State at critical conditions. - #[staticmethod] - #[pyo3( - text_signature = "(eos, temperature_or_pressure, initial_temperature=None, initial_molefracs=None, initial_density=None, max_iter=None, tol=None, verbosity=None)" - )] - #[pyo3(signature = (eos, temperature_or_pressure, initial_temperature=None, initial_molefracs=None, initial_density=None, max_iter=None, tol=None, verbosity=None))] - #[expect(clippy::too_many_arguments)] - fn critical_point_binary( - eos: &PyEquationOfState, - temperature_or_pressure: Bound<'_, PyAny>, - initial_temperature: Option, - initial_molefracs: Option<[f64; 2]>, - initial_density: Option, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult { - let v = verbosity.map(|v| v.into()); - if let Ok(t) = temperature_or_pressure.extract::() { - Ok(PyState( - State::critical_point_binary( - &eos.0, - t, - initial_temperature, - initial_molefracs, - initial_density, - (max_iter, tol, v).into(), - ) - .map_err(PyFeosError::from)?, - )) - } else if let Ok(p) = temperature_or_pressure.extract::() { - Ok(PyState( - State::critical_point_binary( - &eos.0, - p, - initial_temperature, - initial_molefracs, - initial_density, - (max_iter, tol, v).into(), - ) - .map_err(PyFeosError::from)?, - )) - } else { - let repr = temperature_or_pressure - .call_method0("__repr__") - .map_err(|e| FeosError::Error(e.to_string())) - .map_err(PyFeosError::from)?; - let err = FeosError::WrongUnits("K or Pa".to_string(), repr.to_string()); - Err(PyFeosError::from(err).into()) - } - } - - /// Calculate spinodal states for a given temperature and composition. - /// - /// Parameters - /// ---------- - /// eos: EquationOfState - /// The equation of state to use. - /// temperature: SINumber - /// The temperature. - /// molefracs: np.ndarray[float], optional - /// Molar composition. - /// Only optional for a pure component. - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// (State, State): Spinodal states. - #[staticmethod] - #[pyo3( - text_signature = "(eos, temperature, molefracs=None, max_iter=None, tol=None, verbosity=None)" - )] - #[pyo3(signature = (eos, temperature, molefracs=None, max_iter=None, tol=None, verbosity=None))] - fn spinodal<'py>( - eos: &PyEquationOfState, - temperature: Temperature, - molefracs: Option>, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult<(Self, Self)> { - let [state1, state2] = State::spinodal( - &eos.0, - temperature, - parse_molefracs(molefracs).as_ref(), - (max_iter, tol, verbosity.map(|v| v.into())).into(), - ) - .map_err(PyFeosError::from)?; - Ok((PyState(state1), PyState(state2))) - } - - /// Performs a stability analysis and returns a list of stable - /// candidate states. - /// - /// Parameters - /// ---------- - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// State - #[pyo3(text_signature = "(max_iter=None, tol=None, verbosity=None)")] - #[pyo3(signature = (max_iter=None, tol=None, verbosity=None))] - fn stability_analysis( - &self, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult> { - Ok(self - .0 - .stability_analysis((max_iter, tol, verbosity.map(|v| v.into())).into()) - .map_err(PyFeosError::from)? - .into_iter() - .map(Self) - .collect()) - } - - /// Performs a stability analysis and returns whether the state - /// is stable - /// - /// Parameters - /// ---------- - /// max_iter : int, optional - /// The maximum number of iterations. - /// tol: float, optional - /// The solution tolerance. - /// verbosity : Verbosity, optional - /// The verbosity. - /// - /// Returns - /// ------- - /// bool - #[pyo3(text_signature = "(max_iter=None, tol=None, verbosity=None)")] - #[pyo3(signature = (max_iter=None, tol=None, verbosity=None))] - fn is_stable( - &self, - max_iter: Option, - tol: Option, - verbosity: Option, - ) -> PyResult { - Ok(self - .0 - .is_stable((max_iter, tol, verbosity.map(|v| v.into())).into()) - .map_err(PyFeosError::from)?) - } - - /// Return pressure. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn pressure(&self, contributions: PyContributions) -> Pressure { - self.0.pressure(contributions.into()) - } - - /// Return pressure contributions. - /// - /// Returns - /// ------- - /// List[Tuple[str, SINumber]] - fn pressure_contributions(&self) -> Vec<(&'static str, Pressure)> { - self.0.pressure_contributions() - } - - /// Return compressibility. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// float - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn compressibility(&self, contributions: PyContributions) -> f64 { - self.0.compressibility(contributions.into()) - } - - /// Return partial derivative of pressure w.r.t. volume. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn dp_dv(&self, contributions: PyContributions) -> Quot { - self.0.dp_dv(contributions.into()) - } - - /// Return partial derivative of pressure w.r.t. density. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn dp_drho(&self, contributions: PyContributions) -> Quot { - self.0.dp_drho(contributions.into()) - } - - /// Return partial derivative of pressure w.r.t. temperature. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn dp_dt(&self, contributions: PyContributions) -> Quot { - self.0.dp_dt(contributions.into()) - } - - /// Return partial derivative of pressure w.r.t. amount of substance. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SIArray1 - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn dp_dni(&self, contributions: PyContributions) -> DpDn> { - self.0.dp_dni(contributions.into()) - } - - /// Return second partial derivative of pressure w.r.t. volume. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn d2p_dv2(&self, contributions: PyContributions) -> Quot, Volume> { - self.0.d2p_dv2(contributions.into()) - } - - /// Return second partial derivative of pressure w.r.t. density. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn d2p_drho2(&self, contributions: PyContributions) -> Quot, Density> { - self.0.d2p_drho2(contributions.into()) - } - - /// Return partial molar volume of each component. - /// - /// Returns - /// ------- - /// SIArray1 - fn partial_molar_volume(&self) -> MolarVolume> { - self.0.partial_molar_volume() - } - - /// Return chemical potential of each component. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SIArray1 - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn chemical_potential(&self, contributions: PyContributions) -> MolarEnergy> { - self.0.chemical_potential(contributions.into()) - } - - /// Return chemical potential contributions. - /// - /// Parameters - /// ---------- - /// component: int - /// the component for which the contributions - /// are calculated - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// List[Tuple[str, SINumber]] - #[pyo3(signature = (component, contributions=PyContributions::Total), text_signature = "($self, component, contributions)")] - fn chemical_potential_contributions( - &self, - component: usize, - contributions: PyContributions, - ) -> Vec<(&'static str, MolarEnergy)> { - self.0 - .chemical_potential_contributions(component, contributions.into()) - } - - /// Return derivative of chemical potential w.r.t temperature. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SIArray1 - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn dmu_dt( - &self, - contributions: PyContributions, - ) -> Quot>, Temperature> { - self.0.dmu_dt(contributions.into()) - } - - /// Return derivative of chemical potential w.r.t amount of substance. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SIArray2 - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn dmu_dni(&self, contributions: PyContributions) -> Quot>, Moles> { - self.0.dmu_dni(contributions.into()) - } - - /// Return logarithmic fugacity coefficient. - /// - /// Returns - /// ------- - /// numpy.ndarray - fn ln_phi<'py>(&self, py: Python<'py>) -> Bound<'py, PyArray1> { - PyArray1::from_slice(py, self.0.ln_phi().as_slice()) - } - - /// Return logarithmic fugacity coefficient of all components treated as - /// pure substance at mixture temperature and pressure. - /// - /// Returns - /// ------- - /// numpy.ndarray - fn ln_phi_pure_liquid<'py>(&self, py: Python<'py>) -> PyResult>> { - Ok(PyArray1::from_slice( - py, - self.0 - .ln_phi_pure_liquid() - .map_err(PyFeosError::from)? - .as_slice(), - )) - } - - /// Return logarithmic symmetric activity coefficient. - /// - /// Returns - /// ------- - /// numpy.ndarray - fn ln_symmetric_activity_coefficient<'py>( - &self, - py: Python<'py>, - ) -> PyResult>> { - Ok(PyArray1::from_slice( - py, - self.0 - .ln_symmetric_activity_coefficient() - .map_err(PyFeosError::from)? - .as_slice(), - )) - } - - /// Return Henry's law constant of every solute (x_i=0) for a given solvent (x_i>0). - /// - /// Parameters - /// ---------- - /// eos : Eos - /// The equation of state to use. - /// temperature : SINumber - /// Temperature. - /// molefracs : np.ndarray[float] - /// Composition of the solvent including x_i=0 for solutes. - /// - /// Returns - /// ------- - /// SIArray1 - #[staticmethod] - fn henrys_law_constant( - eos: &PyEquationOfState, - temperature: Temperature, - molefracs: PyReadonlyArray1, - ) -> PyResult> { - Ok(State::henrys_law_constant( - &eos.0, - temperature, - &parse_molefracs(Some(molefracs)).unwrap(), - ) - .map_err(PyFeosError::from)?) - } - - /// Return Henry's law constant of a binary system, assuming the first - /// component is the solute and the second component is the solvent. - /// - /// Parameters - /// ---------- - /// eos : Eos - /// The equation of state to use. - /// temperature : SINumber - /// Temperature. - /// - /// Returns - /// ------- - /// SIArray1 - #[staticmethod] - fn henrys_law_constant_binary( - eos: &PyEquationOfState, - temperature: Temperature, - ) -> PyResult { - Ok(State::henrys_law_constant_binary(&eos.0, temperature).map_err(PyFeosError::from)?) - } - - /// Return derivative of logarithmic fugacity coefficient w.r.t. temperature. - /// - /// Returns - /// ------- - /// SIArray1 - fn dln_phi_dt(&self) -> InvT> { - self.0.dln_phi_dt() - } - - /// Return derivative of logarithmic fugacity coefficient w.r.t. pressure. - /// - /// Returns - /// ------- - /// SIArray1 - fn dln_phi_dp(&self) -> InvP> { - self.0.dln_phi_dp() - } - - /// Return derivative of logarithmic fugacity coefficient w.r.t. amount of substance. - /// - /// Returns - /// ------- - /// SIArray2 - fn dln_phi_dnj(&self) -> InvM> { - self.0.dln_phi_dnj() - } - - /// Return thermodynamic factor. - /// - /// Returns - /// ------- - /// numpy.ndarray - fn thermodynamic_factor<'py>(&self, py: Python<'py>) -> Bound<'py, PyArray2> { - self.0.thermodynamic_factor().to_pyarray(py) - } - - /// Return molar isochoric heat capacity. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn molar_isochoric_heat_capacity(&self, contributions: PyContributions) -> MolarEntropy { - self.0.molar_isochoric_heat_capacity(contributions.into()) - } - - /// Return derivative of isochoric heat capacity w.r.t. temperature. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn dc_v_dt(&self, contributions: PyContributions) -> Quot { - self.0.dc_v_dt(contributions.into()) - } - - /// Return molar isobaric heat capacity. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn molar_isobaric_heat_capacity(&self, contributions: PyContributions) -> MolarEntropy { - self.0.molar_isobaric_heat_capacity(contributions.into()) - } - - /// Return entropy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn entropy(&self, contributions: PyContributions) -> Entropy { - self.0.entropy(contributions.into()) - } - - /// Return derivative of entropy with respect to temperature. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn ds_dt(&self, contributions: PyContributions) -> Quot { - self.0.ds_dt(contributions.into()) - } - - /// Return molar entropy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn molar_entropy(&self, contributions: PyContributions) -> MolarEntropy { - self.0.molar_entropy(contributions.into()) - } - - /// Return partial molar entropy of each component. - /// - /// Returns - /// ------- - /// SIArray1 - fn partial_molar_entropy(&self) -> MolarEntropy> { - self.0.partial_molar_entropy() - } - - /// Return enthalpy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn enthalpy(&self, contributions: PyContributions) -> Energy { - self.0.enthalpy(contributions.into()) - } - - /// Return molar enthalpy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn molar_enthalpy(&self, contributions: PyContributions) -> MolarEnergy { - self.0.molar_enthalpy(contributions.into()) - } - - /// Return partial molar enthalpy of each component. - /// - /// Returns - /// ------- - /// SIArray1 - fn partial_molar_enthalpy(&self) -> MolarEnergy> { - self.0.partial_molar_enthalpy() - } - - /// Return Helmholtz energy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn helmholtz_energy(&self, contributions: PyContributions) -> Energy { - self.0.helmholtz_energy(contributions.into()) - } - - /// Return molar Helmholtz energy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn molar_helmholtz_energy(&self, contributions: PyContributions) -> MolarEnergy { - self.0.molar_helmholtz_energy(contributions.into()) - } - - /// Return residual Helmholtz energy contributions. - /// - /// Returns - /// ------- - /// List[Tuple[str, SINumber]] - fn residual_molar_helmholtz_energy_contributions(&self) -> Vec<(&'static str, MolarEnergy)> { - self.0.residual_molar_helmholtz_energy_contributions() - } - - /// Return Gibbs energy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn gibbs_energy(&self, contributions: PyContributions) -> Energy { - self.0.gibbs_energy(contributions.into()) - } - - /// Return molar Gibbs energy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn molar_gibbs_energy(&self, contributions: PyContributions) -> MolarEnergy { - self.0.molar_gibbs_energy(contributions.into()) - } - - /// Return internal energy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn internal_energy(&self, contributions: PyContributions) -> Energy { - self.0.internal_energy(contributions.into()) - } - - /// Return molar internal energy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn molar_internal_energy(&self, contributions: PyContributions) -> MolarEnergy { - self.0.molar_internal_energy(contributions.into()) - } - - /// Return Joule Thomson coefficient. - /// - /// Returns - /// ------- - /// SINumber - fn joule_thomson(&self) -> Quot { - self.0.joule_thomson() - } - - /// Return isentropy compressibility coefficient. - /// - /// Returns - /// ------- - /// SINumber - fn isentropic_compressibility(&self) -> Quot { - self.0.isentropic_compressibility() - } - - /// Return isothermal compressibility coefficient. - /// - /// Returns - /// ------- - /// SINumber - fn isothermal_compressibility(&self) -> Quot { - self.0.isothermal_compressibility() - } - - /// Return isenthalpic compressibility coefficient. - /// - /// Returns - /// ------- - /// SINumber - fn isenthalpic_compressibility(&self) -> Quot { - self.0.isenthalpic_compressibility() - } - - /// Return thermal expansivity coefficient. - /// - /// Returns - /// ------- - /// SINumber - fn thermal_expansivity(&self) -> Quot { - self.0.thermal_expansivity() - } - - /// Return Grueneisen parameter. - /// - /// Returns - /// ------- - /// float - fn grueneisen_parameter(&self) -> f64 { - self.0.grueneisen_parameter() - } - - /// Return structure factor. - /// - /// Returns - /// ------- - /// float - fn structure_factor(&self) -> f64 { - self.0.structure_factor() - } - - /// Return total molar weight. - /// - /// Returns - /// ------- - /// SINumber - fn total_molar_weight(&self) -> MolarWeight { - self.0.total_molar_weight() - } - - /// Return speed of sound. - /// - /// Returns - /// ------- - /// SINumber - fn speed_of_sound(&self) -> Velocity { - self.0.speed_of_sound() - } - - /// Returns mass of each component in the system. - /// - /// Returns - /// ------- - /// SIArray1 - fn mass(&self) -> Mass> { - self.0.mass() - } - - /// Returns system's total mass. - /// - /// Returns - /// ------- - /// SINumber - fn total_mass(&self) -> Mass { - self.0.total_mass() - } - - /// Returns system's mass density. - /// - /// Returns - /// ------- - /// SINumber - fn mass_density(&self) -> MassDensity { - self.0.mass_density() - } - - /// Returns mass fractions for each component. - /// - /// Returns - /// ------- - /// numpy.ndarray[Float64] - fn massfracs<'py>(&self, py: Python<'py>) -> Bound<'py, PyArray1> { - PyArray1::from_slice(py, self.0.massfracs().as_slice()) - } - - /// Return mass specific Helmholtz energy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn specific_helmholtz_energy(&self, contributions: PyContributions) -> SpecificEnergy { - self.0.specific_helmholtz_energy(contributions.into()) - } - - /// Return mass specific entropy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn specific_entropy(&self, contributions: PyContributions) -> SpecificEntropy { - self.0.specific_entropy(contributions.into()) - } - - /// Return mass specific internal_energy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn specific_internal_energy(&self, contributions: PyContributions) -> SpecificEnergy { - self.0.specific_internal_energy(contributions.into()) - } - - /// Return mass specific gibbs_energy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn specific_gibbs_energy(&self, contributions: PyContributions) -> SpecificEnergy { - self.0.specific_gibbs_energy(contributions.into()) - } - - /// Return mass specific enthalpy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn specific_enthalpy(&self, contributions: PyContributions) -> SpecificEnergy { - self.0.specific_enthalpy(contributions.into()) - } - - /// Return mass specific isochoric heat capacity. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn specific_isochoric_heat_capacity(&self, contributions: PyContributions) -> SpecificEntropy { - self.0 - .specific_isochoric_heat_capacity(contributions.into()) - } - - /// Return mass specific isobaric heat capacity. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SINumber - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn specific_isobaric_heat_capacity(&self, contributions: PyContributions) -> SpecificEntropy { - self.0.specific_isobaric_heat_capacity(contributions.into()) - } - - /// Return viscosity via entropy scaling. - /// - /// Returns - /// ------- - /// SINumber - fn viscosity(&self) -> Viscosity { - self.0.viscosity() - } - - /// Return reference viscosity for entropy scaling. - /// - /// Returns - /// ------- - /// SINumber - fn viscosity_reference(&self) -> Viscosity { - self.0.viscosity_reference() - } - - /// Return logarithmic reduced viscosity. - /// - /// This equals the viscosity correlation function - /// as used by entropy scaling. - /// - /// Returns - /// ------- - /// float - fn ln_viscosity_reduced(&self) -> f64 { - self.0.ln_viscosity_reduced() - } - - /// Return diffusion coefficient via entropy scaling. - /// - /// Returns - /// ------- - /// SINumber - fn diffusion(&self) -> Diffusivity { - self.0.diffusion() - } - - /// Return reference diffusion for entropy scaling. - /// - /// Returns - /// ------- - /// SINumber - fn diffusion_reference(&self) -> Diffusivity { - self.0.diffusion_reference() - } - - /// Return logarithmic reduced diffusion. - /// - /// This equals the diffusion correlation function - /// as used by entropy scaling. - /// - /// Returns - /// ------- - /// float - fn ln_diffusion_reduced(&self) -> f64 { - self.0.ln_diffusion_reduced() - } - - /// Return thermal conductivity via entropy scaling. - /// - /// Returns - /// ------- - /// SINumber - fn thermal_conductivity(&self) -> ThermalConductivity { - self.0.thermal_conductivity() - } - - /// Return reference thermal conductivity for entropy scaling. - /// - /// Returns - /// ------- - /// SINumber - fn thermal_conductivity_reference(&self) -> ThermalConductivity { - self.0.thermal_conductivity_reference() - } - - /// Return logarithmic reduced thermal conductivity. - /// - /// This equals the thermal conductivity correlation function - /// as used by entropy scaling. - /// - /// Returns - /// ------- - /// float - fn ln_thermal_conductivity_reduced(&self) -> f64 { - self.0.ln_thermal_conductivity_reduced() - } - - #[getter] - fn get_total_moles(&self) -> Moles { - self.0.total_moles - } - - #[getter] - fn get_temperature(&self) -> Temperature { - self.0.temperature - } - - #[getter] - fn get_volume(&self) -> Volume { - self.0.volume - } - - #[getter] - fn get_density(&self) -> Density { - self.0.density - } - - #[getter] - fn get_moles(&self) -> Moles> { - self.0.moles.clone() - } - - #[getter] - fn get_partial_density(&self) -> Density> { - self.0.partial_density.clone() - } - - #[getter] - fn get_molefracs<'py>(&self, py: Python<'py>) -> Bound<'py, PyArray1> { - PyArray1::from_slice(py, self.0.molefracs.as_slice()) - } - - fn _repr_markdown_(&self) -> String { - if self.0.eos.deref().components() == 1 { - format!( - "|temperature|density|\n|-|-|\n|{:.5}|{:.5}|", - self.0.temperature, self.0.density - ) - } else { - format!( - "|temperature|density|molefracs\n|-|-|-|\n|{:.5}|{:.5}|{:.5?}|", - self.0.temperature, - self.0.density, - self.0.molefracs.as_slice() - ) - } - } - - fn __repr__(&self) -> PyResult { - Ok(self.0.to_string()) - } -} - -/// A list of states that provides convenient getters -/// for properties of all the individual states. -/// -/// Parameters -/// ---------- -/// states : [State] -/// A list of individual states. -/// -/// Returns -/// ------- -/// StateVec -#[pyclass(name = "StateVec")] -#[expect(clippy::type_complexity)] -pub struct PyStateVec(Vec, ResidualModel>>>>); - -impl From, ResidualModel>>>> for PyStateVec { - fn from(vec: StateVec, ResidualModel>>>) -> Self { - Self(vec.into_iter().cloned().collect()) - } -} - -impl<'a> From<&'a PyStateVec> - for StateVec<'a, Arc, ResidualModel>>> -{ - fn from(vec: &'a PyStateVec) -> Self { - Self(vec.0.iter().collect()) - } -} - -#[pymethods] -impl PyStateVec { - #[new] - fn new(states: Vec) -> Self { - Self(states.into_iter().map(|s| s.0).collect()) - } - - fn __len__(&self) -> PyResult { - Ok(self.0.len()) - } - - fn __getitem__(&self, idx: isize) -> PyResult { - let i = if idx < 0 { - self.0.len() as isize + idx - } else { - idx - }; - if (0..self.0.len()).contains(&(i as usize)) { - Ok(PyState(self.0[i as usize].clone())) - } else { - Err(PyIndexError::new_err( - "StateVec index out of range".to_string(), - )) - } - } - - /// Return molar entropy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SIArray1 - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn molar_entropy(&self, contributions: PyContributions) -> MolarEntropy> { - StateVec::from(self).molar_entropy(contributions.into()) - } - - /// Return mass specific entropy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SIArray1 - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn specific_entropy(&self, contributions: PyContributions) -> SpecificEntropy> { - StateVec::from(self).specific_entropy(contributions.into()) - } - - /// Return molar enthalpy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SIArray1 - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn molar_enthalpy(&self, contributions: PyContributions) -> MolarEnergy> { - StateVec::from(self).molar_enthalpy(contributions.into()) - } - - /// Return mass specific enthalpy. - /// - /// Parameters - /// ---------- - /// contributions: Contributions, optional - /// the contributions of the Helmholtz energy. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// SIArray1 - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - fn specific_enthalpy(&self, contributions: PyContributions) -> SpecificEnergy> { - StateVec::from(self).specific_enthalpy(contributions.into()) - } - - #[getter] - fn get_temperature(&self) -> Temperature> { - StateVec::from(self).temperature() - } - - #[getter] - fn get_pressure(&self) -> Pressure> { - StateVec::from(self).pressure() - } - - #[getter] - fn get_compressibility<'py>(&self, py: Python<'py>) -> Bound<'py, PyArray1> { - StateVec::from(self).compressibility().into_pyarray(py) - } - - #[getter] - fn get_density(&self) -> Density> { - StateVec::from(self).density() - } - - #[getter] - fn get_moles(&self) -> Moles> { - StateVec::from(self).moles() - } - - #[getter] - fn get_molefracs<'py>(&self, py: Python<'py>) -> Bound<'py, PyArray2> { - StateVec::from(self).molefracs().into_pyarray(py) - } - - #[getter] - fn get_mass_density(&self) -> Option>> { - self.0[0] - .eos - .residual - .has_molar_weight() - .then(|| StateVec::from(self).mass_density()) - } - - #[getter] - fn get_massfracs<'py>(&self, py: Python<'py>) -> Option>> { - self.0[0] - .eos - .residual - .has_molar_weight() - .then(|| StateVec::from(self).massfracs().into_pyarray(py)) - } - - /// Returns selected properties of a StateVec as dictionary. - /// - /// Parameters - /// ---------- - /// contributions : Contributions, optional - /// The contributions to consider when calculating properties. - /// Defaults to Contributions.Total. - /// - /// Returns - /// ------- - /// Dict[str, List[float]] - /// Keys: property names. Values: property for each state. - /// - /// Notes - /// ----- - /// - temperature : K - /// - pressure : Pa - /// - densities : mol / m³ - /// - mass densities : kg / m³ - /// - molar enthalpies : kJ / mol - /// - molar entropies : kJ / mol / K - /// - specific enthalpies : kJ / kg - /// - specific entropies : kJ / kg / K - /// - xi: molefraction of component i - /// - component index `i` matches to order of components in parameters. - #[pyo3(signature = (contributions=PyContributions::Total), text_signature = "($self, contributions)")] - pub fn to_dict(&self, contributions: PyContributions) -> HashMap> { - let states = StateVec::from(self); - let n = states.0[0].eos.deref().components(); - let mut dict = HashMap::with_capacity(8 + n); - if n != 1 { - let xs = states.molefracs(); - for i in 0..n { - dict.insert(format!("x{i}"), xs.column(i).to_vec()); - } - } - dict.insert( - String::from("temperature"), - states - .temperature() - .convert_to(KELVIN) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("pressure"), - states - .pressure() - .convert_to(PASCAL) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("density"), - states - .density() - .convert_to(MOL / METER.powi::()) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("molar enthalpy"), - states - .molar_enthalpy(contributions.into()) - .convert_to(KILO * JOULE / MOL) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("molar entropy"), - states - .molar_entropy(contributions.into()) - .convert_to(KILO * JOULE / KELVIN / MOL) - .into_raw_vec_and_offset() - .0, - ); - if states.0[0].eos.residual.has_molar_weight() { - dict.insert( - String::from("mass density"), - states - .mass_density() - .convert_to(KILOGRAM / METER.powi::()) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("specific enthalpy"), - states - .specific_enthalpy(contributions.into()) - .convert_to(KILO * JOULE / KILOGRAM) - .into_raw_vec_and_offset() - .0, - ); - dict.insert( - String::from("specific entropy"), - states - .specific_entropy(contributions.into()) - .convert_to(KILO * JOULE / KELVIN / KILOGRAM) - .into_raw_vec_and_offset() - .0, - ); - } - dict - } -} diff --git a/py-feos/src/user_defined.rs b/py-feos/src/user_defined.rs deleted file mode 100644 index 38bbe38ca..000000000 --- a/py-feos/src/user_defined.rs +++ /dev/null @@ -1,343 +0,0 @@ -#![allow(non_snake_case)] -use feos_core::{IdealGas, Molarweight, ResidualDyn, StateHD, Subset}; -use nalgebra::DVector; -use num_dual::*; -use numpy::{PyArray, PyReadonlyArrayDyn, PyReadwriteArrayDyn}; -use pyo3::exceptions::PyTypeError; -use pyo3::prelude::*; -use quantity::MolarWeight; -use std::any::Any; - -pub struct PyIdealGas(Py); - -impl PyIdealGas { - pub fn new(obj: Bound<'_, PyAny>) -> PyResult { - let attr = obj.hasattr("ln_lambda3")?; - if !attr { - panic!("{}", "Python Class has to have a method 'ln_lambda3' with signature:\n\tdef ln_lambda3(self, temperature: HD) -> HD\nwhere 'HD' has to be any (hyper-) dual number.") - } - Ok(Self(obj.unbind())) - } -} - -macro_rules! impl_ideal_gas { - ($($py_hd_id:ident, $hd_ty:ty);*) => { - impl IdealGas for PyIdealGas { - fn ideal_gas_model(&self) -> &'static str { - "Ideal gas (Python)" - } - - fn ln_lambda3 + Copy>(&self, temperature: D) -> D { - let mut result = D::zero(); - - $( - if let Some(&t) = (&temperature as &dyn Any).downcast_ref::<$hd_ty>() { - let l3_any = (&mut result as &mut dyn Any).downcast_mut::<$hd_ty>().unwrap(); - *l3_any = Python::attach(|py| { - let py_result = self - .0 - .bind(py) - .call_method1("ln_lambda3", (<$py_hd_id>::from(t),)) - .unwrap(); - <$hd_ty>::from(py_result.extract::<$py_hd_id>().unwrap()) - }); - return result - } - )* - panic!("ln_lambda3: input data type not understood") - } - } - }; -} - -/// Struct containing pointer to Python Class that implements Helmholtz energy. -pub struct PyResidual(Py); - -impl PyResidual { - pub fn new(obj: Bound<'_, PyAny>) -> PyResult { - let attr = obj.hasattr("components")?; - if !attr { - panic!("Python Class has to have a method 'components' with signature:\n\tdef signature(self) -> int") - } - let attr = obj.hasattr("subset")?; - if !attr { - panic!("Python Class has to have a method 'subset' with signature:\n\tdef subset(self, component_list: List[int]) -> Self") - } - let attr = obj.hasattr("molar_weight")?; - if !attr { - panic!("Python Class has to have a method 'molar_weight' with signature:\n\tdef molar_weight(self) -> SIArray1\nwhere the size of the returned array has to be 'components'.") - } - let attr = obj.hasattr("max_density")?; - if !attr { - panic!("Python Class has to have a method 'max_density' with signature:\n\tdef max_density(self, moles: numpy.ndarray[float]) -> float\nwhere the size of the input array has to be 'components'.") - } - let attr = obj.hasattr("helmholtz_energy")?; - if !attr { - panic!("{}", "Python Class has to have a method 'helmholtz_energy' with signature:\n\tdef helmholtz_energy(self, state: StateHD) -> HD\nwhere 'HD' has to be any of {{float, Dual64, HyperDual64, HyperDualDual64, Dual3Dual64, Dual3_64}}.") - } - Ok(Self(obj.unbind())) - } -} - -macro_rules! impl_residual { - ($($py_state_id:ident, $py_hd_id:ident, $hd_ty:ty);*) => { - impl ResidualDyn for PyResidual { - fn components(&self) -> usize { - Python::attach(|py| { - let py_result = self.0.bind(py).call_method0("components").unwrap(); - py_result.extract().unwrap() - }) - } - - fn compute_max_density + Copy>(&self, molefracs: &DVector) -> D { - let mut rho = D::zero(); - - $( - if let Some(x) = (molefracs as &dyn Any).downcast_ref::>() { - let r = (&mut rho as &mut dyn Any).downcast_mut::<$hd_ty>().unwrap(); - *r = Python::attach(|py| { - let py_result = self - .0 - .bind(py) - .call_method1("max_density", (x.iter().copied().map(<$py_hd_id>::from).collect::>(),)) - .unwrap(); - <$hd_ty>::from(py_result.extract::<$py_hd_id>().unwrap()) - }); - return rho - } - )* - panic!("compute_max_density: input data type not understood") - } - - fn reduced_helmholtz_energy_density_contributions + Copy + >( - &self, - state: &StateHD, - ) -> Vec<(&'static str, D)> { - // result to write to - let mut a = D::zero(); - - $( - if let Some(s) = (state as &dyn Any).downcast_ref::>() { - let d = (&mut a as &mut dyn Any).downcast_mut::<$hd_ty>().unwrap(); - *d = Python::attach(|py| { - let py_result = self - .0 - .bind(py) - .call_method1("helmholtz_energy", (<$py_state_id>::from(s.clone()),)) - .unwrap(); - <$hd_ty>::from(py_result.extract::<$py_hd_id>().unwrap()) - }); - return vec![("Python", a)] - } - )* - panic!("helmholtz_energy: input data type not understood") - } - } - - impl Molarweight for PyResidual { - fn molar_weight(&self) -> MolarWeight> { - Python::attach(|py| { - let py_result = self.0.bind(py).call_method0("molar_weight").unwrap(); - py_result - .extract::>>() - .unwrap() - }) - } - } - - impl Subset for PyResidual { - fn subset(&self, component_list: &[usize]) -> Self { - Python::attach(|py| { - let py_result = self - .0 - .bind(py) - .call_method1("subset", (component_list.to_vec(),)) - .unwrap(); - Self::new(py_result.extract().unwrap()).unwrap() - }) - } - } - } -} - -macro_rules! state { - ($py_state_id:ident, $py_hd_id:ident, $hd_ty:ty) => { - #[pyclass] - #[derive(Clone)] - struct $py_state_id(StateHD<$hd_ty>); - - impl From> for $py_state_id { - fn from(s: StateHD<$hd_ty>) -> Self { - Self(s) - } - } - - #[pymethods] - impl $py_state_id { - #[new] - pub fn new(temperature: $py_hd_id, volume: $py_hd_id, moles: Vec<$py_hd_id>) -> Self { - let moles = moles.into_iter().map(<$hd_ty>::from).collect(); - Self(StateHD::<$hd_ty>::new( - temperature.into(), - volume.into(), - &DVector::from_vec(moles), - )) - } - - #[getter] - pub fn get_temperature(&self) -> $py_hd_id { - <$py_hd_id>::from(self.0.temperature) - } - - #[getter] - pub fn get_partial_density(&self) -> Vec<$py_hd_id> { - self.0 - .partial_density - .iter() - .copied() - .map(<$py_hd_id>::from) - .collect() - } - - #[getter] - pub fn get_molefracs(&self) -> Vec<$py_hd_id> { - self.0 - .molefracs - .iter() - .copied() - .map(<$py_hd_id>::from) - .collect() - } - - #[getter] - pub fn get_density(&self) -> $py_hd_id { - <$py_hd_id>::from(self.0.partial_density.sum()) - } - } - }; -} - -macro_rules! dual_number { - ($py_hd_id:ident, $hd_ty:ty, $py_field_ty:ty) => { - #[pyclass] - #[derive(Clone)] - struct $py_hd_id($hd_ty); - impl_dual_num!($py_hd_id, $hd_ty, $py_field_ty); - }; -} - -macro_rules! impl_dual_state_helmholtz_energy { - ($py_state_id:ident, $py_hd_id:ident, $hd_ty:ty, $py_field_ty:ty) => { - dual_number!($py_hd_id, $hd_ty, $py_field_ty); - state!($py_state_id, $py_hd_id, $hd_ty); - }; -} - -// No definition of dual number necessary for f64 -state!(PyStateF, f64, f64); - -dual_number!(PyReal64, Real, f64); - -impl_dual_state_helmholtz_energy!(PyStateD, PyDual64, Dual64, f64); - -dual_number!(PyDualVec3, DualSVec64<3>, f64); -impl_dual_state_helmholtz_energy!( - PyStateDualDualVec3, - PyDualDualVec3, - Dual, f64>, - PyDualVec3 -); -impl_dual_state_helmholtz_energy!(PyStateHD, PyHyperDual64, HyperDual64, f64); -impl_dual_state_helmholtz_energy!(PyStateD2, PyDual2_64, Dual2_64, f64); -impl_dual_state_helmholtz_energy!(PyStateD3, PyDual3_64, Dual3_64, f64); -impl_dual_state_helmholtz_energy!(PyStateHDD, PyHyperDualDual64, HyperDual, PyDual64); -dual_number!(PyDualVec2, DualSVec64<2>, f64); -impl_dual_state_helmholtz_energy!( - PyStateHDDVec2, - PyHyperDualVec2, - HyperDual, f64>, - PyDualVec2 -); -impl_dual_state_helmholtz_energy!( - PyStateHDDVec3, - PyHyperDualVec3, - HyperDual, f64>, - PyDualVec3 -); -impl_dual_state_helmholtz_energy!( - PyStateD2D, - PyDual2Dual64, - Dual2, - PyDual64 -); -impl_dual_state_helmholtz_energy!( - PyStateD3D, - PyDual3Dual64, - Dual3, - PyDual64 -); -impl_dual_state_helmholtz_energy!( - PyStateD3DVec2, - PyDual3DualVec2, - Dual3, f64>, - PyDualVec2 -); -impl_dual_state_helmholtz_energy!( - PyStateD3DVec3, - PyDual3DualVec3, - Dual3, f64>, - PyDualVec3 -); - -impl_ideal_gas!( - PyReal64, Real; - PyDual64, Dual64; - PyDualDualVec3, - Dual, f64>; - PyHyperDual64, HyperDual64; - PyDual2_64, Dual2_64; - PyDual3_64, Dual3_64; - PyHyperDualDual64, HyperDual; - PyHyperDualVec2, - HyperDual, f64>; - PyHyperDualVec3, - HyperDual, f64>; - PyDual2Dual64, - Dual2; - PyDual3Dual64, - Dual3; - PyDual3DualVec2, - Dual3, f64>; - PyDual3DualVec3, - Dual3, f64> -); - -impl_residual!( - PyStateF, f64, f64; - PyStateD, PyDual64, Dual64; - PyStateDualDualVec3, - PyDualDualVec3, - Dual, f64>; - PyStateHD, PyHyperDual64, HyperDual64; - PyStateD2, PyDual2_64, Dual2_64; - PyStateD3, PyDual3_64, Dual3_64; - PyStateHDD, PyHyperDualDual64, HyperDual; - PyStateHDDVec2, - PyHyperDualVec2, - HyperDual, f64>; - PyStateHDDVec3, - PyHyperDualVec3, - HyperDual, f64>; - PyStateD2D, - PyDual2Dual64, - Dual2; - PyStateD3D, - PyDual3Dual64, - Dual3; - PyStateD3DVec2, - PyDual3DualVec2, - Dual3, f64>; - PyStateD3DVec3, - PyDual3DualVec3, - Dual3, f64> -); diff --git a/recipes/index.html b/recipes/index.html new file mode 100644 index 000000000..9f6a0198c --- /dev/null +++ b/recipes/index.html @@ -0,0 +1,745 @@ + + + + + + + + + Recipes - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +

+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Recipes

+

This section contains short code snippets for specific, commonly used tasks. +If you are looking for tutorials with explanations, see the tutorials.

+
+

Critical points and phase equilibria

+ +
+
+

DFT

+ +
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + \ No newline at end of file diff --git a/recipes/recipes_automatic_differentiation.html b/recipes/recipes_automatic_differentiation.html new file mode 100644 index 000000000..fd4e787ba --- /dev/null +++ b/recipes/recipes_automatic_differentiation.html @@ -0,0 +1,938 @@ + + + + + + + + + Phase equilibria including derivatives - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Phase equilibria including derivatives

+
+
[1]:
+
+
+
import feos
+import numpy as np
+
+
+
+
+

Vapor pressure

+
+
[2]:
+
+
+
n = 10_000_000
+fit_params = ["m", "sigma", "epsilon_k"]
+
+# order: m, sigma, epsilon_k, mu
+parameters = np.array([[1.5, 3.4, 230.0, 2.3]] * n)
+temperature = np.expand_dims(np.linspace(250.0, 400.0, n), 1)
+eos = feos.EquationOfStateAD.PcSaftNonAssoc
+%time feos.vapor_pressure_derivatives(eos, fit_params, parameters, temperature)
+
+
+
+
+
+
+
+
+CPU times: user 1min 39s, sys: 654 ms, total: 1min 40s
+Wall time: 2.3 s
+
+
+
+
[2]:
+
+
+
+
+(array([  99933.70173872,   99933.76369505,   99933.82565141, ...,
+        4841855.06247647, 4841856.28251754, 4841857.50255883],
+       shape=(10000000,)),
+ array([[-1.04684676e+05,  1.37290974e+05, -2.94409278e+03],
+        [-1.04684730e+05,  1.37291045e+05, -2.94409438e+03],
+        [-1.04684784e+05,  1.37291116e+05, -2.94409599e+03],
+        ...,
+        [-3.06545385e+06,  2.31346293e+06, -8.79512373e+04],
+        [-3.06545458e+06,  2.31346323e+06, -8.79512573e+04],
+        [-3.06545531e+06,  2.31346353e+06, -8.79512774e+04]],
+       shape=(10000000, 3)),
+ array([ True,  True,  True, ...,  True,  True,  True], shape=(10000000,)))
+
+
+
+
+

Liquid density

+
+
[3]:
+
+
+
n = 10_000_000
+fit_params = ["m", "sigma", "epsilon_k"]
+
+# order: m, sigma, epsilon_k, mu
+parameters = np.array([[1.5, 3.4, 230.0, 2.3]] * n)
+temperature = np.linspace(250.0, 400.0, n)
+pressure = np.array([1e5] * n)
+input = np.stack((temperature, pressure), axis=1)
+eos = feos.EquationOfStateAD.PcSaftNonAssoc
+%time feos.liquid_density_derivatives(eos, fit_params, parameters, input)
+
+
+
+
+
+
+
+
+CPU times: user 1min 24s, sys: 716 ms, total: 1min 25s
+Wall time: 2.1 s
+
+
+
+
[3]:
+
+
+
+
+(array([22.7191149 , 22.71911436, 22.71911382, ...,  0.03027266,
+         0.03027266,  0.03027266], shape=(10000000,)),
+ array([[-1.68941171e+01, -2.24206688e+01,  2.73083514e-02],
+        [-1.68941167e+01, -2.24206685e+01,  2.73083541e-02],
+        [-1.68941164e+01, -2.24206681e+01,  2.73083568e-02],
+        ...,
+        [ 9.49488124e-05,  9.60641306e-06,  7.80107221e-07],
+        [ 9.49487960e-05,  9.60641033e-06,  7.80107128e-07],
+        [ 9.49487795e-05,  9.60640761e-06,  7.80107035e-07]],
+       shape=(10000000, 3)),
+ array([ True,  True,  True, ...,  True,  True,  True], shape=(10000000,)))
+
+
+
+
+

Bubble points

+
+
[4]:
+
+
+
n = 1_000_000
+fit_params = ["k_ij"]
+parameters = np.array([[
+    # Substance 1: m, sigma, epsilon_k, mu
+    1.5, 3.4, 230.0, 2.3,
+    # Substance 2: m, sigma, epsilon_k, mu
+    2.3, 3.5, 245.0, 1.4,
+    # k_ij
+    0.01
+]] * n)
+temperature = np.linspace(200.0, 406.0, n)
+molefracs = np.array([0.5] * n)
+pressure = np.array([1e5] * n)
+input = np.stack((temperature, molefracs, pressure), axis=1)
+eos = feos.EquationOfStateAD.PcSaftNonAssoc
+%time feos.bubble_point_pressure_derivatives(eos, fit_params, parameters, input)
+
+
+
+
+
+
+
+
+CPU times: user 11min 21s, sys: 122 ms, total: 11min 21s
+Wall time: 11.3 s
+
+
+
+
[4]:
+
+
+
+
+(array([   5142.13808145,    5142.20830389,    5142.27852715, ...,
+        3828278.20909898, 3828290.44546341, 3828302.68185363],
+       shape=(1000000,)),
+ array([[   40721.23744125],
+        [   40721.73456205],
+        [   40722.23168782],
+        ...,
+        [10996502.56325178],
+        [10996528.1146768 ],
+        [10996553.66610128]], shape=(1000000, 1)),
+ array([ True,  True,  True, ...,  True,  True,  True], shape=(1000000,)))
+
+
+
+
+

Bubble points with cross-association

+
+
[5]:
+
+
+
n = 100_000
+fit_params = ["k_ij"]
+parameters = np.array([[
+    # Substance 1: m, sigma, epsilon_k, mu, kappa_ab, epsilon_k_ab, na, nb
+    1.5, 3.4, 230.0, 2.3, 0.01, 1200.0, 1.0, 2.0,
+    # Substance 2: m, sigma, epsilon_k, mu, kappa_ab, epsilon_k_ab, na, nb
+    2.3, 3.5, 245.0, 1.4, 0.005, 500.0, 1.0, 1.0,
+    # k_ij
+    0.01,
+]] * n)
+temperature = np.linspace(200.0, 388.0, n)
+molefracs = np.array([0.5] * n)
+pressure = np.array([1e5] * n)
+input = np.stack((temperature, molefracs, pressure), axis=1)
+eos = feos.EquationOfStateAD.PcSaftFull
+%time feos.bubble_point_pressure_derivatives(eos, fit_params, parameters, input)
+
+
+
+
+
+
+
+
+CPU times: user 3min 11s, sys: 15.9 ms, total: 3min 11s
+Wall time: 3.17 s
+
+
+
+
[5]:
+
+
+
+
+(array([7.34250975e+02, 7.34379943e+02, 7.34508930e+02, ...,
+        2.34916950e+06, 2.34925463e+06, 2.34933975e+06], shape=(100000,)),
+ array([[4.64318575e+03],
+        [4.64395838e+03],
+        [4.64473112e+03],
+        ...,
+        [7.29257342e+06],
+        [7.29279667e+06],
+        [7.29301993e+06]], shape=(100000, 1)),
+ array([ True,  True,  True, ...,  True,  True,  True], shape=(100000,)))
+
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/recipes/recipes_automatic_differentiation.ipynb b/recipes/recipes_automatic_differentiation.ipynb new file mode 100644 index 000000000..f30608925 --- /dev/null +++ b/recipes/recipes_automatic_differentiation.ipynb @@ -0,0 +1,278 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "9767dd5f", + "metadata": {}, + "source": [ + "# Phase equilibria including derivatives" + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "fb44d253", + "metadata": {}, + "outputs": [], + "source": [ + "import feos\n", + "import numpy as np" + ] + }, + { + "cell_type": "markdown", + "id": "a76652c9", + "metadata": {}, + "source": [ + "## Vapor pressure" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "ebabc49a", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "CPU times: user 1min 39s, sys: 654 ms, total: 1min 40s\n", + "Wall time: 2.3 s\n" + ] + }, + { + "data": { + "text/plain": [ + "(array([ 99933.70173872, 99933.76369505, 99933.82565141, ...,\n", + " 4841855.06247647, 4841856.28251754, 4841857.50255883],\n", + " shape=(10000000,)),\n", + " array([[-1.04684676e+05, 1.37290974e+05, -2.94409278e+03],\n", + " [-1.04684730e+05, 1.37291045e+05, -2.94409438e+03],\n", + " [-1.04684784e+05, 1.37291116e+05, -2.94409599e+03],\n", + " ...,\n", + " [-3.06545385e+06, 2.31346293e+06, -8.79512373e+04],\n", + " [-3.06545458e+06, 2.31346323e+06, -8.79512573e+04],\n", + " [-3.06545531e+06, 2.31346353e+06, -8.79512774e+04]],\n", + " shape=(10000000, 3)),\n", + " array([ True, True, True, ..., True, True, True], shape=(10000000,)))" + ] + }, + "execution_count": 2, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "n = 10_000_000\n", + "fit_params = [\"m\", \"sigma\", \"epsilon_k\"]\n", + "\n", + "# order: m, sigma, epsilon_k, mu\n", + "parameters = np.array([[1.5, 3.4, 230.0, 2.3]] * n)\n", + "temperature = np.expand_dims(np.linspace(250.0, 400.0, n), 1)\n", + "eos = feos.EquationOfStateAD.PcSaftNonAssoc\n", + "%time feos.vapor_pressure_derivatives(eos, fit_params, parameters, temperature)" + ] + }, + { + "cell_type": "markdown", + "id": "4cc06692", + "metadata": {}, + "source": [ + "## Liquid density" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "f86f8e3e", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "CPU times: user 1min 24s, sys: 716 ms, total: 1min 25s\n", + "Wall time: 2.1 s\n" + ] + }, + { + "data": { + "text/plain": [ + "(array([22.7191149 , 22.71911436, 22.71911382, ..., 0.03027266,\n", + " 0.03027266, 0.03027266], shape=(10000000,)),\n", + " array([[-1.68941171e+01, -2.24206688e+01, 2.73083514e-02],\n", + " [-1.68941167e+01, -2.24206685e+01, 2.73083541e-02],\n", + " [-1.68941164e+01, -2.24206681e+01, 2.73083568e-02],\n", + " ...,\n", + " [ 9.49488124e-05, 9.60641306e-06, 7.80107221e-07],\n", + " [ 9.49487960e-05, 9.60641033e-06, 7.80107128e-07],\n", + " [ 9.49487795e-05, 9.60640761e-06, 7.80107035e-07]],\n", + " shape=(10000000, 3)),\n", + " array([ True, True, True, ..., True, True, True], shape=(10000000,)))" + ] + }, + "execution_count": 3, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "n = 10_000_000\n", + "fit_params = [\"m\", \"sigma\", \"epsilon_k\"]\n", + "\n", + "# order: m, sigma, epsilon_k, mu\n", + "parameters = np.array([[1.5, 3.4, 230.0, 2.3]] * n)\n", + "temperature = np.linspace(250.0, 400.0, n)\n", + "pressure = np.array([1e5] * n)\n", + "input = np.stack((temperature, pressure), axis=1)\n", + "eos = feos.EquationOfStateAD.PcSaftNonAssoc\n", + "%time feos.liquid_density_derivatives(eos, fit_params, parameters, input)" + ] + }, + { + "cell_type": "markdown", + "id": "0705a58a", + "metadata": {}, + "source": [ + "## Bubble points" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "bb548624", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "CPU times: user 11min 21s, sys: 122 ms, total: 11min 21s\n", + "Wall time: 11.3 s\n" + ] + }, + { + "data": { + "text/plain": [ + "(array([ 5142.13808145, 5142.20830389, 5142.27852715, ...,\n", + " 3828278.20909898, 3828290.44546341, 3828302.68185363],\n", + " shape=(1000000,)),\n", + " array([[ 40721.23744125],\n", + " [ 40721.73456205],\n", + " [ 40722.23168782],\n", + " ...,\n", + " [10996502.56325178],\n", + " [10996528.1146768 ],\n", + " [10996553.66610128]], shape=(1000000, 1)),\n", + " array([ True, True, True, ..., True, True, True], shape=(1000000,)))" + ] + }, + "execution_count": 4, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "n = 1_000_000\n", + "fit_params = [\"k_ij\"]\n", + "parameters = np.array([[\n", + " # Substance 1: m, sigma, epsilon_k, mu\n", + " 1.5, 3.4, 230.0, 2.3, \n", + " # Substance 2: m, sigma, epsilon_k, mu\n", + " 2.3, 3.5, 245.0, 1.4, \n", + " # k_ij\n", + " 0.01 \n", + "]] * n)\n", + "temperature = np.linspace(200.0, 406.0, n)\n", + "molefracs = np.array([0.5] * n)\n", + "pressure = np.array([1e5] * n)\n", + "input = np.stack((temperature, molefracs, pressure), axis=1)\n", + "eos = feos.EquationOfStateAD.PcSaftNonAssoc\n", + "%time feos.bubble_point_pressure_derivatives(eos, fit_params, parameters, input)" + ] + }, + { + "cell_type": "markdown", + "id": "a88f4a9e", + "metadata": {}, + "source": [ + "## Bubble points with cross-association" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "id": "ca842395", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "CPU times: user 3min 11s, sys: 15.9 ms, total: 3min 11s\n", + "Wall time: 3.17 s\n" + ] + }, + { + "data": { + "text/plain": [ + "(array([7.34250975e+02, 7.34379943e+02, 7.34508930e+02, ...,\n", + " 2.34916950e+06, 2.34925463e+06, 2.34933975e+06], shape=(100000,)),\n", + " array([[4.64318575e+03],\n", + " [4.64395838e+03],\n", + " [4.64473112e+03],\n", + " ...,\n", + " [7.29257342e+06],\n", + " [7.29279667e+06],\n", + " [7.29301993e+06]], shape=(100000, 1)),\n", + " array([ True, True, True, ..., True, True, True], shape=(100000,)))" + ] + }, + "execution_count": 5, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "n = 100_000\n", + "fit_params = [\"k_ij\"]\n", + "parameters = np.array([[\n", + " # Substance 1: m, sigma, epsilon_k, mu, kappa_ab, epsilon_k_ab, na, nb\n", + " 1.5, 3.4, 230.0, 2.3, 0.01, 1200.0, 1.0, 2.0, \n", + " # Substance 2: m, sigma, epsilon_k, mu, kappa_ab, epsilon_k_ab, na, nb\n", + " 2.3, 3.5, 245.0, 1.4, 0.005, 500.0, 1.0, 1.0,\n", + " # k_ij\n", + " 0.01,\n", + "]] * n)\n", + "temperature = np.linspace(200.0, 388.0, n)\n", + "molefracs = np.array([0.5] * n)\n", + "pressure = np.array([1e5] * n)\n", + "input = np.stack((temperature, molefracs, pressure), axis=1)\n", + "eos = feos.EquationOfStateAD.PcSaftFull\n", + "%time feos.bubble_point_pressure_derivatives(eos, fit_params, parameters, input)" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "feos", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.13.5" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/recipes/recipes_contact_angle.html b/recipes/recipes_contact_angle.html new file mode 100644 index 000000000..06c623ae5 --- /dev/null +++ b/recipes/recipes_contact_angle.html @@ -0,0 +1,755 @@ + + + + + + + + + Calculation of contact angles with cDFT - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Calculation of contact angles with cDFT

+
+
[1]:
+
+
+
import feos
+import si_units as si
+import numpy as np
+
+# set up fluid model
+parameters = feos.Parameters.from_json(["methanol"], "../../parameters/pcsaft/esper2023.json")
+functional = feos.HelmholtzEnergyFunctional.pcsaft(parameters)
+
+# set up surface
+ext_pot = feos.ExternalPotential.LJ93(sigma_ss=3.0, epsilon_k_ss=120.0, rho_s=0.08)
+pore = feos.Pore1D(feos.Geometry.Cartesian, 50*si.ANGSTROM, ext_pot)
+
+
+
+
+
[2]:
+
+
+
# calculate the density profiles of the vapor and the liquid states
+vle = feos.PhaseEquilibrium.pure(functional, 350 * si.KELVIN)
+vapor_profile = pore.initialize(vle.vapor).solve()
+liquid_profile = pore.initialize(vle.liquid).solve()
+
+# calculate the solid/fluid interfacial tensions
+gamma_sl = liquid_profile.interfacial_tension / si.ANGSTROM**2
+gamma_sv = vapor_profile.interfacial_tension / si.ANGSTROM**2
+
+# calculate the vapor/liquid interfacial tension
+vle_profile = feos.PlanarInterface.from_pdgt(vle, 2048).solve()
+gamma_vl = vle_profile.surface_tension
+
+# calculate the contact angle from Young's equation
+np.acos((gamma_sv-gamma_sl)/gamma_vl)*si.RADIANS
+
+
+
+
+
[2]:
+
+
+
+
+
+$31.99°$
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/recipes/recipes_contact_angle.ipynb b/recipes/recipes_contact_angle.ipynb new file mode 100644 index 000000000..92d8a9f63 --- /dev/null +++ b/recipes/recipes_contact_angle.ipynb @@ -0,0 +1,91 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "a22a5252", + "metadata": {}, + "source": [ + "# Calculation of contact angles with cDFT" + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "7fcfe24b", + "metadata": {}, + "outputs": [], + "source": [ + "import feos\n", + "import si_units as si\n", + "import numpy as np\n", + "\n", + "# set up fluid model\n", + "parameters = feos.Parameters.from_json([\"methanol\"], \"../../parameters/pcsaft/esper2023.json\")\n", + "functional = feos.HelmholtzEnergyFunctional.pcsaft(parameters)\n", + "\n", + "# set up surface\n", + "ext_pot = feos.ExternalPotential.LJ93(sigma_ss=3.0, epsilon_k_ss=120.0, rho_s=0.08)\n", + "pore = feos.Pore1D(feos.Geometry.Cartesian, 50*si.ANGSTROM, ext_pot)" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "70ee72e5", + "metadata": {}, + "outputs": [ + { + "data": { + "text/latex": [ + "$31.99°$" + ], + "text/plain": [ + "31.990466526671963°" + ] + }, + "execution_count": 2, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# calculate the density profiles of the vapor and the liquid states\n", + "vle = feos.PhaseEquilibrium.pure(functional, 350 * si.KELVIN)\n", + "vapor_profile = pore.initialize(vle.vapor).solve()\n", + "liquid_profile = pore.initialize(vle.liquid).solve()\n", + "\n", + "# calculate the solid/fluid interfacial tensions\n", + "gamma_sl = liquid_profile.interfacial_tension / si.ANGSTROM**2\n", + "gamma_sv = vapor_profile.interfacial_tension / si.ANGSTROM**2\n", + "\n", + "# calculate the vapor/liquid interfacial tension\n", + "vle_profile = feos.PlanarInterface.from_pdgt(vle, 2048).solve()\n", + "gamma_vl = vle_profile.surface_tension\n", + "\n", + "# calculate the contact angle from Young's equation\n", + "np.acos((gamma_sv-gamma_sl)/gamma_vl)*si.RADIANS" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "feos", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.14.0" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/recipes/recipes_critical_point_pure.html b/recipes/recipes_critical_point_pure.html new file mode 100644 index 000000000..9a67d5373 --- /dev/null +++ b/recipes/recipes_critical_point_pure.html @@ -0,0 +1,749 @@ + + + + + + + + + Critical point of a pure substance - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Critical point of a pure substance

+
+
[1]:
+
+
+
import feos
+
+parameters = feos.Parameters.from_json(
+    substances=['methanol'],
+    pure_path='../../parameters/pcsaft/gross2002.json'
+)
+eos = feos.EquationOfState.pcsaft(parameters)
+
+
+
+
+
[2]:
+
+
+
critical_point = feos.State.critical_point(eos)
+critical_point
+
+
+
+
+
[2]:
+
+
+
+
+ + + + + + + + + + + +

temperature

density

531.52541 K

8.11475 kmol/m³

+
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/recipes/recipes_critical_point_pure.ipynb b/recipes/recipes_critical_point_pure.ipynb new file mode 100644 index 000000000..d6cd26b4d --- /dev/null +++ b/recipes/recipes_critical_point_pure.ipynb @@ -0,0 +1,76 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "2f323a90-1e4f-4a27-a495-38dbf8dad3e3", + "metadata": {}, + "source": [ + "# Critical point of a pure substance " + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "06f40029-24e4-4f91-b502-6b9265818ed8", + "metadata": {}, + "outputs": [], + "source": [ + "import feos\n", + "\n", + "parameters = feos.Parameters.from_json(\n", + " substances=['methanol'], \n", + " pure_path='../../parameters/pcsaft/gross2002.json'\n", + ")\n", + "eos = feos.EquationOfState.pcsaft(parameters)" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "38b998ad-4fd0-4a1e-8fa3-991a13fc0860", + "metadata": {}, + "outputs": [ + { + "data": { + "text/markdown": [ + "|temperature|density|\n", + "|-|-|\n", + "|531.52541 K|8.11475 kmol/m³|" + ], + "text/plain": [ + "T = 531.52541 K, ρ = 8.11475 kmol/m³" + ] + }, + "execution_count": 2, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "critical_point = feos.State.critical_point(eos)\n", + "critical_point" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "feos", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.13.5" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/recipes/recipes_p_sat_t_boil.html b/recipes/recipes_p_sat_t_boil.html new file mode 100644 index 000000000..53212bb4a --- /dev/null +++ b/recipes/recipes_p_sat_t_boil.html @@ -0,0 +1,758 @@ + + + + + + + + + Vapor pressure and boiling temperature of a pure substance - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Vapor pressure and boiling temperature of a pure substance

+
+
[1]:
+
+
+
import si_units as si
+import feos
+
+parameters = feos.Parameters.from_json(
+    substances=['methanol'],
+    pure_path='../../parameters/pcsaft/gross2002.json'
+)
+eos = feos.EquationOfState.pcsaft(parameters)
+
+
+
+
+
[2]:
+
+
+
# returns pure substance vapor pressures
+vapor_pressure = feos.PhaseEquilibrium.vapor_pressure(eos, 350 * si.KELVIN)
+vapor_pressure
+
+
+
+
+
[2]:
+
+
+
+
+[156.972757835309 kPa]
+
+
+
+
[3]:
+
+
+
# returns pure substance boiling temperatures
+boiling_temperature = feos.PhaseEquilibrium.boiling_temperature(eos, 15 * si.BAR)
+boiling_temperature
+
+
+
+
+
[3]:
+
+
+
+
+[426.13707189627803 K]
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/recipes/recipes_p_sat_t_boil.ipynb b/recipes/recipes_p_sat_t_boil.ipynb new file mode 100644 index 000000000..0a5aabd0f --- /dev/null +++ b/recipes/recipes_p_sat_t_boil.ipynb @@ -0,0 +1,96 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "2f323a90-1e4f-4a27-a495-38dbf8dad3e3", + "metadata": {}, + "source": [ + "# Vapor pressure and boiling temperature of a pure substance " + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "06f40029-24e4-4f91-b502-6b9265818ed8", + "metadata": {}, + "outputs": [], + "source": [ + "import si_units as si\n", + "import feos\n", + "\n", + "parameters = feos.Parameters.from_json(\n", + " substances=['methanol'], \n", + " pure_path='../../parameters/pcsaft/gross2002.json'\n", + ")\n", + "eos = feos.EquationOfState.pcsaft(parameters)" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "38b998ad-4fd0-4a1e-8fa3-991a13fc0860", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[156.972757835309 kPa]" + ] + }, + "execution_count": 2, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# returns pure substance vapor pressures\n", + "vapor_pressure = feos.PhaseEquilibrium.vapor_pressure(eos, 350 * si.KELVIN)\n", + "vapor_pressure" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "7e22455b-7f69-4745-9d92-8e991f45ba81", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[426.13707189627803 K]" + ] + }, + "execution_count": 3, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "# returns pure substance boiling temperatures\n", + "boiling_temperature = feos.PhaseEquilibrium.boiling_temperature(eos, 15 * si.BAR)\n", + "boiling_temperature" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "feos", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.13.5" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/recipes/recipes_phase_diagram_pure.html b/recipes/recipes_phase_diagram_pure.html new file mode 100644 index 000000000..67aba516c --- /dev/null +++ b/recipes/recipes_phase_diagram_pure.html @@ -0,0 +1,789 @@ + + + + + + + + + Phase diagram of a pure substance - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Phase diagram of a pure substance

+
+
[1]:
+
+
+
import feos
+import si_units as si
+import matplotlib.pyplot as plt
+import seaborn as sns
+import pandas as pd
+
+sns.set_context('talk')
+sns.set_palette('Dark2')
+sns.set_style('ticks')
+colors = sns.palettes.color_palette('Dark2', 1)
+
+
+
+
+
[2]:
+
+
+
parameters = feos.Parameters.from_json(
+    substances=['methanol'],
+    pure_path='../../parameters/pcsaft/gross2002.json'
+)
+eos = feos.EquationOfState.pcsaft(parameters)
+phase_diagram = feos.PhaseDiagram.pure(eos, 150.0 * si.KELVIN, 201)
+
+
+
+
+
[3]:
+
+
+
fig, ax = plt.subplots(1, 2, figsize=(15, 6))
+ax[0].set_title(
+    "saturation pressure of {}".format(
+        parameters.pure_records[0].identifier.name
+    )
+)
+sns.lineplot(
+    y=phase_diagram.vapor.pressure / si.PASCAL,
+    x=1.0/phase_diagram.vapor.temperature * si.KELVIN,
+    ax=ax[0]
+)
+ax[0].set_yscale('log')
+ax[0].set_xlabel(r'$\frac{1}{T}$ / K$^{-1}$')
+ax[0].set_ylabel(r'$p$ / Pa')
+#ax[0].set_xlim()
+#ax[0].set_ylim()
+
+ax[1].set_title(
+    r"$T$-$\rho$-diagram of {}".format(
+        parameters.pure_records[0].identifier.name
+    )
+)
+sns.lineplot(
+    y=phase_diagram.vapor.temperature / si.KELVIN,
+    x=phase_diagram.vapor.mass_density / si.KILOGRAM * si.METER**3,
+    ax=ax[1],
+    color=colors[0]
+)
+sns.lineplot(
+    y=phase_diagram.liquid.temperature / si.KELVIN,
+    x=phase_diagram.liquid.mass_density / si.KILOGRAM * si.METER**3,
+    ax=ax[1],
+    color=colors[0]
+)
+ax[1].set_ylabel(r'$T$ / K')
+ax[1].set_xlabel(r'$\rho$ / kg m$^{-3}$')
+#ax[1].set_ylim()
+#ax[1].set_xlim()
+
+sns.despine(offset=10)
+
+
+
+
+
+
+
+../_images/recipes_recipes_phase_diagram_pure_3_0.png +
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/recipes/recipes_phase_diagram_pure.ipynb b/recipes/recipes_phase_diagram_pure.ipynb new file mode 100644 index 000000000..d234f41c0 --- /dev/null +++ b/recipes/recipes_phase_diagram_pure.ipynb @@ -0,0 +1,127 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "4c4ed7f1-9e71-4d8c-bc51-9b972bf5a8cc", + "metadata": {}, + "source": [ + "# Phase diagram of a pure substance" + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "b6b2b5bb-4c0c-49c9-bea2-1d34055a57dd", + "metadata": {}, + "outputs": [], + "source": [ + "import feos\n", + "import si_units as si\n", + "import matplotlib.pyplot as plt\n", + "import seaborn as sns\n", + "import pandas as pd\n", + "\n", + "sns.set_context('talk')\n", + "sns.set_palette('Dark2')\n", + "sns.set_style('ticks')\n", + "colors = sns.palettes.color_palette('Dark2', 1)" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "a19bbe80-cc85-4911-a169-d9501c962983", + "metadata": {}, + "outputs": [], + "source": [ + "parameters = feos.Parameters.from_json(\n", + " substances=['methanol'], \n", + " pure_path='../../parameters/pcsaft/gross2002.json'\n", + ")\n", + "eos = feos.EquationOfState.pcsaft(parameters)\n", + "phase_diagram = feos.PhaseDiagram.pure(eos, 150.0 * si.KELVIN, 201)" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "588d342b-720f-4f59-9046-e468c31608fa", + "metadata": {}, + "outputs": [ + { + "data": { + "image/png": "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", + "text/plain": [ + "
" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "fig, ax = plt.subplots(1, 2, figsize=(15, 6))\n", + "ax[0].set_title(\n", + " \"saturation pressure of {}\".format(\n", + " parameters.pure_records[0].identifier.name\n", + " )\n", + ")\n", + "sns.lineplot(\n", + " y=phase_diagram.vapor.pressure / si.PASCAL, \n", + " x=1.0/phase_diagram.vapor.temperature * si.KELVIN, \n", + " ax=ax[0]\n", + ")\n", + "ax[0].set_yscale('log')\n", + "ax[0].set_xlabel(r'$\\frac{1}{T}$ / K$^{-1}$')\n", + "ax[0].set_ylabel(r'$p$ / Pa')\n", + "#ax[0].set_xlim()\n", + "#ax[0].set_ylim()\n", + "\n", + "ax[1].set_title(\n", + " r\"$T$-$\\rho$-diagram of {}\".format(\n", + " parameters.pure_records[0].identifier.name\n", + " )\n", + ")\n", + "sns.lineplot(\n", + " y=phase_diagram.vapor.temperature / si.KELVIN, \n", + " x=phase_diagram.vapor.mass_density / si.KILOGRAM * si.METER**3, \n", + " ax=ax[1], \n", + " color=colors[0]\n", + ")\n", + "sns.lineplot(\n", + " y=phase_diagram.liquid.temperature / si.KELVIN, \n", + " x=phase_diagram.liquid.mass_density / si.KILOGRAM * si.METER**3, \n", + " ax=ax[1], \n", + " color=colors[0]\n", + ")\n", + "ax[1].set_ylabel(r'$T$ / K')\n", + "ax[1].set_xlabel(r'$\\rho$ / kg m$^{-3}$')\n", + "#ax[1].set_ylim()\n", + "#ax[1].set_xlim()\n", + "\n", + "sns.despine(offset=10)" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "feos", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.13.5" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/recipes/recipes_phase_equilibrium_pure.html b/recipes/recipes_phase_equilibrium_pure.html new file mode 100644 index 000000000..cd422e297 --- /dev/null +++ b/recipes/recipes_phase_equilibrium_pure.html @@ -0,0 +1,792 @@ + + + + + + + + + Phase equilibrium of a pure substance - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Phase equilibrium of a pure substance

+
+
[1]:
+
+
+
import si_units as si
+import feos
+
+parameters = feos.Parameters.from_json(
+    substances=['methanol'],
+    pure_path='../../parameters/pcsaft/gross2002.json'
+)
+eos = feos.EquationOfState.pcsaft(parameters)
+
+
+
+
+
[2]:
+
+
+
vle_t = feos.PhaseEquilibrium.pure(eos, 350 * si.KELVIN)
+vle_t
+
+
+
+
+
[2]:
+
+
+
+
+ + + + + + + + + + + + + + + + + +

temperature

density

phase 1

350.00000 K

62.68366 mol/m³

phase 2

350.00000 K

23.13883 kmol/m³

+
+
+
+
+
[3]:
+
+
+
vle_p = feos.PhaseEquilibrium.pure(eos, 15 * si.BAR)
+vle_p
+
+
+
+
+
[3]:
+
+
+
+
+ + + + + + + + + + + + + + + + + +

temperature

density

phase 1

426.13707 K

575.28700 mol/m³

phase 2

426.13707 K

20.09406 kmol/m³

+
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/recipes/recipes_phase_equilibrium_pure.ipynb b/recipes/recipes_phase_equilibrium_pure.ipynb new file mode 100644 index 000000000..115c8a7a3 --- /dev/null +++ b/recipes/recipes_phase_equilibrium_pure.ipynb @@ -0,0 +1,108 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "2f323a90-1e4f-4a27-a495-38dbf8dad3e3", + "metadata": {}, + "source": [ + "# Phase equilibrium of a pure substance " + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "06f40029-24e4-4f91-b502-6b9265818ed8", + "metadata": {}, + "outputs": [], + "source": [ + "import si_units as si\n", + "import feos\n", + "\n", + "parameters = feos.Parameters.from_json(\n", + " substances=['methanol'], \n", + " pure_path='../../parameters/pcsaft/gross2002.json'\n", + ")\n", + "eos = feos.EquationOfState.pcsaft(parameters)" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "38b998ad-4fd0-4a1e-8fa3-991a13fc0860", + "metadata": {}, + "outputs": [ + { + "data": { + "text/markdown": [ + "||temperature|density|\n", + "|-|-|-|\n", + "|phase 1|350.00000 K|62.68366 mol/m³|\n", + "|phase 2|350.00000 K|23.13883 kmol/m³|\n" + ], + "text/plain": [ + "phase 0: T = 350.00000 K, ρ = 62.68366 mol/m³\n", + "phase 1: T = 350.00000 K, ρ = 23.13883 kmol/m³" + ] + }, + "execution_count": 2, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "vle_t = feos.PhaseEquilibrium.pure(eos, 350 * si.KELVIN)\n", + "vle_t" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "7e22455b-7f69-4745-9d92-8e991f45ba81", + "metadata": {}, + "outputs": [ + { + "data": { + "text/markdown": [ + "||temperature|density|\n", + "|-|-|-|\n", + "|phase 1|426.13707 K|575.28700 mol/m³|\n", + "|phase 2|426.13707 K|20.09406 kmol/m³|\n" + ], + "text/plain": [ + "phase 0: T = 426.13707 K, ρ = 575.28700 mol/m³\n", + "phase 1: T = 426.13707 K, ρ = 20.09406 kmol/m³" + ] + }, + "execution_count": 3, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "vle_p = feos.PhaseEquilibrium.pure(eos, 15 * si.BAR)\n", + "vle_p" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "feos", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.13.5" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/recipes/recipes_surface_tension_diagram_pure.html b/recipes/recipes_surface_tension_diagram_pure.html new file mode 100644 index 000000000..2e2b44430 --- /dev/null +++ b/recipes/recipes_surface_tension_diagram_pure.html @@ -0,0 +1,781 @@ + + + + + + + + + Surface tension diagram of a pure substance - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Surface tension diagram of a pure substance

+
+
[1]:
+
+
+
import feos
+import si_units as si
+import matplotlib.pyplot as plt
+import seaborn as sns
+import pandas as pd
+
+sns.set_context('talk')
+sns.set_palette('Dark2')
+sns.set_style('ticks')
+colors = sns.palettes.color_palette('Dark2', 1)
+
+
+
+
+
[2]:
+
+
+
parameters = feos.Parameters.from_json(
+    substances=['methanol'],
+    pure_path='../../parameters/pcsaft/gross2002.json'
+)
+functional = feos.HelmholtzEnergyFunctional.pcsaft(parameters)
+
+
+
+
+
[3]:
+
+
+
phase_diagram = feos.PhaseDiagram.pure(functional, 150 * si.KELVIN, 25)
+
+
+
+
+
[4]:
+
+
+
st_diagram = feos.SurfaceTensionDiagram(
+    phase_diagram.states,
+    n_grid=1024
+)
+
+
+
+
+
[5]:
+
+
+
sns.lineplot(
+    y=st_diagram.surface_tension / (si.MILLI * si.NEWTON / si.METER),
+    x=st_diagram.liquid.temperature / si.KELVIN
+)
+sns.scatterplot(
+    y=st_diagram.surface_tension / (si.MILLI * si.NEWTON / si.METER),
+    x=st_diagram.liquid.temperature / si.KELVIN,
+    clip_on=False
+)
+sns.despine(offset=10)
+plt.xlim(100, 600)
+plt.ylim(0, 50)
+plt.xlabel(r'$T$ / K')
+plt.ylabel(r'$\gamma$ / mN m$^{-1}$');
+
+
+
+
+
+
+
+../_images/recipes_recipes_surface_tension_diagram_pure_5_0.png +
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/recipes/recipes_surface_tension_diagram_pure.ipynb b/recipes/recipes_surface_tension_diagram_pure.ipynb new file mode 100644 index 000000000..f06e06406 --- /dev/null +++ b/recipes/recipes_surface_tension_diagram_pure.ipynb @@ -0,0 +1,123 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "2f323a90-1e4f-4a27-a495-38dbf8dad3e3", + "metadata": {}, + "source": [ + "# Surface tension diagram of a pure substance" + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "ef5e5353-7984-4a37-8035-20809c876817", + "metadata": {}, + "outputs": [], + "source": [ + "import feos\n", + "import si_units as si\n", + "import matplotlib.pyplot as plt\n", + "import seaborn as sns\n", + "import pandas as pd\n", + "\n", + "sns.set_context('talk')\n", + "sns.set_palette('Dark2')\n", + "sns.set_style('ticks')\n", + "colors = sns.palettes.color_palette('Dark2', 1)" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "4fb0714a-7ae2-46bc-833a-0136ac3f7cd9", + "metadata": {}, + "outputs": [], + "source": [ + "parameters = feos.Parameters.from_json(\n", + " substances=['methanol'], \n", + " pure_path='../../parameters/pcsaft/gross2002.json'\n", + ")\n", + "functional = feos.HelmholtzEnergyFunctional.pcsaft(parameters)" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "38b998ad-4fd0-4a1e-8fa3-991a13fc0860", + "metadata": {}, + "outputs": [], + "source": [ + "phase_diagram = feos.PhaseDiagram.pure(functional, 150 * si.KELVIN, 25)" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "a48aff0e-cdb8-4553-96ff-57328272c184", + "metadata": {}, + "outputs": [], + "source": [ + "st_diagram = feos.SurfaceTensionDiagram(\n", + " phase_diagram.states,\n", + " n_grid=1024\n", + ")" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "id": "1bb266d3-8dbf-4bbf-833d-42bfee960fe8", + "metadata": {}, + "outputs": [ + { + "data": { + "image/png": "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", + "text/plain": [ + "
" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "sns.lineplot(\n", + " y=st_diagram.surface_tension / (si.MILLI * si.NEWTON / si.METER),\n", + " x=st_diagram.liquid.temperature / si.KELVIN\n", + ")\n", + "sns.scatterplot(\n", + " y=st_diagram.surface_tension / (si.MILLI * si.NEWTON / si.METER),\n", + " x=st_diagram.liquid.temperature / si.KELVIN,\n", + " clip_on=False\n", + ")\n", + "sns.despine(offset=10)\n", + "plt.xlim(100, 600)\n", + "plt.ylim(0, 50)\n", + "plt.xlabel(r'$T$ / K')\n", + "plt.ylabel(r'$\\gamma$ / mN m$^{-1}$');" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "feos", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.13.5" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/recipes/recipes_surface_tension_pure.html b/recipes/recipes_surface_tension_pure.html new file mode 100644 index 000000000..e5af1be64 --- /dev/null +++ b/recipes/recipes_surface_tension_pure.html @@ -0,0 +1,801 @@ + + + + + + + + + Surface tension of a pure substance - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Surface tension of a pure substance

+
+
[1]:
+
+
+
import si_units as si
+import feos
+
+parameters = feos.Parameters.from_json(
+    substances=['methanol'],
+    pure_path='../../parameters/pcsaft/gross2002.json'
+)
+functional = feos.HelmholtzEnergyFunctional.pcsaft(parameters)
+
+
+
+
+
[2]:
+
+
+
vle = feos.PhaseEquilibrium.pure(functional, 350 * si.KELVIN)
+vle
+
+
+
+
+
[2]:
+
+
+
+
+ + + + + + + + + + + + + + + + + +

temperature

density

phase 1

350.00000 K

62.68366 mol/m³

phase 2

350.00000 K

23.13883 kmol/m³

+
+
+
+
+
[3]:
+
+
+
surface_tension_pdgt = (feos.PlanarInterface
+    .from_pdgt(vle, 1024)
+    .solve()
+    .surface_tension)
+surface_tension_pdgt
+
+
+
+
+
[3]:
+
+
+
+
+
+$20.191\,\mathrm{\frac{mN}{m}}$
+
+
+
+
[4]:
+
+
+
surface_tension_tanh = (feos.PlanarInterface
+    .from_tanh(vle, 1024, 100 * si.ANGSTROM, 500 * si.KELVIN)
+    .solve()
+    .surface_tension
+)
+surface_tension_tanh
+
+
+
+
+
[4]:
+
+
+
+
+
+$20.191\,\mathrm{\frac{mN}{m}}$
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/recipes/recipes_surface_tension_pure.ipynb b/recipes/recipes_surface_tension_pure.ipynb new file mode 100644 index 000000000..1c90a4f3a --- /dev/null +++ b/recipes/recipes_surface_tension_pure.ipynb @@ -0,0 +1,136 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "2f323a90-1e4f-4a27-a495-38dbf8dad3e3", + "metadata": {}, + "source": [ + "# Surface tension of a pure substance " + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "06f40029-24e4-4f91-b502-6b9265818ed8", + "metadata": {}, + "outputs": [], + "source": [ + "import si_units as si\n", + "import feos\n", + "\n", + "parameters = feos.Parameters.from_json(\n", + " substances=['methanol'], \n", + " pure_path='../../parameters/pcsaft/gross2002.json'\n", + ")\n", + "functional = feos.HelmholtzEnergyFunctional.pcsaft(parameters)" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "38b998ad-4fd0-4a1e-8fa3-991a13fc0860", + "metadata": {}, + "outputs": [ + { + "data": { + "text/markdown": [ + "||temperature|density|\n", + "|-|-|-|\n", + "|phase 1|350.00000 K|62.68366 mol/m³|\n", + "|phase 2|350.00000 K|23.13883 kmol/m³|\n" + ], + "text/plain": [ + "phase 0: T = 350.00000 K, ρ = 62.68366 mol/m³\n", + "phase 1: T = 350.00000 K, ρ = 23.13883 kmol/m³" + ] + }, + "execution_count": 2, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "vle = feos.PhaseEquilibrium.pure(functional, 350 * si.KELVIN)\n", + "vle" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "a48aff0e-cdb8-4553-96ff-57328272c184", + "metadata": {}, + "outputs": [ + { + "data": { + "text/latex": [ + "$20.191\\,\\mathrm{\\frac{mN}{m}}$" + ], + "text/plain": [ + "20.190692939005643 mN/m" + ] + }, + "execution_count": 3, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "surface_tension_pdgt = (feos.PlanarInterface\n", + " .from_pdgt(vle, 1024)\n", + " .solve()\n", + " .surface_tension)\n", + "surface_tension_pdgt" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "1bb266d3-8dbf-4bbf-833d-42bfee960fe8", + "metadata": {}, + "outputs": [ + { + "data": { + "text/latex": [ + "$20.191\\,\\mathrm{\\frac{mN}{m}}$" + ], + "text/plain": [ + "20.190693016626028 mN/m" + ] + }, + "execution_count": 4, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "surface_tension_tanh = (feos.PlanarInterface\n", + " .from_tanh(vle, 1024, 100 * si.ANGSTROM, 500 * si.KELVIN)\n", + " .solve()\n", + " .surface_tension\n", + ")\n", + "surface_tension_tanh" + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "feos", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.13.5" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/rust_api.html b/rust_api.html new file mode 100644 index 000000000..e56b4828f --- /dev/null +++ b/rust_api.html @@ -0,0 +1,707 @@ + + + + + + + + + API - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+ +
+ +
+ +
+
+ + + + + + + + + + \ No newline at end of file diff --git a/rustguide/core/equation_of_state.html b/rustguide/core/equation_of_state.html new file mode 100644 index 000000000..bf02b2734 --- /dev/null +++ b/rustguide/core/equation_of_state.html @@ -0,0 +1,927 @@ + + + + + + + + + The EquationOfState Trait - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

The EquationOfState Trait

+

In FeOs, an instance of an equation of state stores information of the chemical system (i.e. the model parameters) we are interested in. +But we formally make no assumptions about these model parameters - this is entirely up to the respective implementation which gives a lot of flexibility with respect to parameter handling and storage.

+

For example, we want to compute properties for a mixture containing water and acetone, so we create or read in the appropriate parameters and initialize an equation of state. +If we decide to work with different substances, we start over from scratch: somehow get parameters for the new mixture and create a new instance of the equation of state. +You can have multiple instances at the same time, and each can have their own parameters.

+

This concept is important, since the equation of state object, or more precisely a pointer to it, is shared between all thermodynamic states that we create with it.

+

The entry point for learning to understand how equations of state are implemented in FeOs is the EquationOfState trait. +Shown below are the functions you have to implement when creating a new equation of state.

+
// file: feos-core/src/equation_of_state.rs
+
+/// A general equation of state.
+pub trait EquationOfState {
+    /// Return the number of components of the equation of state.
+    fn components(&self) -> usize;
+
+    /// Return an equation of state consisting of the components
+    /// contained in component_list.
+    fn get_subset(&self, component_list: &[usize]) -> Self;
+
+    /// Return the maximum density in Angstrom^-3.
+    ///
+    /// This value is used as an estimate for a liquid phase for phase
+    /// equilibria and other iterations. It is not explicitly meant to
+    /// be a mathematical limit for the density (if those exist in the
+    /// equation of state anyways).
+    fn compute_max_density(&self, moles: &Array1<f64>) -> f64;
+
+    /// Return a slice of the individual contributions (excluding the ideal gas)
+    /// of the equation of state.
+    fn residual(&self) -> &[Box<dyn HelmholtzEnergy>];
+
+    // Other methods omitted.
+}
+
+
+

Let’s take a look at the different methods we need to implement to qualify for an equation of state.

+
    +
  • components: return the number of substances in the system you want to explore. This method is important for algorithms that are specifically written for pure component systems where the return value of components is used to decide what method to use.

  • +
  • get_subset: create a new equation of state for a subset of components, where the component_list contains the indices of the components to pick. This method allows calculating pure substance properties in a mixture in a convenient fashion.

  • +
  • compute_max_density: the returned density is used as starting value for algorithms that perform iterations in the density (or the volume). Note that the return value is a number density in units of inverse cubic angstrom.

  • +
  • residual: it returns a slice containing objects that implement the HelmholtzEnergy trait (trait objects, see below). In other words: it returns the different contributions to the residual Helmholtz energy. This structure is motivated by the fact that equations of state can often be split into different, additive Helmholtz energy contributions.

  • +
+

Implementing EquationOfState comes down to defining one or more structs that all implement the HelmholtzEnergy trait.

+
+

The HelmholtzEnergyDual and HelmholtzEnergy Traits

+

The residual method returns a slice of trait objects, denoted by the dyn keyword.

+
fn residual(&self) -> &[Box<dyn HelmholtzEnergy>];
+
+
+

A trait object allows us to return a slice of different structs that share common behavior, i.e. all implement the same trait. +Discussion of trait objects is out of the scope of this documentation - for now it is sufficient to note that not all traits can be made into trait objects. +In fact, a trait is not object-safe (i.e. cannot be made into a trait object) if it has generic type parameters. +This is a problem, since we want to be able to use generic dual numbers as type parameters for our equation of state. +The non-object-safe trait to do that is the HelmholtzEnergyDual trait:

+
// This trait cannot be made into a trait object
+pub trait HelmholtzEnergyDual<D: DualNum<f64>> {
+    fn helmholtz_energy(&self, state: &StateHD<D>) -> D;
+}
+
+
+

Our solution is to create an object-safe supertrait.html#using-supertraits-to-require-one-traits-functionality-within-another-trait) that wraps HelmholtzEnergyDual with possible permutations of type parameters:

+
// automatically implemented for struct that implements `HelmholtzEnergyDual`
+pub trait HelmholtzEnergy:
+    HelmholtzEnergyDual<f64>
+    + HelmholtzEnergyDual<Dual64>
+    + HelmholtzEnergyDual<HyperDual64>
+    + HelmholtzEnergyDual<Dual3_64>
+    + HelmholtzEnergyDual<HyperDual<Dual64, f64>>
+    + HelmholtzEnergyDual<Dual3<Dual64, f64>>
+    + fmt::Display
+{
+}
+
+
+

Once we implement HelmholtzEnergyDual for our structs, the HelmholtzEnergy trait is automatically implemented and we can create and return trait objects. +This is a bit of an inconvenience but as long as we don’t need HelmholtzEnergyDual with a new dual number it’s not an issue in practice.

+

Note that helmholtz_energy method must return the reduced energy, i.e. \(\frac{A^\text{res}}{k_B T}\).

+
+
+

Residual Helmholtz Energy

+

The residual Helmholtz energy is then computed as sum of all contributions:

+
/// Evaluate the residual reduced Helmholtz energy $\beta A^\mathrm{res}$.
+///
+/// For simple equations of state (see e.g. `PengRobinson`) it might be
+/// easier to overwrite this function instead of implementing `residual`.
+fn evaluate_residual<D: DualNum<f64>>(&self, state: &StateHD<D>) -> D
+where
+    dyn HelmholtzEnergy: HelmholtzEnergyDual<D>,
+{
+    self.residual()
+        .iter()
+        .map(|c| c.helmholtz_energy(state))
+        .sum()
+}
+
+
+

As noted before, this structure is informed by equations of state with multiple contributions to the residual Helmholtz energy. +If we implement an equation of state with a single contribution, it might be more convenient to overwrite the evaluate_residual function.

+
+
+

The Ideal Gas Contribution

+

The EquationOfState trait has an ideal_gas method that returns a IdealGasContribution trait object. +If we don’t overwrite this method, it returns a default contribution in which the de Broglie wavelength is unity for each component.

+

This contribution is important if you are interested in non-residual properties, e.g. total heat capacities and total enthalpies. +Note that the default implementation yields the correct results for properties that do not include derivatives with respect to temperature because the de Broglie wavelength then cancels out.

+
// file: feos-core/src/equation_of_state.rs
+
+/// A general equation of state.
+pub trait EquationOfState {
+    // other methods omitted.
+
+    /// Return the ideal gas contribution.
+    ///
+    /// Per default this function returns an ideal gas contribution
+    /// in which the de Broglie wavelength is 1 for every component.
+    /// Therefore, the correct ideal gas pressure is obtained even
+    /// with no explicit ideal gas term. If a more detailed model is
+    /// required (e.g. for the calculation of enthalpies) this function
+    /// has to be overwritten.
+    fn ideal_gas(&self) -> &dyn IdealGasContribution {
+        &DefaultIdealGasContribution()
+    }
+}
+
+
+

The IdealGasContribution supertrait is assembled from IdealGasContributionDual (for an explanation why, see HelmholtzEnergy trait), where we have to provide an implementation for the de_broglie_wavelength (actually \(\ln \Lambda^3\) with \([\Lambda] = A\)):

+
// file: feos-core/src/equation_of_state.rs
+
+/// Ideal gas Helmholtz energy contribution that can
+/// be evaluated using generalized (hyper) dual numbers.
+pub trait IdealGasContributionDual<D: DualNum<f64>> {
+    /// The thermal de Broglie wavelength of each component in the form $\ln\left(\frac{\Lambda^3}{\AA^3}\right)$
+    fn de_broglie_wavelength(&self, temperature: D, components: usize) -> Array1<D>;
+
+    /// Evaluate the ideal gas contribution for a given state.
+    ///
+    /// In some cases it could be advantageous to overwrite this
+    /// implementation instead of implementing the de Broglie
+    /// wavelength.
+    fn evaluate(&self, state: &StateHD<D>) -> D {
+        let lambda = self.de_broglie_wavelength(state.temperature, state.moles.len());
+        ((lambda
+            + state.partial_density.mapv(|x| {
+                if x.re() == 0.0 {
+                    D::from(0.0)
+                } else {
+                    x.ln() - 1.0
+                }
+            }))
+            * &state.moles)
+            .sum()
+    }
+}
+
+
+

Accordingly, the Helmholtz energy is given by

+
+
+\[\frac{A^\text{ideal gas}}{RT} = \sum_i^{N_s} n_i (\ln [\rho_i \Lambda_i^3] - 1)\]
+
+

where \(i\) is the substance index and \(N_s\) denotes the number of substances in the mixture.

+
+
+

Additional Traits

+
+

The MolarWeight Trait

+

If an equation of state implements this trait, a State created with the equation of state additionally provides mass specific variants of all properties.

+
// file: feos-core/src/equation_of_state.rs
+/// Molar weight of all components.
+///
+/// The trait is required to be able to calculate (mass)
+/// specific properties.
+pub trait MolarWeight<U: EOSUnit> {
+    fn molar_weight(&self) -> QuantityArray1<U>;
+}
+
+
+
+
+

The EntropyScaling Trait

+

This trait provides methods to compute dynamic properties via entropy scaling. +We have to implement a reference to produce the reduced property and a correlation function that models the behavior of the logarithmic reduced property as a function of the reduced residual entropy.

+
// file: feos-core/src/equation_of_state.rs
+/// Reference values and residual entropy correlations for entropy scaling.
+pub trait EntropyScaling<U: EOSUnit, E: EquationOfState> {
+    fn viscosity_reference(&self, state: &State<U, E>) -> Result<QuantityScalar<U>, EoSError>;
+    fn viscosity_correlation(&self, s_res: f64, x: &Array1<f64>) -> Result<f64, EoSError>;
+    fn diffusion_reference(&self, state: &State<U, E>) -> Result<QuantityScalar<U>, EoSError>;
+    fn diffusion_correlation(&self, s_res: f64, x: &Array1<f64>) -> Result<f64, EoSError>;
+    fn thermal_conductivity_reference(
+        &self,
+        state: &State<U, E>,
+    ) -> Result<QuantityScalar<U>, EoSError>;
+    fn thermal_conductivity_correlation(
+        &self,
+        s_res: f64,
+        x: &Array1<f64>,
+    ) -> Result<f64, EoSError>;
+}
+
+
+
+
+
+

Summary

+

To implement an equation of state that consists of multiple contributions to the residual Helmholtz energy, we:

+
    +
  1. Create a struct for our model parameters.

  2. +
  3. Create a struct for each contribution to the residual Helmholtz energy. Store the parameters in a reference counted pointer (e.g. Rc).

  4. +
  5. For each of these structs we implement the HelmholtzEnergyDual trait.

  6. +
  7. Create the struct that will be our equation of state. Store our model parameters (also in a Rc), and our contributions.

  8. +
  9. Then, implement EquationOfState (components, get_subset, compute_max_density, and residual) for this struct.

  10. +
+
+
+ +
+
+
+ + +
+
+ + Made with Sphinx and @pradyunsg's + + Furo + +
+
+ +
+
+ +
+
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/rustguide/core/index.html b/rustguide/core/index.html new file mode 100644 index 000000000..249657378 --- /dev/null +++ b/rustguide/core/index.html @@ -0,0 +1,729 @@ + + + + + + + + + feos-core - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

feos-core

+

In this section, we discuss the feos-core crate. +We will learn how equations of state are abstracted using traits, how generalized (hyper-) dual numbers are utilized and how thermodynamic states and phase equilibria are defined.

+
+

Setup

+

To setup your workspace, fork the feos github repository and from that clone the fork.

+

To build the Rust library, switch to the feos-core crate

+
cd feos-core
+
+
+

and type:

+
cargo build
+
+
+
+
+

Important crates

+

feos-core depends on a number of other important crates. Most notably, we use

+
    +
  • quantity: for scalar and vector valued dimensioned quantities. Those are used in almost all user-facing interfaces.

  • +
  • num-dual: for generalized (hyper-) dual numbers. These data types are very important because we use them to be able to compute partial, higher-order derivatives of the Helmholtz energy without needing to implement them analytically.

  • +
  • ndarray: for multidimensional arrays. We use these when mathematical operations are performed on arrays. They are a central data structure for feos-dft.

  • +
  • pyo3: for the Python interface. All interfaces to Python are written in pure Rust using PyO3. It’s awesome.

  • +
+
+
+
+
+ +
+
+
+ + +
+
+ + Made with Sphinx and @pradyunsg's + + Furo + +
+
+ +
+
+ +
+
+ +
+
+ + + + + + + + + + \ No newline at end of file diff --git a/rustguide/core/state.html b/rustguide/core/state.html new file mode 100644 index 000000000..78db7de9e --- /dev/null +++ b/rustguide/core/state.html @@ -0,0 +1,1042 @@ + + + + + + + + + Thermodynamic States - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Thermodynamic States

+

One of the most important data type of FeOs is the State struct.

+
// file: feos-core/src/state/mod.rs
+
+// Documentation omitted
+pub struct State<U, E> {
+    /// Equation of state
+    pub eos: Rc<E>,
+    /// Temperature $T$
+    pub temperature: QuantityScalar<U>,
+    /// Volume $V$
+    pub volume: QuantityScalar<U>,
+    /// Mole numbers $N_i$
+    pub moles: QuantityArray1<U>,
+    /// Total number of moles $N=\sum_iN_i$
+    pub total_moles: QuantityScalar<U>,
+    /// Partial densities $\rho_i=\frac{N_i}{V}$
+    pub partial_density: QuantityArray1<U>,
+    /// Total density $\rho=\frac{N}{V}=\sum_i\rho_i$
+    pub density: QuantityScalar<U>,
+    /// Mole fractions $x_i=\frac{N_i}{N}=\frac{\rho_i}{\rho}$
+    pub molefracs: Array1<f64>,
+    /// Reduced temperature
+    reduced_temperature: f64,
+    /// Reduced volume,
+    reduced_volume: f64,
+    /// Reduced moles
+    reduced_moles: Array1<f64>,
+    /// Cache
+    cache: RefCell<Cache>,
+}
+
+
+

A State hase two parameters, U, which specifies the physical units to use, and E which specifies which equation of state to use. +A State

+
    +
  • stores (a pointer to) the equation of state,

  • +
  • is used to store temperature, volume, and amount of substance per species as dimensioned quantities,

  • +
  • defines constructors for different combination of inputs, e.g. \((T, p)\), \((h, p)\), \((T, s)\) or \((T, p, \mathbf{x})\),

  • +
  • defines constructors for critical point calculations,

  • +
  • and provides methods to compute thermodynamic properties such as pressure, chemical potential or fugacity.

  • +
+

State is the object users interact with the most. +In what follows we will take a closer look at the specific procedures to compute a property for a given State.

+
+

The natural variables of State

+

FeOs is build around equations of state that are formulated in terms of residual Helmholtz energies. +We harness the fact that all thermodynamic properties of a system can be computed from (partial) derivatives of the Helmholtz energy. +As a consequence, we store the natural variables of the Helmholtz energy, \((\mathbf{N}, V, T)\), in our State object together with some other variables for convenience, such as the density or the mole fractions.

+

The most straight forward way to construct a State is by providing \((\mathbf{N}, V, T)\). +Using other constructors, e.g. for given pressure, entropy or enthalpy, is more expensive since we have to perform an iteration of volume (density) and/or temperature.

+
+
+

Computing Thermodynamic Properties

+
+

Generalized (Hyper-) Dual Numbers

+

As mentioned above, thermodynamic properties can readily be computed via (partial) derivatives once the Helmholtz energy function is known. +In our code, these derivatives are not implemented analytically, instead we use generalized dual numbers (in what follows only referred to as dual numbers).

+

Dual numbers, by construction, enable the simultaneous evaluation of a function and its partial derivatives. +Which derivatives of a function can be determined depends on the concrete dual number. +For example, for the first derivative a dual number consisting of a real and one non-real part is sufficient while for second partial derivatives we need a dual number consisting of a real and three non-real parts (this number is referred to as hyper-dual number).

+

Our implementation of dual numbers provides multiple data types that can be used depending on the derivative that is needed. +Consequently, computation of partial derivatives comes down to writing the Helmholtz energy function in terms of generalized dual numbers. +Technically, this is achieved by parameterization of the Helmholtz energy function over the DualNum trait, a trait all dual numbers implement, and which provides operator overloading and a wide range of commonly used mathematical functions.

+

At the point of this writing, rust is still missing some features that enable us to write our implementation as if we were using floating point numbers. +For example, since specialization is not yet implemented, in some situations we have to change the order in which arithmetic operations are performed when working with arrays, because the leftmost argument defines the data type of the output. +This is a minor inconvenience though and something you’ll get quickly used to.

+

If you are interested in the inner workings of generalized dual numbers, check out these sources:

+ +
+
+

The StateHD Struct

+

So, how can we compute a property for a given State using dual numbers? +Let’s run through a small example. +Note thought, that the way properties are actually calculated is a bit more involved - we will talk about that in more detail below.

+

Let us assume we already created a State e.g. for a given temperature and partial density and now we want to compute the residual entropy at this condition. +The residual entropy is defined as

+
+
+\[S^\text{res} = -\left(\frac{\partial A^\text{res}}{\partial T}\right)_{\mathbf{N}, V}\]
+
+

We need the first derivative of the residual Helmholtz energy with respect to temperature. +The first derivative can be computed using a dual number consisting of a real part and one non-real part which is a Dual64 struct. +Looking at the signature of the Helmholtz energy function, we see that it takes a StateHD<D> as input (not a State), where D is a generalized dual number (D: DualNum<f64>):

+
/// The Helmholtz energy contribution $\beta A$ of a given state in reduced units.
+fn helmholtz_energy(&self, state: &StateHD<D>) -> D;
+
+
+

StateHD contains the same state variables as the State object, but instead of dimensioned quantities, properties are stored as generalized dual numbers:

+
// file: feos-core/src/state/mod.rs
+
+/// Thermodynamic state of the system in reduced variables
+/// including their derivatives.
+///
+/// Properties are stored as generalized (hyper) dual numbers which allows
+/// for automatic differentiation.
+#[derive(Clone, Debug)]
+pub struct StateHD<D: DualNum<f64>> {
+    /// temperature in Kelvin
+    pub temperature: D,
+    /// volume in Angstrom^3
+    pub volume: D,
+    /// number of particles
+    pub moles: Array1<D>,
+    /// mole fractions
+    pub molefracs: Array1<D>,
+    /// partial number densities in Angstrom^-3
+    pub partial_density: Array1<D>,
+}
+
+
+

To compute the first derivative, we have to create a StateHD<Dual64>.

+

This can be done “by hand”, placing the state variables of State as real parts of our dual numbers in StateHD. +This can conveniently be done using reduced variables. +Next, we have to modify the non-real part of the temperature dual number since we want to compute the partial derivative with respect to temperature which is done by setting the dual part of the temperature to unity.

+
// "state" is our State struct we already constructed.
+
+// create an array of dual numbers from array of f64
+let n = state.reduced_moles.mapv(Dual64::from);
+let v = Dual64::from(state.reduced_volume);
+// .derive() sets the dual part to unity
+let t = Dual64::from(state.reduced_temperature).derive();
+let state_hd = StateHD<Dual64>::new(t, v, n);
+
+
+

The result of the helmholtz_energy function using this StateHD is also a Dual64 where the dual part contains the temperature derivative of the residual Helmholtz energy.

+

In our code, you won’t construct StateHD objects “by hand” as we just did in our example. +There are methods that produce the correct dual number types and set the correct non-real parts according to the partial derivative you want to compute.

+
+
+

Helmholtz Energy Contributions

+

The above example is a bit simplified and in our real code we have to do some additional legwork, mainly concerning the contributions to the Helmholtz energy that are computed.

+

We differentiate between the following contributions to a property:

+
    +
  • Total: ideal gas contribution plus contribution to the property from the residual Helmholtz energy,

  • +
  • Residual: residual property, with respect to the ideal gas at given temperature and volume,

  • +
  • ResidualP: residual property, with respect to the ideal gas at given temperature and pressure,

  • +
  • IdealGas: ideal gas part of the property.

  • +
+

These variants are encoded in the Contributions enum. +Furthermore, computation of a property (for given contributions) is different for additive and non-additive properties, so we have to take this into account as well.

+
+
+

Entropy, again!

+

Let’s look at the actual implementation of the entropy, the entropy method of State. +There are multiple layers we have to dig through, but hopefully everything makes sense to you in the end. +You can think of each layer as an answer to a question:

+
    +
  • +
    Which contributions should be computed and is the property additive?
      +
    • Define how the property is computed.

    • +
    +
    +
    +
  • +
  • +
    What partial derivatives are needed?
      +
    • Construct StateHD object with correct dual number types.

    • +
    +
    +
    +
  • +
  • +
    Was this property computed before?
      +
    • Yes: retrieve value from the cache.

    • +
    • No: perform computation and update cache.

    • +
    +
    +
    +
  • +
  • +
    What’s the proper unit?
      +
    • Multiply the respective reference values.

    • +
    +
    +
    +
  • +
+

The entropy method is defined in the impl block of State and looks like so:

+
// file: feos-core/src/state/properties.rs
+pub fn entropy(&self, contributions: Contributions) -> QuantityScalar<U> {
+    self.evaluate_property(Self::entropy_, contributions, true)
+}
+
+
+

Most of the properties defined for a State will look similar to the above method:

+
    +
  • Self::entropy_ defines the actual computation (we will look at this function below),

  • +
  • contributions will inform if and how the ideal gas and residual contributions will be included, and

  • +
  • true signals that entropy is an additive property.

  • +
+

evaluate_property then simply calls the function (here entropy_) and handles the ideal gas contribution:

+
// file: feos-core/src/state/properties.rs
+fn evaluate_property<R, F>(&self, f: F, contributions: Contributions, additive: bool) -> R
+where
+    R: Sub<Output = R>,
+    F: Fn(&Self, Evaluate) -> R,
+{
+    match contributions {
+        Contributions::IdealGas => f(self, Evaluate::IdealGas),
+        Contributions::Total => f(self, Evaluate::Total),
+        Contributions::Residual => {
+            if additive {
+                f(self, Evaluate::Residual)
+            } else {
+                f(self, Evaluate::Total) - f(self, Evaluate::IdealGas)
+            }
+        }
+        Contributions::ResidualP => {
+            let p = self.pressure_(Evaluate::Total);
+            let state_p = Self::new_nvt(
+                &self.eos,
+                self.temperature,
+                self.total_moles * U::gas_constant() * self.temperature / p,
+                &self.moles,
+            )
+            .unwrap();
+            f(self, Evaluate::Total) - f(&state_p, Evaluate::IdealGas)
+        }
+    }
+}
+
+
+

For example, the residual value of the additive property entropy can be computed by evaluating the partial derivative of the residual Helmholtz energy while a non-additive property (e.g. the heat capacity) is computed by taking the difference between the total property and the ideal gas property.

+

Let’s look at the entropy_ method:

+
// file: feos-core/src/state/properties.rs
+fn entropy_(&self, evaluate: Evaluate) -> QuantityScalar<U> {
+    -self.get_or_compute_derivative(PartialDerivative::First(DT), evaluate)
+}
+
+
+

That might be a bit confusing: we used a Contribution in entropy and now we use an Evaluate enum in entropy_. +Why is that? +Evaluate is a subset of Contribution (containing Total, IdealGas, and Residual) and simply introduced to make evaluate_property and get_or_compute_derivative more readable.

+

The get_or_compute_derivative method does multiple things in the following order:

+
    +
  1. Given Evaluate, decide what Helmholtz energy contributions to compute: ideal gas, residual or the sum of both.

  2. +
  3. Given the PartialDerivative, the the correct StateHD object is built by choosing what dual number type to use and which dual parts to modify. In our example, it is a StateHD<Dual64> where the dual part of the temperature is unity.

  4. +
  5. Check if the derivative is already cached.

  6. +
  7. Either return the cached value or compute the derivative and add it to the cache.

  8. +
  9. Given the PartialDerivative, multiply the result with dimensioned reference quantities, e.g. for entropy, we multiply with the reference energy and divide by the reference temperature.

  10. +
+
+
+
+

How to Add a New Property

+

Now that we discussed how properties are computed, let’s talk about the two possible ways to add new properties to a state. +The first and easiest way is to use a combination of existing properties. +As example, consider the Joule Thomson coefficient, defined as

+
+
+\[\mu_{JT}=\left(\frac{\partial T}{\partial p}\right)_{H,N_i} = -\frac{1}{C_p} \left(V + T \left(\frac{\partial p}{\partial T}\right) \bigg/ \left(\frac{\partial p}{\partial V}\right)\right) \,\]
+
+

which is implemented as

+
// file: feos-core/src/state/properties.rs
+pub fn joule_thomson(&self) -> QuantityScalar<U> {
+    let c = Contributions::Total;
+    -(self.volume + self.temperature * self.dp_dt(c) / self.dp_dv(c))
+        / (self.total_moles * self.c_p(c))
+}
+
+
+

Here, we don’t use Contributions as argument because it’s nonsensical for this property, and since we already have functions for the terms needed within the calculation, we don’t construct the partial derivatives by hand. +Note that all properties here are dimensioned quantities and so is the result.

+

In contrast to the Joule Thomson coefficient, properties such as partial derivatives of pressure are implemented similar to what we saw before for the entropy:

+
// file: feos-core/src/state/properties.rs
+
+fn dp_dv_(&self, evaluate: Evaluate) -> QuantityScalar<U> {
+    -self.get_or_compute_derivative(PartialDerivative::Second(DV, DV), evaluate)
+}
+
+fn dp_dt_(&self, evaluate: Evaluate) -> QuantityScalar<U> {
+    -self.get_or_compute_derivative(PartialDerivative::Second(DV, DT), evaluate)
+}
+
+
+
+

Array Valued Properties

+

Note that the return types for all given examples were scalar dimensioned values (QuantityScalar). +For partial derivatives w.r.t. the amount of substance of a species, you need an array as return type. +For example, take a look at the chemical potential:

+
// file: feos-core/src/state/properties.rs
+
+pub fn chemical_potential(&self, contributions: Contributions) -> QuantityArray1<U> {
+    self.evaluate_property(Self::chemical_potential_, contributions, true)
+}
+
+fn chemical_potential_(&self, evaluate: Evaluate) -> QuantityArray1<U> {
+    QuantityArray::from_shape_fn(self.eos.components(), |i| {
+        self.get_or_compute_derivative(PartialDerivative::First(DN(i)), evaluate)
+    })
+}
+
+
+

Here, QuantityArray::from_shape:fn will create an array given a shape (here one-dimension: the number of components of the equation of state, self.eos.components()) and a function that returns a scalar value. +This is not limited to one-dimensional arrays, of course, as can be seen in the implementation of the partial derivative of the chemical potential:

+
// file: feos-core/src/state/properties.rs
+fn dmu_dni_(&self, evaluate: Evaluate) -> QuantityArray2<U> {
+    let n = self.eos.components();
+    QuantityArray::from_shape_fn((n, n), |(i, j)| {
+        self.get_or_compute_derivative(
+            PartialDerivative::Second(DN(i), DN(j)),
+            evaluate
+        )
+    })
+}
+
+
+

which returns a matrix (two-dimensional array of dimensioned values, QuantityArray2).

+
+
+
+

Summary

+
    +
  • State stores state variables as dimensioned quantities.

  • +
  • StateHD stores state variables as generalized dual numbers.

  • +
  • Properties are computed by evaluating the Helmholtz energy using a StateHD as input.

  • +
  • Properties can be computed including or excluding the ideal gas contributions, which is controlled using the Contributions enum.

  • +
  • New properties are implemented either by calling get_or_compute_derivative or by combining existing properties.

  • +
+
+
+ +
+
+
+ + +
+
+ + Made with Sphinx and @pradyunsg's + + Furo + +
+
+ +
+
+ +
+
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/rustguide/index.html b/rustguide/index.html new file mode 100644 index 000000000..5632bded5 --- /dev/null +++ b/rustguide/index.html @@ -0,0 +1,761 @@ + + + + + + + + + Guide - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Guide

+

Welcome to the \(\text{FeO}_\text{s}\) Rust guide. +On the following pages we discuss the structure of the \(\text{FeO}_\text{s}\) project and how to use, compile and extend it.

+
+

Introduction

+

\(\text{FeO}_\text{s}\) is primarily developed on Linux but it is tested and runs on Linux, macOS and Windows. +You need a Rust compiler to compile the code. +For development, Visual Studio Code with the rust-analyzer plugin works pretty well, but you should use what you are comfortable in.

+
+
+

Prerequisites

+

If you are unfamiliar with Rust a good place to start is the Rust Programming Language Book. +To start following our guide, you should understand the following topics:

+
    +
  • how Rust projects, called crates, are structured (the module system),

  • +
  • data types and structs,

  • +
  • the Rust ownership model,

  • +
  • enums and pattern matching,

  • +
  • traits,

  • +
+

With these foundations you should be able to follow the discussion. +Eventually you’ll need to learn and understand

+
    +
  • limitations of traits and trait objects,

  • +
  • smart pointers (Rc and Box),

  • +
  • and the pyO3 crate if you are interested in the Python interface.

  • +
+
+
+

Project Structure

+

Some common functionalities of \(\text{FeO}_\text{s}\) are contained in separate workspace crates so that they can be used as standalone dependencies outside of \(\text{FeO}_\text{s}\). +The most important ones are

+
    +
  • feos-core (core for short): defines traits and structs for equations of state and implements thermodynamic states, phase equilibria and critical point routines.

  • +
  • feos-dft (dft for short): builds on core and defines traits and structs for classical density functional theory and implements utilities to work with convolutions, external potentials, etc.

  • +
+

These crates offer abstractions for tasks that are common for all equations of state and Helmholtz energy functionals. +Using core and dft, the following implementations of equations of state and functionals are currently available:

+
    +
  • pcsaft: the PC-SAFT equation of state and Helmholtz energy functional.

  • +
  • gc-pcsaft: the hetero-segmented group contribution method of the PC-SAFT equation of state.

  • +
  • uv-theory: the equation of state based on uv-Theory.

  • +
  • pets: the PeTS equation of state and Helmholtz energy functional.

  • +
+

In addition to that, the hard_sphere and assocation modules contain implementations of the corresponding Helmholtz energy contributions that are used across multiple models.

+

To reduce compile times during development, every model is gated by its own feature. Specific parts of the library can be built and tested by passing the corresponding feature flags to the Rust compiler.

+

Due to the particular treatment of procedural macros in Rust, an additional workspace crate feos-derive provides procedural macros for the implementation of the EquationOfState and HelmholtzEnergyFunctional traits for enums used in FFIs like PyO3.

+
+
+

Where to Get Help

+

\(\text{FeO}_\text{s}\) is openly developed on github. Each crate has it’s own github repository where you can use the discussion feature or file an issue.

+
+
+
+
+ +
+
+
+ + +
+
+ + Made with Sphinx and @pradyunsg's + + Furo + +
+
+ +
+
+ +
+
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/search.html b/search.html new file mode 100644 index 000000000..77bccff36 --- /dev/null +++ b/search.html @@ -0,0 +1,688 @@ + + + + + + + + + +Search - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+
+ +
+ +
+
+ + + +
+ +
+
+
+ + +
+
+ + Made with Sphinx and @pradyunsg's + + Furo + +
+
+ +
+
+ +
+
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/searchindex.js b/searchindex.js new file mode 100644 index 000000000..a8b7fdc73 --- /dev/null +++ b/searchindex.js @@ -0,0 +1 @@ +Search.setIndex({"alltitles":{"API":[[267,null],[281,null]],"Accessing information from parameter objects":[[306,"Accessing-information-from-parameter-objects"]],"Accessing parameters from the equation of state":[[306,"Accessing-parameters-from-the-equation-of-state"]],"Additional Traits":[[282,"additional-traits"]],"Adsorption":[[1,"adsorption"]],"Anderson mixing":[[293,"anderson-mixing"]],"Array Valued Properties":[[284,"array-valued-properties"]],"Arrays of quantities":[[309,"Arrays-of-quantities"]],"Association":[[297,null]],"Automatic differentiation":[[0,null]],"Available equations of state":[[0,"available-equations-of-state"]],"Bubble points":[[273,"Bubble-points"]],"Bubble points with cross-association":[[273,"Bubble-points-with-cross-association"]],"Build equations of state":[[304,"Build-equations-of-state"]],"Building a pandas.DataFrame: the to_dict method":[[305,"Building-a-pandas.DataFrame:-the-to_dict-method"]],"Building parameters in Python":[[306,"Building-parameters-in-Python"]],"Calculation of contact angles with cDFT":[[274,null]],"Calculation of the enthalpy of adsorption from classical DFT":[[287,"calculation-of-the-enthalpy-of-adsorption-from-classical-dft"]],"Calculation of the fraction of non-bonded association sites":[[297,"calculation-of-the-fraction-of-non-bonded-association-sites"]],"Classical density functional theory":[[1,null],[291,null]],"Clausius-Clapeyron relation for porous media":[[287,"clausius-clapeyron-relation-for-porous-media"]],"Combined expression":[[288,"combined-expression"]],"Compare methods to NIST data (T = 450 K)":[[304,"Compare-methods-to-NIST-data-(T-=-450-K)"]],"Compare parameters":[[304,"Compare-parameters"]],"Comparison to NIST data using SurfaceTensionDiagram":[[301,"Comparison-to-NIST-data-using-SurfaceTensionDiagram"]],"Comparison to Rust implementation":[[302,"Comparison-to-Rust-implementation"]],"Computing Thermodynamic Properties":[[284,"computing-thermodynamic-properties"]],"Computing properties":[[302,"Computing-properties"]],"Concluding remkars":[[301,"Concluding-remkars"],[306,"Concluding-remkars"],[309,"Concluding-remkars"]],"Critical point":[[302,"Critical-point"]],"Critical point of a pure substance":[[275,null]],"Critical points and phase equilibria":[[272,"critical-points-and-phase-equilibria"]],"DFT":[[272,"dft"]],"DFT solvers":[[293,null]],"Data types":[[2,"data-types"]],"Density functional theory":[[300,null]],"Derivatives of density profiles":[[286,null]],"Derived units, constants and prefixes":[[309,"Derived-units,-constants-and-prefixes"]],"Do we need to create dual numbers by hand?":[[308,"Do-we-need-to-create-dual-numbers-by-hand?"]],"Dual Numbers":[[308,"Dual-Numbers"]],"Enthalpy of adsorption":[[287,"enthalpy-of-adsorption"]],"Enthalpy of adsorption and the Clausius-Clapeyron relation":[[287,null]],"Entropy scaling of pure substances":[[304,null]],"Entropy, again!":[[284,"entropy-again"]],"Equations of state":[[2,null],[295,null],[303,null]],"Euler-Lagrange equation":[[288,null]],"Example: Combine a DIPPR ideal gas model with PC-SAFT":[[2,"example-combine-a-dippr-ideal-gas-model-with-pc-saft"]],"Example: Combine the ideal gas model of Joback & Reid with PC-SAFT":[[2,"example-combine-the-ideal-gas-model-of-joback-reid-with-pc-saft"]],"Examples":[[0,"examples"]],"Features":[[270,"features"]],"From Python":[[306,"From-Python"]],"From a single file":[[306,"From-a-single-file"]],"From json files":[[306,"From-json-files"]],"From multiple files":[[306,"From-multiple-files"]],"Functional derivatives":[[289,null]],"Fundamental measure theory":[[298,"fundamental-measure-theory"]],"Further reading":[[306,"Further-reading"]],"Generalized (Hyper-) Dual Numbers":[[284,"generalized-hyper-dual-numbers"]],"Get PureRecords via parameters.pure_records":[[306,"Get-PureRecords-via-parameters.pure_records"]],"Getting started":[[270,"getting-started"]],"Goal":[[304,"Goal"],[306,"Goal"],[309,"Goal"]],"Goal of this notebook":[[301,"Goal-of-this-notebook"],[305,"Goal-of-this-notebook"]],"Guide":[[285,null]],"Hard spheres":[[298,null]],"Helmholtz Energy Contributions":[[284,"helmholtz-energy-contributions"]],"Helmholtz energy functional":[[297,"helmholtz-energy-functional"]],"Help & Feedback":[[269,null]],"Heterosegmented chains":[[288,"heterosegmented-chains"]],"Homosegmented chains":[[288,"homosegmented-chains"]],"How to Add a New Property":[[284,"how-to-add-a-new-property"]],"Ideal gas models":[[2,"ideal-gas-models"]],"Ideal gas properties":[[290,null]],"Implementation":[[302,"Implementation"]],"Implementing an equation of state in python":[[302,null]],"Import needed packages":[[304,"Import-needed-packages"]],"Important crates":[[283,"important-crates"]],"Installation":[[271,null]],"Introduction":[[285,"introduction"]],"Liquid density":[[273,"Liquid-density"]],"List of properties available in \\text{FeO}_\\text{s}":[[296,"list-of-properties-available-in-text-feo-text-s"]],"Mathematical operations and interaction with numpy":[[309,"Mathematical-operations-and-interaction-with-numpy"]],"Methods to build GcParameters":[[268,"methods-to-build-gcparameters"]],"Methods to build Parameters":[[268,"methods-to-build-parameters"]],"Mixtures":[[302,"Mixtures"],[306,"Mixtures"]],"Models":[[299,null]],"Models defined in Python":[[2,"models-defined-in-python"]],"Newton algorithm":[[293,"newton-algorithm"]],"On Dual Numbers in FeOs":[[308,null]],"Other data types":[[1,"other-data-types"],[268,"other-data-types"]],"PC-SAFT (individual component parameters)":[[304,"PC-SAFT-(individual-component-parameters)"]],"PC-SAFT expression for the association strength":[[297,"pc-saft-expression-for-the-association-strength"]],"PC-SAFT homo-GC":[[304,"PC-SAFT-homo-GC"]],"Parameter handling":[[268,null]],"Parameters and GcParameters":[[268,"parameters-and-gcparameters"]],"Parameters and the equation of state":[[306,"Parameters-and-the-equation-of-state"]],"Parameters for a single component":[[306,"Parameters-for-a-single-component"]],"Parameters for binary mixtures":[[306,"Parameters-for-binary-mixtures"]],"Parameters for mixtures with more than two components":[[306,"Parameters-for-mixtures-with-more-than-two-components"]],"Parameters from group contribution methods":[[306,"Parameters-from-group-contribution-methods"]],"Phase Diagram":[[302,"Phase-Diagram"]],"Phase diagram of a pure substance":[[277,null]],"Phase equilibria and phase diagrams":[[302,"Phase-equilibria-and-phase-diagrams"]],"Phase equilibria including derivatives":[[273,null]],"Phase equilibrium of a pure substance":[[278,null]],"Picard iteration":[[293,"picard-iteration"]],"Predictive density gradient theory":[[292,null]],"Prerequisites":[[285,"prerequisites"]],"Project Structure":[[285,"project-structure"]],"Properties":[[0,"properties"],[296,null]],"Properties and dual numbers":[[308,"Properties-and-dual-numbers"]],"Pure substance":[[306,"Pure-substance"]],"Pure substance phase diagrams":[[305,null]],"Read parameters from json file(s)":[[306,"Read-parameters-from-json-file(s)"]],"Read parameters from json for a single substance and generate PcSaft object":[[305,"Read-parameters-from-json-for-a-single-substance-and-generate-PcSaft-object"]],"Recipes":[[272,null]],"Residual Helmholtz Energy":[[282,"residual-helmholtz-energy"]],"Residual Helmholtz energy models":[[2,"residual-helmholtz-energy-models"]],"Residual properties":[[296,"residual-properties"]],"SAFT-VR Mie expression for the association strength":[[297,"saft-vr-mie-expression-for-the-association-strength"]],"Setup":[[283,"setup"]],"Solvation":[[1,"solvation"]],"Spherical molecules":[[288,"spherical-molecules"]],"Stability and critical points":[[294,null]],"Stored information":[[305,"Stored-information"]],"Summary":[[282,"summary"],[284,"summary"],[306,"Summary"],[308,"Summary"],[309,"Summary"]],"Surface tension diagram of a pure substance":[[279,null]],"Surface tension for single VLE":[[301,"Surface-tension-for-single-VLE"]],"Surface tension of a pure substance":[[280,null]],"Surface tension using PC-SAFT Helmholtz energy functionals":[[301,null]],"Table of contents":[[302,"Table-of-contents"]],"The EntropyScaling Trait":[[282,"the-entropyscaling-trait"]],"The EquationOfState Trait":[[282,null]],"The EquationOfState class":[[2,"the-equationofstate-class"]],"The HelmholtzEnergyDual and HelmholtzEnergy Traits":[[282,"the-helmholtzenergydual-and-helmholtzenergy-traits"]],"The HelmholtzEnergyFunctional class":[[1,"the-helmholtzenergyfunctional-class"]],"The Ideal Gas Contribution":[[282,"the-ideal-gas-contribution"]],"The MolarWeight Trait":[[282,"the-molarweight-trait"]],"The PhaseDiagram object":[[305,"The-PhaseDiagram-object"]],"The PhaseEquilibrium object":[[305,"The-PhaseEquilibrium-object"]],"The StateHD Struct":[[284,"the-statehd-struct"]],"The natural variables of State":[[284,"the-natural-variables-of-state"]],"The si-units module":[[309,"The-si-units-module"]],"The states method returns all PhaseEquilibrium objects from PhaseDiagram":[[305,"The-states-method-returns-all-PhaseEquilibrium-objects-from-PhaseDiagram"]],"Thermodynamic States":[[284,null]],"Thermodynamic state: the State object":[[302,"Thermodynamic-state:-the-State-object"]],"Tutorials":[[307,null]],"Usage":[[270,"usage"]],"Utility":[[310,null]],"Vapor pressure":[[273,"Vapor-pressure"]],"Vapor pressure and boiling temperature of a pure substance":[[276,null]],"Vapor-liquid interfaces":[[1,"vapor-liquid-interfaces"]],"Want to learn more?":[[270,"want-to-learn-more"]],"Water parameters for PC-SAFT":[[301,"Water-parameters-for-PC-SAFT"]],"Welcome to \\text{FeO}_\\text{s}":[[270,null]],"Where to Get Help":[[285,"where-to-get-help"]],"With binary interaction parameters":[[306,"With-binary-interaction-parameters"]],"Working with SI-units":[[309,null]],"Working with parameters":[[306,null]],"feos-core":[[283,null]],"feos.Adsorption1D":[[3,null]],"feos.Adsorption1D.__init__":[[4,null]],"feos.Adsorption1D.adsorption_isotherm":[[5,null]],"feos.Adsorption1D.desorption_isotherm":[[6,null]],"feos.Adsorption1D.equilibrium_isotherm":[[7,null]],"feos.Adsorption1D.phase_equilibrium":[[8,null]],"feos.Adsorption3D":[[9,null]],"feos.Adsorption3D.__init__":[[10,null]],"feos.Adsorption3D.adsorption_isotherm":[[11,null]],"feos.Adsorption3D.desorption_isotherm":[[12,null]],"feos.Adsorption3D.equilibrium_isotherm":[[13,null]],"feos.Adsorption3D.phase_equilibrium":[[14,null]],"feos.BinaryRecord":[[15,null]],"feos.BinaryRecord.__init__":[[16,null]],"feos.BinaryRecord.from_json_str":[[17,null]],"feos.BinaryRecord.to_dict":[[18,null]],"feos.BinaryRecord.to_json_str":[[19,null]],"feos.BinarySegmentRecord":[[20,null]],"feos.BinarySegmentRecord.__init__":[[21,null]],"feos.BinarySegmentRecord.from_json_str":[[22,null]],"feos.BinarySegmentRecord.to_dict":[[23,null]],"feos.BinarySegmentRecord.to_json_str":[[24,null]],"feos.ChemicalRecord":[[25,null]],"feos.ChemicalRecord.__init__":[[26,null]],"feos.ChemicalRecord.from_json":[[27,null]],"feos.ChemicalRecord.from_json_str":[[28,null]],"feos.ChemicalRecord.from_smiles":[[29,null]],"feos.ChemicalRecord.to_json_str":[[30,null]],"feos.Contributions":[[31,null]],"feos.Contributions.__init__":[[32,null]],"feos.DFTSolver":[[33,null]],"feos.DFTSolver.__init__":[[34,null]],"feos.DFTSolver.anderson_mixing":[[35,null]],"feos.DFTSolver.newton":[[36,null]],"feos.DFTSolver.picard_iteration":[[37,null]],"feos.EquationOfState":[[38,null]],"feos.EquationOfState.__init__":[[39,null]],"feos.EquationOfState.dippr":[[40,null]],"feos.EquationOfState.epcsaft":[[41,null]],"feos.EquationOfState.gc_pcsaft":[[42,null]],"feos.EquationOfState.ideal_gas":[[43,null]],"feos.EquationOfState.joback":[[44,null]],"feos.EquationOfState.max_density":[[45,null]],"feos.EquationOfState.multiparameter":[[46,null]],"feos.EquationOfState.multiparameter_ideal_gas":[[47,null]],"feos.EquationOfState.pcsaft":[[48,null]],"feos.EquationOfState.peng_robinson":[[49,null]],"feos.EquationOfState.pets":[[50,null]],"feos.EquationOfState.python_ideal_gas":[[51,null]],"feos.EquationOfState.python_residual":[[52,null]],"feos.EquationOfState.saftvrmie":[[53,null]],"feos.EquationOfState.saftvrqmie":[[54,null]],"feos.EquationOfState.second_virial_coefficient":[[55,null]],"feos.EquationOfState.second_virial_coefficient_temperature_derivative":[[56,null]],"feos.EquationOfState.third_virial_coefficient":[[57,null]],"feos.EquationOfState.third_virial_coefficient_temperature_derivative":[[58,null]],"feos.EquationOfState.uvtheory":[[59,null]],"feos.ExternalPotential":[[60,null]],"feos.ExternalPotential.CustomLJ93":[[61,null]],"feos.ExternalPotential.CustomSteele":[[62,null]],"feos.ExternalPotential.DoubleWell":[[63,null]],"feos.ExternalPotential.FreeEnergyAveraged":[[64,null]],"feos.ExternalPotential.HardWall":[[65,null]],"feos.ExternalPotential.LJ93":[[66,null]],"feos.ExternalPotential.SimpleLJ93":[[67,null]],"feos.ExternalPotential.Steele":[[68,null]],"feos.ExternalPotential.__init__":[[69,null]],"feos.FMTVersion":[[70,null]],"feos.FMTVersion.__init__":[[71,null]],"feos.GcParameters":[[72,null]],"feos.GcParameters.__init__":[[73,null]],"feos.GcParameters.from_json_segments":[[74,null]],"feos.GcParameters.from_json_smiles":[[75,null]],"feos.GcParameters.from_segments":[[76,null]],"feos.GcParameters.from_smiles":[[77,null]],"feos.Geometry":[[78,null]],"feos.Geometry.__init__":[[79,null]],"feos.HelmholtzEnergyFunctional":[[80,null]],"feos.HelmholtzEnergyFunctional.__init__":[[81,null]],"feos.HelmholtzEnergyFunctional.fmt":[[82,null]],"feos.HelmholtzEnergyFunctional.gc_pcsaft":[[83,null]],"feos.HelmholtzEnergyFunctional.pcsaft":[[84,null]],"feos.HelmholtzEnergyFunctional.pets":[[85,null]],"feos.HelmholtzEnergyFunctional.saftvrqmie":[[86,null]],"feos.Identifier":[[87,null]],"feos.Identifier.__init__":[[88,null]],"feos.IdentifierOption":[[89,null]],"feos.IdentifierOption.__init__":[[90,null]],"feos.PairCorrelation":[[91,null]],"feos.PairCorrelation.__init__":[[92,null]],"feos.PairCorrelation.entropy":[[93,null]],"feos.PairCorrelation.entropy_density":[[94,null]],"feos.PairCorrelation.internal_energy":[[95,null]],"feos.PairCorrelation.residual":[[96,null]],"feos.PairCorrelation.solve":[[97,null]],"feos.Parameters":[[98,null]],"feos.Parameters.__init__":[[99,null]],"feos.Parameters.from_json":[[100,null]],"feos.Parameters.from_multiple_json":[[101,null]],"feos.Parameters.from_records":[[102,null]],"feos.Parameters.new_binary":[[103,null]],"feos.Parameters.new_pure":[[104,null]],"feos.Parameters.to_json_str":[[105,null]],"feos.PhaseDiagram":[[106,null]],"feos.PhaseDiagram.__init__":[[107,null]],"feos.PhaseDiagram.binary_vle":[[108,null]],"feos.PhaseDiagram.binary_vlle":[[109,null]],"feos.PhaseDiagram.bubble_point_line":[[110,null]],"feos.PhaseDiagram.dew_point_line":[[111,null]],"feos.PhaseDiagram.lle":[[112,null]],"feos.PhaseDiagram.par_pure":[[113,null]],"feos.PhaseDiagram.pure":[[114,null]],"feos.PhaseDiagram.spinodal":[[115,null]],"feos.PhaseDiagram.to_dict":[[116,null]],"feos.PhaseEquilibrium":[[117,null]],"feos.PhaseEquilibrium.__init__":[[118,null]],"feos.PhaseEquilibrium.boiling_temperature":[[119,null]],"feos.PhaseEquilibrium.bubble_point":[[120,null]],"feos.PhaseEquilibrium.dew_point":[[121,null]],"feos.PhaseEquilibrium.heteroazeotrope":[[122,null]],"feos.PhaseEquilibrium.pure":[[123,null]],"feos.PhaseEquilibrium.tp_flash":[[124,null]],"feos.PhaseEquilibrium.vapor_pressure":[[125,null]],"feos.PhaseEquilibrium.vle_pure_comps":[[126,null]],"feos.PlanarInterface":[[127,null]],"feos.PlanarInterface.__init__":[[128,null]],"feos.PlanarInterface.entropy":[[129,null]],"feos.PlanarInterface.entropy_density":[[130,null]],"feos.PlanarInterface.from_density_profile":[[131,null]],"feos.PlanarInterface.from_pdgt":[[132,null]],"feos.PlanarInterface.from_tanh":[[133,null]],"feos.PlanarInterface.interfacial_enrichment":[[134,null]],"feos.PlanarInterface.interfacial_thickness":[[135,null]],"feos.PlanarInterface.internal_energy":[[136,null]],"feos.PlanarInterface.relative_adsorption":[[137,null]],"feos.PlanarInterface.residual":[[138,null]],"feos.PlanarInterface.solve":[[139,null]],"feos.Pore1D":[[140,null]],"feos.Pore1D.__init__":[[141,null]],"feos.Pore1D.initialize":[[142,null]],"feos.Pore2D":[[143,null]],"feos.Pore2D.__init__":[[144,null]],"feos.Pore2D.initialize":[[145,null]],"feos.Pore3D":[[146,null]],"feos.Pore3D.__init__":[[147,null]],"feos.Pore3D.initialize":[[148,null]],"feos.PureRecord":[[149,null]],"feos.PureRecord.__init__":[[150,null]],"feos.PureRecord.from_json":[[151,null]],"feos.PureRecord.from_json_str":[[152,null]],"feos.PureRecord.to_dict":[[153,null]],"feos.PureRecord.to_json_str":[[154,null]],"feos.SegmentRecord":[[155,null]],"feos.SegmentRecord.__init__":[[156,null]],"feos.SegmentRecord.from_json":[[157,null]],"feos.SegmentRecord.from_json_str":[[158,null]],"feos.SegmentRecord.to_dict":[[159,null]],"feos.SegmentRecord.to_json_str":[[160,null]],"feos.SmartsRecord":[[161,null]],"feos.SmartsRecord.__init__":[[162,null]],"feos.SmartsRecord.from_json":[[163,null]],"feos.SmartsRecord.from_json_str":[[164,null]],"feos.SmartsRecord.to_json_str":[[165,null]],"feos.SolvationProfile":[[166,null]],"feos.SolvationProfile.__init__":[[167,null]],"feos.SolvationProfile.entropy":[[168,null]],"feos.SolvationProfile.entropy_density":[[169,null]],"feos.SolvationProfile.internal_energy":[[170,null]],"feos.SolvationProfile.residual":[[171,null]],"feos.SolvationProfile.solve":[[172,null]],"feos.State":[[173,null]],"feos.State.__init__":[[174,null]],"feos.State.chemical_potential":[[175,null]],"feos.State.chemical_potential_contributions":[[176,null]],"feos.State.compressibility":[[177,null]],"feos.State.critical_point":[[178,null]],"feos.State.critical_point_binary":[[179,null]],"feos.State.critical_point_pure":[[180,null]],"feos.State.d2p_drho2":[[181,null]],"feos.State.d2p_dv2":[[182,null]],"feos.State.dc_v_dt":[[183,null]],"feos.State.diffusion":[[184,null]],"feos.State.diffusion_reference":[[185,null]],"feos.State.dln_phi_dnj":[[186,null]],"feos.State.dln_phi_dp":[[187,null]],"feos.State.dln_phi_dt":[[188,null]],"feos.State.dmu_dni":[[189,null]],"feos.State.dmu_dt":[[190,null]],"feos.State.dp_dni":[[191,null]],"feos.State.dp_drho":[[192,null]],"feos.State.dp_dt":[[193,null]],"feos.State.dp_dv":[[194,null]],"feos.State.ds_dt":[[195,null]],"feos.State.enthalpy":[[196,null]],"feos.State.entropy":[[197,null]],"feos.State.gibbs_energy":[[198,null]],"feos.State.grueneisen_parameter":[[199,null]],"feos.State.helmholtz_energy":[[200,null]],"feos.State.henrys_law_constant":[[201,null]],"feos.State.henrys_law_constant_binary":[[202,null]],"feos.State.internal_energy":[[203,null]],"feos.State.is_stable":[[204,null]],"feos.State.isenthalpic_compressibility":[[205,null]],"feos.State.isentropic_compressibility":[[206,null]],"feos.State.isothermal_compressibility":[[207,null]],"feos.State.joule_thomson":[[208,null]],"feos.State.ln_diffusion_reduced":[[209,null]],"feos.State.ln_phi":[[210,null]],"feos.State.ln_phi_pure_liquid":[[211,null]],"feos.State.ln_symmetric_activity_coefficient":[[212,null]],"feos.State.ln_thermal_conductivity_reduced":[[213,null]],"feos.State.ln_viscosity_reduced":[[214,null]],"feos.State.mass":[[215,null]],"feos.State.mass_density":[[216,null]],"feos.State.massfracs":[[217,null]],"feos.State.molar_enthalpy":[[218,null]],"feos.State.molar_entropy":[[219,null]],"feos.State.molar_gibbs_energy":[[220,null]],"feos.State.molar_helmholtz_energy":[[221,null]],"feos.State.molar_internal_energy":[[222,null]],"feos.State.molar_isobaric_heat_capacity":[[223,null]],"feos.State.molar_isochoric_heat_capacity":[[224,null]],"feos.State.partial_molar_enthalpy":[[225,null]],"feos.State.partial_molar_entropy":[[226,null]],"feos.State.partial_molar_volume":[[227,null]],"feos.State.pressure":[[228,null]],"feos.State.pressure_contributions":[[229,null]],"feos.State.residual_molar_helmholtz_energy_contributions":[[230,null]],"feos.State.specific_enthalpy":[[231,null]],"feos.State.specific_entropy":[[232,null]],"feos.State.specific_gibbs_energy":[[233,null]],"feos.State.specific_helmholtz_energy":[[234,null]],"feos.State.specific_internal_energy":[[235,null]],"feos.State.specific_isobaric_heat_capacity":[[236,null]],"feos.State.specific_isochoric_heat_capacity":[[237,null]],"feos.State.speed_of_sound":[[238,null]],"feos.State.spinodal":[[239,null]],"feos.State.stability_analysis":[[240,null]],"feos.State.structure_factor":[[241,null]],"feos.State.thermal_conductivity":[[242,null]],"feos.State.thermal_conductivity_reference":[[243,null]],"feos.State.thermal_expansivity":[[244,null]],"feos.State.thermodynamic_factor":[[245,null]],"feos.State.total_mass":[[246,null]],"feos.State.total_molar_weight":[[247,null]],"feos.State.tp_flash":[[248,null]],"feos.State.viscosity":[[249,null]],"feos.State.viscosity_reference":[[250,null]],"feos.StateVec":[[251,null]],"feos.StateVec.__init__":[[252,null]],"feos.StateVec.molar_enthalpy":[[253,null]],"feos.StateVec.molar_entropy":[[254,null]],"feos.StateVec.specific_enthalpy":[[255,null]],"feos.StateVec.specific_entropy":[[256,null]],"feos.StateVec.to_dict":[[257,null]],"feos.SurfaceTensionDiagram":[[258,null]],"feos.SurfaceTensionDiagram.__init__":[[259,null]],"feos.Verbosity":[[260,null]],"feos.Verbosity.__init__":[[261,null]],"feos.bubble_point_pressure_derivatives":[[262,null]],"feos.dew_point_pressure_derivatives":[[263,null]],"feos.equilibrium_liquid_density_derivatives":[[264,null]],"feos.liquid_density_derivatives":[[265,null]],"feos.vapor_pressure_derivatives":[[266,null]]},"docnames":["api/ad","api/dft","api/eos","api/generated/feos.Adsorption1D","api/generated/feos.Adsorption1D.__init__","api/generated/feos.Adsorption1D.adsorption_isotherm","api/generated/feos.Adsorption1D.desorption_isotherm","api/generated/feos.Adsorption1D.equilibrium_isotherm","api/generated/feos.Adsorption1D.phase_equilibrium","api/generated/feos.Adsorption3D","api/generated/feos.Adsorption3D.__init__","api/generated/feos.Adsorption3D.adsorption_isotherm","api/generated/feos.Adsorption3D.desorption_isotherm","api/generated/feos.Adsorption3D.equilibrium_isotherm","api/generated/feos.Adsorption3D.phase_equilibrium","api/generated/feos.BinaryRecord","api/generated/feos.BinaryRecord.__init__","api/generated/feos.BinaryRecord.from_json_str","api/generated/feos.BinaryRecord.to_dict","api/generated/feos.BinaryRecord.to_json_str","api/generated/feos.BinarySegmentRecord","api/generated/feos.BinarySegmentRecord.__init__","api/generated/feos.BinarySegmentRecord.from_json_str","api/generated/feos.BinarySegmentRecord.to_dict","api/generated/feos.BinarySegmentRecord.to_json_str","api/generated/feos.ChemicalRecord","api/generated/feos.ChemicalRecord.__init__","api/generated/feos.ChemicalRecord.from_json","api/generated/feos.ChemicalRecord.from_json_str","api/generated/feos.ChemicalRecord.from_smiles","api/generated/feos.ChemicalRecord.to_json_str","api/generated/feos.Contributions","api/generated/feos.Contributions.__init__","api/generated/feos.DFTSolver","api/generated/feos.DFTSolver.__init__","api/generated/feos.DFTSolver.anderson_mixing","api/generated/feos.DFTSolver.newton","api/generated/feos.DFTSolver.picard_iteration","api/generated/feos.EquationOfState","api/generated/feos.EquationOfState.__init__","api/generated/feos.EquationOfState.dippr","api/generated/feos.EquationOfState.epcsaft","api/generated/feos.EquationOfState.gc_pcsaft","api/generated/feos.EquationOfState.ideal_gas","api/generated/feos.EquationOfState.joback","api/generated/feos.EquationOfState.max_density","api/generated/feos.EquationOfState.multiparameter","api/generated/feos.EquationOfState.multiparameter_ideal_gas","api/generated/feos.EquationOfState.pcsaft","api/generated/feos.EquationOfState.peng_robinson","api/generated/feos.EquationOfState.pets","api/generated/feos.EquationOfState.python_ideal_gas","api/generated/feos.EquationOfState.python_residual","api/generated/feos.EquationOfState.saftvrmie","api/generated/feos.EquationOfState.saftvrqmie","api/generated/feos.EquationOfState.second_virial_coefficient","api/generated/feos.EquationOfState.second_virial_coefficient_temperature_derivative","api/generated/feos.EquationOfState.third_virial_coefficient","api/generated/feos.EquationOfState.third_virial_coefficient_temperature_derivative","api/generated/feos.EquationOfState.uvtheory","api/generated/feos.ExternalPotential","api/generated/feos.ExternalPotential.CustomLJ93","api/generated/feos.ExternalPotential.CustomSteele","api/generated/feos.ExternalPotential.DoubleWell","api/generated/feos.ExternalPotential.FreeEnergyAveraged","api/generated/feos.ExternalPotential.HardWall","api/generated/feos.ExternalPotential.LJ93","api/generated/feos.ExternalPotential.SimpleLJ93","api/generated/feos.ExternalPotential.Steele","api/generated/feos.ExternalPotential.__init__","api/generated/feos.FMTVersion","api/generated/feos.FMTVersion.__init__","api/generated/feos.GcParameters","api/generated/feos.GcParameters.__init__","api/generated/feos.GcParameters.from_json_segments","api/generated/feos.GcParameters.from_json_smiles","api/generated/feos.GcParameters.from_segments","api/generated/feos.GcParameters.from_smiles","api/generated/feos.Geometry","api/generated/feos.Geometry.__init__","api/generated/feos.HelmholtzEnergyFunctional","api/generated/feos.HelmholtzEnergyFunctional.__init__","api/generated/feos.HelmholtzEnergyFunctional.fmt","api/generated/feos.HelmholtzEnergyFunctional.gc_pcsaft","api/generated/feos.HelmholtzEnergyFunctional.pcsaft","api/generated/feos.HelmholtzEnergyFunctional.pets","api/generated/feos.HelmholtzEnergyFunctional.saftvrqmie","api/generated/feos.Identifier","api/generated/feos.Identifier.__init__","api/generated/feos.IdentifierOption","api/generated/feos.IdentifierOption.__init__","api/generated/feos.PairCorrelation","api/generated/feos.PairCorrelation.__init__","api/generated/feos.PairCorrelation.entropy","api/generated/feos.PairCorrelation.entropy_density","api/generated/feos.PairCorrelation.internal_energy","api/generated/feos.PairCorrelation.residual","api/generated/feos.PairCorrelation.solve","api/generated/feos.Parameters","api/generated/feos.Parameters.__init__","api/generated/feos.Parameters.from_json","api/generated/feos.Parameters.from_multiple_json","api/generated/feos.Parameters.from_records","api/generated/feos.Parameters.new_binary","api/generated/feos.Parameters.new_pure","api/generated/feos.Parameters.to_json_str","api/generated/feos.PhaseDiagram","api/generated/feos.PhaseDiagram.__init__","api/generated/feos.PhaseDiagram.binary_vle","api/generated/feos.PhaseDiagram.binary_vlle","api/generated/feos.PhaseDiagram.bubble_point_line","api/generated/feos.PhaseDiagram.dew_point_line","api/generated/feos.PhaseDiagram.lle","api/generated/feos.PhaseDiagram.par_pure","api/generated/feos.PhaseDiagram.pure","api/generated/feos.PhaseDiagram.spinodal","api/generated/feos.PhaseDiagram.to_dict","api/generated/feos.PhaseEquilibrium","api/generated/feos.PhaseEquilibrium.__init__","api/generated/feos.PhaseEquilibrium.boiling_temperature","api/generated/feos.PhaseEquilibrium.bubble_point","api/generated/feos.PhaseEquilibrium.dew_point","api/generated/feos.PhaseEquilibrium.heteroazeotrope","api/generated/feos.PhaseEquilibrium.pure","api/generated/feos.PhaseEquilibrium.tp_flash","api/generated/feos.PhaseEquilibrium.vapor_pressure","api/generated/feos.PhaseEquilibrium.vle_pure_comps","api/generated/feos.PlanarInterface","api/generated/feos.PlanarInterface.__init__","api/generated/feos.PlanarInterface.entropy","api/generated/feos.PlanarInterface.entropy_density","api/generated/feos.PlanarInterface.from_density_profile","api/generated/feos.PlanarInterface.from_pdgt","api/generated/feos.PlanarInterface.from_tanh","api/generated/feos.PlanarInterface.interfacial_enrichment","api/generated/feos.PlanarInterface.interfacial_thickness","api/generated/feos.PlanarInterface.internal_energy","api/generated/feos.PlanarInterface.relative_adsorption","api/generated/feos.PlanarInterface.residual","api/generated/feos.PlanarInterface.solve","api/generated/feos.Pore1D","api/generated/feos.Pore1D.__init__","api/generated/feos.Pore1D.initialize","api/generated/feos.Pore2D","api/generated/feos.Pore2D.__init__","api/generated/feos.Pore2D.initialize","api/generated/feos.Pore3D","api/generated/feos.Pore3D.__init__","api/generated/feos.Pore3D.initialize","api/generated/feos.PureRecord","api/generated/feos.PureRecord.__init__","api/generated/feos.PureRecord.from_json","api/generated/feos.PureRecord.from_json_str","api/generated/feos.PureRecord.to_dict","api/generated/feos.PureRecord.to_json_str","api/generated/feos.SegmentRecord","api/generated/feos.SegmentRecord.__init__","api/generated/feos.SegmentRecord.from_json","api/generated/feos.SegmentRecord.from_json_str","api/generated/feos.SegmentRecord.to_dict","api/generated/feos.SegmentRecord.to_json_str","api/generated/feos.SmartsRecord","api/generated/feos.SmartsRecord.__init__","api/generated/feos.SmartsRecord.from_json","api/generated/feos.SmartsRecord.from_json_str","api/generated/feos.SmartsRecord.to_json_str","api/generated/feos.SolvationProfile","api/generated/feos.SolvationProfile.__init__","api/generated/feos.SolvationProfile.entropy","api/generated/feos.SolvationProfile.entropy_density","api/generated/feos.SolvationProfile.internal_energy","api/generated/feos.SolvationProfile.residual","api/generated/feos.SolvationProfile.solve","api/generated/feos.State","api/generated/feos.State.__init__","api/generated/feos.State.chemical_potential","api/generated/feos.State.chemical_potential_contributions","api/generated/feos.State.compressibility","api/generated/feos.State.critical_point","api/generated/feos.State.critical_point_binary","api/generated/feos.State.critical_point_pure","api/generated/feos.State.d2p_drho2","api/generated/feos.State.d2p_dv2","api/generated/feos.State.dc_v_dt","api/generated/feos.State.diffusion","api/generated/feos.State.diffusion_reference","api/generated/feos.State.dln_phi_dnj","api/generated/feos.State.dln_phi_dp","api/generated/feos.State.dln_phi_dt","api/generated/feos.State.dmu_dni","api/generated/feos.State.dmu_dt","api/generated/feos.State.dp_dni","api/generated/feos.State.dp_drho","api/generated/feos.State.dp_dt","api/generated/feos.State.dp_dv","api/generated/feos.State.ds_dt","api/generated/feos.State.enthalpy","api/generated/feos.State.entropy","api/generated/feos.State.gibbs_energy","api/generated/feos.State.grueneisen_parameter","api/generated/feos.State.helmholtz_energy","api/generated/feos.State.henrys_law_constant","api/generated/feos.State.henrys_law_constant_binary","api/generated/feos.State.internal_energy","api/generated/feos.State.is_stable","api/generated/feos.State.isenthalpic_compressibility","api/generated/feos.State.isentropic_compressibility","api/generated/feos.State.isothermal_compressibility","api/generated/feos.State.joule_thomson","api/generated/feos.State.ln_diffusion_reduced","api/generated/feos.State.ln_phi","api/generated/feos.State.ln_phi_pure_liquid","api/generated/feos.State.ln_symmetric_activity_coefficient","api/generated/feos.State.ln_thermal_conductivity_reduced","api/generated/feos.State.ln_viscosity_reduced","api/generated/feos.State.mass","api/generated/feos.State.mass_density","api/generated/feos.State.massfracs","api/generated/feos.State.molar_enthalpy","api/generated/feos.State.molar_entropy","api/generated/feos.State.molar_gibbs_energy","api/generated/feos.State.molar_helmholtz_energy","api/generated/feos.State.molar_internal_energy","api/generated/feos.State.molar_isobaric_heat_capacity","api/generated/feos.State.molar_isochoric_heat_capacity","api/generated/feos.State.partial_molar_enthalpy","api/generated/feos.State.partial_molar_entropy","api/generated/feos.State.partial_molar_volume","api/generated/feos.State.pressure","api/generated/feos.State.pressure_contributions","api/generated/feos.State.residual_molar_helmholtz_energy_contributions","api/generated/feos.State.specific_enthalpy","api/generated/feos.State.specific_entropy","api/generated/feos.State.specific_gibbs_energy","api/generated/feos.State.specific_helmholtz_energy","api/generated/feos.State.specific_internal_energy","api/generated/feos.State.specific_isobaric_heat_capacity","api/generated/feos.State.specific_isochoric_heat_capacity","api/generated/feos.State.speed_of_sound","api/generated/feos.State.spinodal","api/generated/feos.State.stability_analysis","api/generated/feos.State.structure_factor","api/generated/feos.State.thermal_conductivity","api/generated/feos.State.thermal_conductivity_reference","api/generated/feos.State.thermal_expansivity","api/generated/feos.State.thermodynamic_factor","api/generated/feos.State.total_mass","api/generated/feos.State.total_molar_weight","api/generated/feos.State.tp_flash","api/generated/feos.State.viscosity","api/generated/feos.State.viscosity_reference","api/generated/feos.StateVec","api/generated/feos.StateVec.__init__","api/generated/feos.StateVec.molar_enthalpy","api/generated/feos.StateVec.molar_entropy","api/generated/feos.StateVec.specific_enthalpy","api/generated/feos.StateVec.specific_entropy","api/generated/feos.StateVec.to_dict","api/generated/feos.SurfaceTensionDiagram","api/generated/feos.SurfaceTensionDiagram.__init__","api/generated/feos.Verbosity","api/generated/feos.Verbosity.__init__","api/generated/feos.bubble_point_pressure_derivatives","api/generated/feos.dew_point_pressure_derivatives","api/generated/feos.equilibrium_liquid_density_derivatives","api/generated/feos.liquid_density_derivatives","api/generated/feos.vapor_pressure_derivatives","api/index","api/parameters","help_and_feedback","index","installation","recipes/index","recipes/recipes_automatic_differentiation","recipes/recipes_contact_angle","recipes/recipes_critical_point_pure","recipes/recipes_p_sat_t_boil","recipes/recipes_phase_diagram_pure","recipes/recipes_phase_equilibrium_pure","recipes/recipes_surface_tension_diagram_pure","recipes/recipes_surface_tension_pure","rust_api","rustguide/core/equation_of_state","rustguide/core/index","rustguide/core/state","rustguide/index","theory/dft/derivatives","theory/dft/enthalpy_of_adsorption","theory/dft/euler_lagrange_equation","theory/dft/functional_derivatives","theory/dft/ideal_gas","theory/dft/index","theory/dft/pdgt","theory/dft/solver","theory/eos/critical_points","theory/eos/index","theory/eos/properties","theory/models/association","theory/models/hard_spheres","theory/models/index","tutorials/dft/index","tutorials/dft/pcsaft_surface_tension","tutorials/eos/core_user_defined_eos","tutorials/eos/index","tutorials/eos/pcsaft_entropy_scaling","tutorials/eos/pcsaft_phase_diagram","tutorials/eos/pcsaft_working_with_parameters","tutorials/index","tutorials/utility/core_dual_numbers","tutorials/utility/core_working_with_units","tutorials/utility/index"],"envversion":{"nbsphinx":4,"sphinx":66,"sphinx.domains.c":3,"sphinx.domains.changeset":1,"sphinx.domains.citation":1,"sphinx.domains.cpp":9,"sphinx.domains.index":1,"sphinx.domains.javascript":3,"sphinx.domains.math":2,"sphinx.domains.python":4,"sphinx.domains.rst":2,"sphinx.domains.std":2},"filenames":["api/ad.md","api/dft.md","api/eos.md","api/generated/feos.Adsorption1D.rst","api/generated/feos.Adsorption1D.__init__.rst","api/generated/feos.Adsorption1D.adsorption_isotherm.rst","api/generated/feos.Adsorption1D.desorption_isotherm.rst","api/generated/feos.Adsorption1D.equilibrium_isotherm.rst","api/generated/feos.Adsorption1D.phase_equilibrium.rst","api/generated/feos.Adsorption3D.rst","api/generated/feos.Adsorption3D.__init__.rst","api/generated/feos.Adsorption3D.adsorption_isotherm.rst","api/generated/feos.Adsorption3D.desorption_isotherm.rst","api/generated/feos.Adsorption3D.equilibrium_isotherm.rst","api/generated/feos.Adsorption3D.phase_equilibrium.rst","api/generated/feos.BinaryRecord.rst","api/generated/feos.BinaryRecord.__init__.rst","api/generated/feos.BinaryRecord.from_json_str.rst","api/generated/feos.BinaryRecord.to_dict.rst","api/generated/feos.BinaryRecord.to_json_str.rst","api/generated/feos.BinarySegmentRecord.rst","api/generated/feos.BinarySegmentRecord.__init__.rst","api/generated/feos.BinarySegmentRecord.from_json_str.rst","api/generated/feos.BinarySegmentRecord.to_dict.rst","api/generated/feos.BinarySegmentRecord.to_json_str.rst","api/generated/feos.ChemicalRecord.rst","api/generated/feos.ChemicalRecord.__init__.rst","api/generated/feos.ChemicalRecord.from_json.rst","api/generated/feos.ChemicalRecord.from_json_str.rst","api/generated/feos.ChemicalRecord.from_smiles.rst","api/generated/feos.ChemicalRecord.to_json_str.rst","api/generated/feos.Contributions.rst","api/generated/feos.Contributions.__init__.rst","api/generated/feos.DFTSolver.rst","api/generated/feos.DFTSolver.__init__.rst","api/generated/feos.DFTSolver.anderson_mixing.rst","api/generated/feos.DFTSolver.newton.rst","api/generated/feos.DFTSolver.picard_iteration.rst","api/generated/feos.EquationOfState.rst","api/generated/feos.EquationOfState.__init__.rst","api/generated/feos.EquationOfState.dippr.rst","api/generated/feos.EquationOfState.epcsaft.rst","api/generated/feos.EquationOfState.gc_pcsaft.rst","api/generated/feos.EquationOfState.ideal_gas.rst","api/generated/feos.EquationOfState.joback.rst","api/generated/feos.EquationOfState.max_density.rst","api/generated/feos.EquationOfState.multiparameter.rst","api/generated/feos.EquationOfState.multiparameter_ideal_gas.rst","api/generated/feos.EquationOfState.pcsaft.rst","api/generated/feos.EquationOfState.peng_robinson.rst","api/generated/feos.EquationOfState.pets.rst","api/generated/feos.EquationOfState.python_ideal_gas.rst","api/generated/feos.EquationOfState.python_residual.rst","api/generated/feos.EquationOfState.saftvrmie.rst","api/generated/feos.EquationOfState.saftvrqmie.rst","api/generated/feos.EquationOfState.second_virial_coefficient.rst","api/generated/feos.EquationOfState.second_virial_coefficient_temperature_derivative.rst","api/generated/feos.EquationOfState.third_virial_coefficient.rst","api/generated/feos.EquationOfState.third_virial_coefficient_temperature_derivative.rst","api/generated/feos.EquationOfState.uvtheory.rst","api/generated/feos.ExternalPotential.rst","api/generated/feos.ExternalPotential.CustomLJ93.rst","api/generated/feos.ExternalPotential.CustomSteele.rst","api/generated/feos.ExternalPotential.DoubleWell.rst","api/generated/feos.ExternalPotential.FreeEnergyAveraged.rst","api/generated/feos.ExternalPotential.HardWall.rst","api/generated/feos.ExternalPotential.LJ93.rst","api/generated/feos.ExternalPotential.SimpleLJ93.rst","api/generated/feos.ExternalPotential.Steele.rst","api/generated/feos.ExternalPotential.__init__.rst","api/generated/feos.FMTVersion.rst","api/generated/feos.FMTVersion.__init__.rst","api/generated/feos.GcParameters.rst","api/generated/feos.GcParameters.__init__.rst","api/generated/feos.GcParameters.from_json_segments.rst","api/generated/feos.GcParameters.from_json_smiles.rst","api/generated/feos.GcParameters.from_segments.rst","api/generated/feos.GcParameters.from_smiles.rst","api/generated/feos.Geometry.rst","api/generated/feos.Geometry.__init__.rst","api/generated/feos.HelmholtzEnergyFunctional.rst","api/generated/feos.HelmholtzEnergyFunctional.__init__.rst","api/generated/feos.HelmholtzEnergyFunctional.fmt.rst","api/generated/feos.HelmholtzEnergyFunctional.gc_pcsaft.rst","api/generated/feos.HelmholtzEnergyFunctional.pcsaft.rst","api/generated/feos.HelmholtzEnergyFunctional.pets.rst","api/generated/feos.HelmholtzEnergyFunctional.saftvrqmie.rst","api/generated/feos.Identifier.rst","api/generated/feos.Identifier.__init__.rst","api/generated/feos.IdentifierOption.rst","api/generated/feos.IdentifierOption.__init__.rst","api/generated/feos.PairCorrelation.rst","api/generated/feos.PairCorrelation.__init__.rst","api/generated/feos.PairCorrelation.entropy.rst","api/generated/feos.PairCorrelation.entropy_density.rst","api/generated/feos.PairCorrelation.internal_energy.rst","api/generated/feos.PairCorrelation.residual.rst","api/generated/feos.PairCorrelation.solve.rst","api/generated/feos.Parameters.rst","api/generated/feos.Parameters.__init__.rst","api/generated/feos.Parameters.from_json.rst","api/generated/feos.Parameters.from_multiple_json.rst","api/generated/feos.Parameters.from_records.rst","api/generated/feos.Parameters.new_binary.rst","api/generated/feos.Parameters.new_pure.rst","api/generated/feos.Parameters.to_json_str.rst","api/generated/feos.PhaseDiagram.rst","api/generated/feos.PhaseDiagram.__init__.rst","api/generated/feos.PhaseDiagram.binary_vle.rst","api/generated/feos.PhaseDiagram.binary_vlle.rst","api/generated/feos.PhaseDiagram.bubble_point_line.rst","api/generated/feos.PhaseDiagram.dew_point_line.rst","api/generated/feos.PhaseDiagram.lle.rst","api/generated/feos.PhaseDiagram.par_pure.rst","api/generated/feos.PhaseDiagram.pure.rst","api/generated/feos.PhaseDiagram.spinodal.rst","api/generated/feos.PhaseDiagram.to_dict.rst","api/generated/feos.PhaseEquilibrium.rst","api/generated/feos.PhaseEquilibrium.__init__.rst","api/generated/feos.PhaseEquilibrium.boiling_temperature.rst","api/generated/feos.PhaseEquilibrium.bubble_point.rst","api/generated/feos.PhaseEquilibrium.dew_point.rst","api/generated/feos.PhaseEquilibrium.heteroazeotrope.rst","api/generated/feos.PhaseEquilibrium.pure.rst","api/generated/feos.PhaseEquilibrium.tp_flash.rst","api/generated/feos.PhaseEquilibrium.vapor_pressure.rst","api/generated/feos.PhaseEquilibrium.vle_pure_comps.rst","api/generated/feos.PlanarInterface.rst","api/generated/feos.PlanarInterface.__init__.rst","api/generated/feos.PlanarInterface.entropy.rst","api/generated/feos.PlanarInterface.entropy_density.rst","api/generated/feos.PlanarInterface.from_density_profile.rst","api/generated/feos.PlanarInterface.from_pdgt.rst","api/generated/feos.PlanarInterface.from_tanh.rst","api/generated/feos.PlanarInterface.interfacial_enrichment.rst","api/generated/feos.PlanarInterface.interfacial_thickness.rst","api/generated/feos.PlanarInterface.internal_energy.rst","api/generated/feos.PlanarInterface.relative_adsorption.rst","api/generated/feos.PlanarInterface.residual.rst","api/generated/feos.PlanarInterface.solve.rst","api/generated/feos.Pore1D.rst","api/generated/feos.Pore1D.__init__.rst","api/generated/feos.Pore1D.initialize.rst","api/generated/feos.Pore2D.rst","api/generated/feos.Pore2D.__init__.rst","api/generated/feos.Pore2D.initialize.rst","api/generated/feos.Pore3D.rst","api/generated/feos.Pore3D.__init__.rst","api/generated/feos.Pore3D.initialize.rst","api/generated/feos.PureRecord.rst","api/generated/feos.PureRecord.__init__.rst","api/generated/feos.PureRecord.from_json.rst","api/generated/feos.PureRecord.from_json_str.rst","api/generated/feos.PureRecord.to_dict.rst","api/generated/feos.PureRecord.to_json_str.rst","api/generated/feos.SegmentRecord.rst","api/generated/feos.SegmentRecord.__init__.rst","api/generated/feos.SegmentRecord.from_json.rst","api/generated/feos.SegmentRecord.from_json_str.rst","api/generated/feos.SegmentRecord.to_dict.rst","api/generated/feos.SegmentRecord.to_json_str.rst","api/generated/feos.SmartsRecord.rst","api/generated/feos.SmartsRecord.__init__.rst","api/generated/feos.SmartsRecord.from_json.rst","api/generated/feos.SmartsRecord.from_json_str.rst","api/generated/feos.SmartsRecord.to_json_str.rst","api/generated/feos.SolvationProfile.rst","api/generated/feos.SolvationProfile.__init__.rst","api/generated/feos.SolvationProfile.entropy.rst","api/generated/feos.SolvationProfile.entropy_density.rst","api/generated/feos.SolvationProfile.internal_energy.rst","api/generated/feos.SolvationProfile.residual.rst","api/generated/feos.SolvationProfile.solve.rst","api/generated/feos.State.rst","api/generated/feos.State.__init__.rst","api/generated/feos.State.chemical_potential.rst","api/generated/feos.State.chemical_potential_contributions.rst","api/generated/feos.State.compressibility.rst","api/generated/feos.State.critical_point.rst","api/generated/feos.State.critical_point_binary.rst","api/generated/feos.State.critical_point_pure.rst","api/generated/feos.State.d2p_drho2.rst","api/generated/feos.State.d2p_dv2.rst","api/generated/feos.State.dc_v_dt.rst","api/generated/feos.State.diffusion.rst","api/generated/feos.State.diffusion_reference.rst","api/generated/feos.State.dln_phi_dnj.rst","api/generated/feos.State.dln_phi_dp.rst","api/generated/feos.State.dln_phi_dt.rst","api/generated/feos.State.dmu_dni.rst","api/generated/feos.State.dmu_dt.rst","api/generated/feos.State.dp_dni.rst","api/generated/feos.State.dp_drho.rst","api/generated/feos.State.dp_dt.rst","api/generated/feos.State.dp_dv.rst","api/generated/feos.State.ds_dt.rst","api/generated/feos.State.enthalpy.rst","api/generated/feos.State.entropy.rst","api/generated/feos.State.gibbs_energy.rst","api/generated/feos.State.grueneisen_parameter.rst","api/generated/feos.State.helmholtz_energy.rst","api/generated/feos.State.henrys_law_constant.rst","api/generated/feos.State.henrys_law_constant_binary.rst","api/generated/feos.State.internal_energy.rst","api/generated/feos.State.is_stable.rst","api/generated/feos.State.isenthalpic_compressibility.rst","api/generated/feos.State.isentropic_compressibility.rst","api/generated/feos.State.isothermal_compressibility.rst","api/generated/feos.State.joule_thomson.rst","api/generated/feos.State.ln_diffusion_reduced.rst","api/generated/feos.State.ln_phi.rst","api/generated/feos.State.ln_phi_pure_liquid.rst","api/generated/feos.State.ln_symmetric_activity_coefficient.rst","api/generated/feos.State.ln_thermal_conductivity_reduced.rst","api/generated/feos.State.ln_viscosity_reduced.rst","api/generated/feos.State.mass.rst","api/generated/feos.State.mass_density.rst","api/generated/feos.State.massfracs.rst","api/generated/feos.State.molar_enthalpy.rst","api/generated/feos.State.molar_entropy.rst","api/generated/feos.State.molar_gibbs_energy.rst","api/generated/feos.State.molar_helmholtz_energy.rst","api/generated/feos.State.molar_internal_energy.rst","api/generated/feos.State.molar_isobaric_heat_capacity.rst","api/generated/feos.State.molar_isochoric_heat_capacity.rst","api/generated/feos.State.partial_molar_enthalpy.rst","api/generated/feos.State.partial_molar_entropy.rst","api/generated/feos.State.partial_molar_volume.rst","api/generated/feos.State.pressure.rst","api/generated/feos.State.pressure_contributions.rst","api/generated/feos.State.residual_molar_helmholtz_energy_contributions.rst","api/generated/feos.State.specific_enthalpy.rst","api/generated/feos.State.specific_entropy.rst","api/generated/feos.State.specific_gibbs_energy.rst","api/generated/feos.State.specific_helmholtz_energy.rst","api/generated/feos.State.specific_internal_energy.rst","api/generated/feos.State.specific_isobaric_heat_capacity.rst","api/generated/feos.State.specific_isochoric_heat_capacity.rst","api/generated/feos.State.speed_of_sound.rst","api/generated/feos.State.spinodal.rst","api/generated/feos.State.stability_analysis.rst","api/generated/feos.State.structure_factor.rst","api/generated/feos.State.thermal_conductivity.rst","api/generated/feos.State.thermal_conductivity_reference.rst","api/generated/feos.State.thermal_expansivity.rst","api/generated/feos.State.thermodynamic_factor.rst","api/generated/feos.State.total_mass.rst","api/generated/feos.State.total_molar_weight.rst","api/generated/feos.State.tp_flash.rst","api/generated/feos.State.viscosity.rst","api/generated/feos.State.viscosity_reference.rst","api/generated/feos.StateVec.rst","api/generated/feos.StateVec.__init__.rst","api/generated/feos.StateVec.molar_enthalpy.rst","api/generated/feos.StateVec.molar_entropy.rst","api/generated/feos.StateVec.specific_enthalpy.rst","api/generated/feos.StateVec.specific_entropy.rst","api/generated/feos.StateVec.to_dict.rst","api/generated/feos.SurfaceTensionDiagram.rst","api/generated/feos.SurfaceTensionDiagram.__init__.rst","api/generated/feos.Verbosity.rst","api/generated/feos.Verbosity.__init__.rst","api/generated/feos.bubble_point_pressure_derivatives.rst","api/generated/feos.dew_point_pressure_derivatives.rst","api/generated/feos.equilibrium_liquid_density_derivatives.rst","api/generated/feos.liquid_density_derivatives.rst","api/generated/feos.vapor_pressure_derivatives.rst","api/index.md","api/parameters.md","help_and_feedback.md","index.md","installation.md","recipes/index.md","recipes/recipes_automatic_differentiation.ipynb","recipes/recipes_contact_angle.ipynb","recipes/recipes_critical_point_pure.ipynb","recipes/recipes_p_sat_t_boil.ipynb","recipes/recipes_phase_diagram_pure.ipynb","recipes/recipes_phase_equilibrium_pure.ipynb","recipes/recipes_surface_tension_diagram_pure.ipynb","recipes/recipes_surface_tension_pure.ipynb","rust_api.md","rustguide/core/equation_of_state.rst","rustguide/core/index.md","rustguide/core/state.rst","rustguide/index.md","theory/dft/derivatives.md","theory/dft/enthalpy_of_adsorption.md","theory/dft/euler_lagrange_equation.md","theory/dft/functional_derivatives.md","theory/dft/ideal_gas.md","theory/dft/index.md","theory/dft/pdgt.md","theory/dft/solver.md","theory/eos/critical_points.md","theory/eos/index.md","theory/eos/properties.md","theory/models/association.md","theory/models/hard_spheres.md","theory/models/index.md","tutorials/dft/index.md","tutorials/dft/pcsaft_surface_tension.ipynb","tutorials/eos/core_user_defined_eos.ipynb","tutorials/eos/index.md","tutorials/eos/pcsaft_entropy_scaling.ipynb","tutorials/eos/pcsaft_phase_diagram.ipynb","tutorials/eos/pcsaft_working_with_parameters.ipynb","tutorials/index.md","tutorials/utility/core_dual_numbers.ipynb","tutorials/utility/core_working_with_units.ipynb","tutorials/utility/index.md"],"indexentries":{"__init__() (feos.adsorption1d method)":[[4,"feos.Adsorption1D.__init__",false]],"__init__() (feos.adsorption3d method)":[[10,"feos.Adsorption3D.__init__",false]],"__init__() (feos.binaryrecord method)":[[16,"feos.BinaryRecord.__init__",false]],"__init__() (feos.binarysegmentrecord method)":[[21,"feos.BinarySegmentRecord.__init__",false]],"__init__() (feos.chemicalrecord method)":[[26,"feos.ChemicalRecord.__init__",false]],"__init__() (feos.contributions method)":[[32,"feos.Contributions.__init__",false]],"__init__() (feos.dftsolver method)":[[34,"feos.DFTSolver.__init__",false]],"__init__() (feos.equationofstate method)":[[39,"feos.EquationOfState.__init__",false]],"__init__() (feos.externalpotential method)":[[69,"feos.ExternalPotential.__init__",false]],"__init__() (feos.fmtversion method)":[[71,"feos.FMTVersion.__init__",false]],"__init__() (feos.gcparameters method)":[[73,"feos.GcParameters.__init__",false]],"__init__() (feos.geometry method)":[[79,"feos.Geometry.__init__",false]],"__init__() (feos.helmholtzenergyfunctional method)":[[81,"feos.HelmholtzEnergyFunctional.__init__",false]],"__init__() (feos.identifier method)":[[88,"feos.Identifier.__init__",false]],"__init__() (feos.identifieroption method)":[[90,"feos.IdentifierOption.__init__",false]],"__init__() (feos.paircorrelation method)":[[92,"feos.PairCorrelation.__init__",false]],"__init__() (feos.parameters method)":[[99,"feos.Parameters.__init__",false]],"__init__() (feos.phasediagram method)":[[107,"feos.PhaseDiagram.__init__",false]],"__init__() (feos.phaseequilibrium method)":[[118,"feos.PhaseEquilibrium.__init__",false]],"__init__() (feos.planarinterface method)":[[128,"feos.PlanarInterface.__init__",false]],"__init__() (feos.pore1d method)":[[141,"feos.Pore1D.__init__",false]],"__init__() (feos.pore2d method)":[[144,"feos.Pore2D.__init__",false]],"__init__() (feos.pore3d method)":[[147,"feos.Pore3D.__init__",false]],"__init__() (feos.purerecord method)":[[150,"feos.PureRecord.__init__",false]],"__init__() (feos.segmentrecord method)":[[156,"feos.SegmentRecord.__init__",false]],"__init__() (feos.smartsrecord method)":[[162,"feos.SmartsRecord.__init__",false]],"__init__() (feos.solvationprofile method)":[[167,"feos.SolvationProfile.__init__",false]],"__init__() (feos.state method)":[[174,"feos.State.__init__",false]],"__init__() (feos.statevec method)":[[252,"feos.StateVec.__init__",false]],"__init__() (feos.surfacetensiondiagram method)":[[259,"feos.SurfaceTensionDiagram.__init__",false]],"__init__() (feos.verbosity method)":[[261,"feos.Verbosity.__init__",false]],"adsorption1d (class in feos)":[[3,"feos.Adsorption1D",false]],"adsorption3d (class in feos)":[[9,"feos.Adsorption3D",false]],"adsorption_isotherm() (feos.adsorption1d static method)":[[5,"feos.Adsorption1D.adsorption_isotherm",false]],"adsorption_isotherm() (feos.adsorption3d static method)":[[11,"feos.Adsorption3D.adsorption_isotherm",false]],"anderson_mixing() (feos.dftsolver method)":[[35,"feos.DFTSolver.anderson_mixing",false]],"binary_vle() (feos.phasediagram static method)":[[108,"feos.PhaseDiagram.binary_vle",false]],"binary_vlle() (feos.phasediagram static method)":[[109,"feos.PhaseDiagram.binary_vlle",false]],"binaryrecord (class in feos)":[[15,"feos.BinaryRecord",false]],"binarysegmentrecord (class in feos)":[[20,"feos.BinarySegmentRecord",false]],"boiling_temperature() (feos.phaseequilibrium static method)":[[119,"feos.PhaseEquilibrium.boiling_temperature",false]],"bubble_point() (feos.phaseequilibrium static method)":[[120,"feos.PhaseEquilibrium.bubble_point",false]],"bubble_point_line() (feos.phasediagram static method)":[[110,"feos.PhaseDiagram.bubble_point_line",false]],"bubble_point_pressure_derivatives() (in module feos)":[[262,"feos.bubble_point_pressure_derivatives",false]],"chemical_potential() (feos.state method)":[[175,"feos.State.chemical_potential",false]],"chemical_potential_contributions() (feos.state method)":[[176,"feos.State.chemical_potential_contributions",false]],"chemicalrecord (class in feos)":[[25,"feos.ChemicalRecord",false]],"compressibility() (feos.state method)":[[177,"feos.State.compressibility",false]],"contributions (class in feos)":[[31,"feos.Contributions",false]],"critical_point() (feos.state static method)":[[178,"feos.State.critical_point",false]],"critical_point_binary() (feos.state static method)":[[179,"feos.State.critical_point_binary",false]],"critical_point_pure() (feos.state static method)":[[180,"feos.State.critical_point_pure",false]],"customlj93() (feos.externalpotential static method)":[[61,"feos.ExternalPotential.CustomLJ93",false]],"customsteele() (feos.externalpotential static method)":[[62,"feos.ExternalPotential.CustomSteele",false]],"d2p_drho2() (feos.state method)":[[181,"feos.State.d2p_drho2",false]],"d2p_dv2() (feos.state method)":[[182,"feos.State.d2p_dv2",false]],"dc_v_dt() (feos.state method)":[[183,"feos.State.dc_v_dt",false]],"desorption_isotherm() (feos.adsorption1d static method)":[[6,"feos.Adsorption1D.desorption_isotherm",false]],"desorption_isotherm() (feos.adsorption3d static method)":[[12,"feos.Adsorption3D.desorption_isotherm",false]],"dew_point() (feos.phaseequilibrium static method)":[[121,"feos.PhaseEquilibrium.dew_point",false]],"dew_point_line() (feos.phasediagram static method)":[[111,"feos.PhaseDiagram.dew_point_line",false]],"dew_point_pressure_derivatives() (in module feos)":[[263,"feos.dew_point_pressure_derivatives",false]],"dftsolver (class in feos)":[[33,"feos.DFTSolver",false]],"diffusion() (feos.state method)":[[184,"feos.State.diffusion",false]],"diffusion_reference() (feos.state method)":[[185,"feos.State.diffusion_reference",false]],"dippr() (feos.equationofstate method)":[[40,"feos.EquationOfState.dippr",false]],"dln_phi_dnj() (feos.state method)":[[186,"feos.State.dln_phi_dnj",false]],"dln_phi_dp() (feos.state method)":[[187,"feos.State.dln_phi_dp",false]],"dln_phi_dt() (feos.state method)":[[188,"feos.State.dln_phi_dt",false]],"dmu_dni() (feos.state method)":[[189,"feos.State.dmu_dni",false]],"dmu_dt() (feos.state method)":[[190,"feos.State.dmu_dt",false]],"doublewell() (feos.externalpotential static method)":[[63,"feos.ExternalPotential.DoubleWell",false]],"dp_dni() (feos.state method)":[[191,"feos.State.dp_dni",false]],"dp_drho() (feos.state method)":[[192,"feos.State.dp_drho",false]],"dp_dt() (feos.state method)":[[193,"feos.State.dp_dt",false]],"dp_dv() (feos.state method)":[[194,"feos.State.dp_dv",false]],"ds_dt() (feos.state method)":[[195,"feos.State.ds_dt",false]],"enthalpy() (feos.state method)":[[196,"feos.State.enthalpy",false]],"entropy() (feos.paircorrelation method)":[[93,"feos.PairCorrelation.entropy",false]],"entropy() (feos.planarinterface method)":[[129,"feos.PlanarInterface.entropy",false]],"entropy() (feos.solvationprofile method)":[[168,"feos.SolvationProfile.entropy",false]],"entropy() (feos.state method)":[[197,"feos.State.entropy",false]],"entropy_density() (feos.paircorrelation method)":[[94,"feos.PairCorrelation.entropy_density",false]],"entropy_density() (feos.planarinterface method)":[[130,"feos.PlanarInterface.entropy_density",false]],"entropy_density() (feos.solvationprofile method)":[[169,"feos.SolvationProfile.entropy_density",false]],"epcsaft() (feos.equationofstate static method)":[[41,"feos.EquationOfState.epcsaft",false]],"equationofstate (class in feos)":[[38,"feos.EquationOfState",false]],"equilibrium_isotherm() (feos.adsorption1d static method)":[[7,"feos.Adsorption1D.equilibrium_isotherm",false]],"equilibrium_isotherm() (feos.adsorption3d static method)":[[13,"feos.Adsorption3D.equilibrium_isotherm",false]],"equilibrium_liquid_density_derivatives() (in module feos)":[[264,"feos.equilibrium_liquid_density_derivatives",false]],"externalpotential (class in feos)":[[60,"feos.ExternalPotential",false]],"fmt() (feos.helmholtzenergyfunctional static method)":[[82,"feos.HelmholtzEnergyFunctional.fmt",false]],"fmtversion (class in feos)":[[70,"feos.FMTVersion",false]],"freeenergyaveraged() (feos.externalpotential static method)":[[64,"feos.ExternalPotential.FreeEnergyAveraged",false]],"from_density_profile() (feos.planarinterface static method)":[[131,"feos.PlanarInterface.from_density_profile",false]],"from_json() (feos.chemicalrecord static method)":[[27,"feos.ChemicalRecord.from_json",false]],"from_json() (feos.parameters static method)":[[100,"feos.Parameters.from_json",false]],"from_json() (feos.purerecord static method)":[[151,"feos.PureRecord.from_json",false]],"from_json() (feos.segmentrecord static method)":[[157,"feos.SegmentRecord.from_json",false]],"from_json() (feos.smartsrecord static method)":[[163,"feos.SmartsRecord.from_json",false]],"from_json_segments() (feos.gcparameters static method)":[[74,"feos.GcParameters.from_json_segments",false]],"from_json_smiles() (feos.gcparameters static method)":[[75,"feos.GcParameters.from_json_smiles",false]],"from_json_str() (feos.binaryrecord static method)":[[17,"feos.BinaryRecord.from_json_str",false]],"from_json_str() (feos.binarysegmentrecord static method)":[[22,"feos.BinarySegmentRecord.from_json_str",false]],"from_json_str() (feos.chemicalrecord static method)":[[28,"feos.ChemicalRecord.from_json_str",false]],"from_json_str() (feos.purerecord static method)":[[152,"feos.PureRecord.from_json_str",false]],"from_json_str() (feos.segmentrecord static method)":[[158,"feos.SegmentRecord.from_json_str",false]],"from_json_str() (feos.smartsrecord static method)":[[164,"feos.SmartsRecord.from_json_str",false]],"from_multiple_json() (feos.parameters static method)":[[101,"feos.Parameters.from_multiple_json",false]],"from_pdgt() (feos.planarinterface static method)":[[132,"feos.PlanarInterface.from_pdgt",false]],"from_records() (feos.parameters static method)":[[102,"feos.Parameters.from_records",false]],"from_segments() (feos.gcparameters static method)":[[76,"feos.GcParameters.from_segments",false]],"from_smiles() (feos.chemicalrecord static method)":[[29,"feos.ChemicalRecord.from_smiles",false]],"from_smiles() (feos.gcparameters static method)":[[77,"feos.GcParameters.from_smiles",false]],"from_tanh() (feos.planarinterface static method)":[[133,"feos.PlanarInterface.from_tanh",false]],"gc_pcsaft() (feos.equationofstate static method)":[[42,"feos.EquationOfState.gc_pcsaft",false]],"gc_pcsaft() (feos.helmholtzenergyfunctional static method)":[[83,"feos.HelmholtzEnergyFunctional.gc_pcsaft",false]],"gcparameters (class in feos)":[[72,"feos.GcParameters",false]],"geometry (class in feos)":[[78,"feos.Geometry",false]],"gibbs_energy() (feos.state method)":[[198,"feos.State.gibbs_energy",false]],"grueneisen_parameter() (feos.state method)":[[199,"feos.State.grueneisen_parameter",false]],"hardwall() (feos.externalpotential static method)":[[65,"feos.ExternalPotential.HardWall",false]],"helmholtz_energy() (feos.state method)":[[200,"feos.State.helmholtz_energy",false]],"helmholtzenergyfunctional (class in feos)":[[80,"feos.HelmholtzEnergyFunctional",false]],"henrys_law_constant() (feos.state static method)":[[201,"feos.State.henrys_law_constant",false]],"henrys_law_constant_binary() (feos.state static method)":[[202,"feos.State.henrys_law_constant_binary",false]],"heteroazeotrope() (feos.phaseequilibrium static method)":[[122,"feos.PhaseEquilibrium.heteroazeotrope",false]],"ideal_gas() (feos.equationofstate static method)":[[43,"feos.EquationOfState.ideal_gas",false]],"identifier (class in feos)":[[87,"feos.Identifier",false]],"identifieroption (class in feos)":[[89,"feos.IdentifierOption",false]],"initialize() (feos.pore1d method)":[[142,"feos.Pore1D.initialize",false]],"initialize() (feos.pore2d method)":[[145,"feos.Pore2D.initialize",false]],"initialize() (feos.pore3d method)":[[148,"feos.Pore3D.initialize",false]],"interfacial_enrichment() (feos.planarinterface method)":[[134,"feos.PlanarInterface.interfacial_enrichment",false]],"interfacial_thickness() (feos.planarinterface method)":[[135,"feos.PlanarInterface.interfacial_thickness",false]],"internal_energy() (feos.paircorrelation method)":[[95,"feos.PairCorrelation.internal_energy",false]],"internal_energy() (feos.planarinterface method)":[[136,"feos.PlanarInterface.internal_energy",false]],"internal_energy() (feos.solvationprofile method)":[[170,"feos.SolvationProfile.internal_energy",false]],"internal_energy() (feos.state method)":[[203,"feos.State.internal_energy",false]],"is_stable() (feos.state method)":[[204,"feos.State.is_stable",false]],"isenthalpic_compressibility() (feos.state method)":[[205,"feos.State.isenthalpic_compressibility",false]],"isentropic_compressibility() (feos.state method)":[[206,"feos.State.isentropic_compressibility",false]],"isothermal_compressibility() (feos.state method)":[[207,"feos.State.isothermal_compressibility",false]],"joback() (feos.equationofstate method)":[[44,"feos.EquationOfState.joback",false]],"joule_thomson() (feos.state method)":[[208,"feos.State.joule_thomson",false]],"liquid_density_derivatives() (in module feos)":[[265,"feos.liquid_density_derivatives",false]],"lj93() (feos.externalpotential static method)":[[66,"feos.ExternalPotential.LJ93",false]],"lle() (feos.phasediagram static method)":[[112,"feos.PhaseDiagram.lle",false]],"ln_diffusion_reduced() (feos.state method)":[[209,"feos.State.ln_diffusion_reduced",false]],"ln_phi() (feos.state method)":[[210,"feos.State.ln_phi",false]],"ln_phi_pure_liquid() (feos.state method)":[[211,"feos.State.ln_phi_pure_liquid",false]],"ln_symmetric_activity_coefficient() (feos.state method)":[[212,"feos.State.ln_symmetric_activity_coefficient",false]],"ln_thermal_conductivity_reduced() (feos.state method)":[[213,"feos.State.ln_thermal_conductivity_reduced",false]],"ln_viscosity_reduced() (feos.state method)":[[214,"feos.State.ln_viscosity_reduced",false]],"mass() (feos.state method)":[[215,"feos.State.mass",false]],"mass_density() (feos.state method)":[[216,"feos.State.mass_density",false]],"massfracs() (feos.state method)":[[217,"feos.State.massfracs",false]],"max_density() (feos.equationofstate method)":[[45,"feos.EquationOfState.max_density",false]],"molar_enthalpy() (feos.state method)":[[218,"feos.State.molar_enthalpy",false]],"molar_enthalpy() (feos.statevec method)":[[253,"feos.StateVec.molar_enthalpy",false]],"molar_entropy() (feos.state method)":[[219,"feos.State.molar_entropy",false]],"molar_entropy() (feos.statevec method)":[[254,"feos.StateVec.molar_entropy",false]],"molar_gibbs_energy() (feos.state method)":[[220,"feos.State.molar_gibbs_energy",false]],"molar_helmholtz_energy() (feos.state method)":[[221,"feos.State.molar_helmholtz_energy",false]],"molar_internal_energy() (feos.state method)":[[222,"feos.State.molar_internal_energy",false]],"molar_isobaric_heat_capacity() (feos.state method)":[[223,"feos.State.molar_isobaric_heat_capacity",false]],"molar_isochoric_heat_capacity() (feos.state method)":[[224,"feos.State.molar_isochoric_heat_capacity",false]],"multiparameter() (feos.equationofstate static method)":[[46,"feos.EquationOfState.multiparameter",false]],"multiparameter_ideal_gas() (feos.equationofstate method)":[[47,"feos.EquationOfState.multiparameter_ideal_gas",false]],"new_binary() (feos.parameters static method)":[[103,"feos.Parameters.new_binary",false]],"new_pure() (feos.parameters static method)":[[104,"feos.Parameters.new_pure",false]],"newton() (feos.dftsolver method)":[[36,"feos.DFTSolver.newton",false]],"paircorrelation (class in feos)":[[91,"feos.PairCorrelation",false]],"par_pure() (feos.phasediagram static method)":[[113,"feos.PhaseDiagram.par_pure",false]],"parameters (class in feos)":[[98,"feos.Parameters",false]],"partial_molar_enthalpy() (feos.state method)":[[225,"feos.State.partial_molar_enthalpy",false]],"partial_molar_entropy() (feos.state method)":[[226,"feos.State.partial_molar_entropy",false]],"partial_molar_volume() (feos.state method)":[[227,"feos.State.partial_molar_volume",false]],"pcsaft() (feos.equationofstate static method)":[[48,"feos.EquationOfState.pcsaft",false]],"pcsaft() (feos.helmholtzenergyfunctional static method)":[[84,"feos.HelmholtzEnergyFunctional.pcsaft",false]],"peng_robinson() (feos.equationofstate static method)":[[49,"feos.EquationOfState.peng_robinson",false]],"pets() (feos.equationofstate static method)":[[50,"feos.EquationOfState.pets",false]],"pets() (feos.helmholtzenergyfunctional static method)":[[85,"feos.HelmholtzEnergyFunctional.pets",false]],"phase_equilibrium() (feos.adsorption1d static method)":[[8,"feos.Adsorption1D.phase_equilibrium",false]],"phase_equilibrium() (feos.adsorption3d static method)":[[14,"feos.Adsorption3D.phase_equilibrium",false]],"phasediagram (class in feos)":[[106,"feos.PhaseDiagram",false]],"phaseequilibrium (class in feos)":[[117,"feos.PhaseEquilibrium",false]],"picard_iteration() (feos.dftsolver method)":[[37,"feos.DFTSolver.picard_iteration",false]],"planarinterface (class in feos)":[[127,"feos.PlanarInterface",false]],"pore1d (class in feos)":[[140,"feos.Pore1D",false]],"pore2d (class in feos)":[[143,"feos.Pore2D",false]],"pore3d (class in feos)":[[146,"feos.Pore3D",false]],"pressure() (feos.state method)":[[228,"feos.State.pressure",false]],"pressure_contributions() (feos.state method)":[[229,"feos.State.pressure_contributions",false]],"pure() (feos.phasediagram static method)":[[114,"feos.PhaseDiagram.pure",false]],"pure() (feos.phaseequilibrium static method)":[[123,"feos.PhaseEquilibrium.pure",false]],"purerecord (class in feos)":[[149,"feos.PureRecord",false]],"python_ideal_gas() (feos.equationofstate method)":[[51,"feos.EquationOfState.python_ideal_gas",false]],"python_residual() (feos.equationofstate static method)":[[52,"feos.EquationOfState.python_residual",false]],"relative_adsorption() (feos.planarinterface method)":[[137,"feos.PlanarInterface.relative_adsorption",false]],"residual() (feos.paircorrelation method)":[[96,"feos.PairCorrelation.residual",false]],"residual() (feos.planarinterface method)":[[138,"feos.PlanarInterface.residual",false]],"residual() (feos.solvationprofile method)":[[171,"feos.SolvationProfile.residual",false]],"residual_molar_helmholtz_energy_contributions() (feos.state method)":[[230,"feos.State.residual_molar_helmholtz_energy_contributions",false]],"saftvrmie() (feos.equationofstate static method)":[[53,"feos.EquationOfState.saftvrmie",false]],"saftvrqmie() (feos.equationofstate static method)":[[54,"feos.EquationOfState.saftvrqmie",false]],"saftvrqmie() (feos.helmholtzenergyfunctional static method)":[[86,"feos.HelmholtzEnergyFunctional.saftvrqmie",false]],"second_virial_coefficient() (feos.equationofstate method)":[[55,"feos.EquationOfState.second_virial_coefficient",false]],"second_virial_coefficient_temperature_derivative() (feos.equationofstate method)":[[56,"feos.EquationOfState.second_virial_coefficient_temperature_derivative",false]],"segmentrecord (class in feos)":[[155,"feos.SegmentRecord",false]],"simplelj93() (feos.externalpotential static method)":[[67,"feos.ExternalPotential.SimpleLJ93",false]],"smartsrecord (class in feos)":[[161,"feos.SmartsRecord",false]],"solvationprofile (class in feos)":[[166,"feos.SolvationProfile",false]],"solve() (feos.paircorrelation method)":[[97,"feos.PairCorrelation.solve",false]],"solve() (feos.planarinterface method)":[[139,"feos.PlanarInterface.solve",false]],"solve() (feos.solvationprofile method)":[[172,"feos.SolvationProfile.solve",false]],"specific_enthalpy() (feos.state method)":[[231,"feos.State.specific_enthalpy",false]],"specific_enthalpy() (feos.statevec method)":[[255,"feos.StateVec.specific_enthalpy",false]],"specific_entropy() (feos.state method)":[[232,"feos.State.specific_entropy",false]],"specific_entropy() (feos.statevec method)":[[256,"feos.StateVec.specific_entropy",false]],"specific_gibbs_energy() (feos.state method)":[[233,"feos.State.specific_gibbs_energy",false]],"specific_helmholtz_energy() (feos.state method)":[[234,"feos.State.specific_helmholtz_energy",false]],"specific_internal_energy() (feos.state method)":[[235,"feos.State.specific_internal_energy",false]],"specific_isobaric_heat_capacity() (feos.state method)":[[236,"feos.State.specific_isobaric_heat_capacity",false]],"specific_isochoric_heat_capacity() (feos.state method)":[[237,"feos.State.specific_isochoric_heat_capacity",false]],"speed_of_sound() (feos.state method)":[[238,"feos.State.speed_of_sound",false]],"spinodal() (feos.phasediagram static method)":[[115,"feos.PhaseDiagram.spinodal",false]],"spinodal() (feos.state static method)":[[239,"feos.State.spinodal",false]],"stability_analysis() (feos.state method)":[[240,"feos.State.stability_analysis",false]],"state (class in feos)":[[173,"feos.State",false]],"statevec (class in feos)":[[251,"feos.StateVec",false]],"steele() (feos.externalpotential static method)":[[68,"feos.ExternalPotential.Steele",false]],"structure_factor() (feos.state method)":[[241,"feos.State.structure_factor",false]],"surfacetensiondiagram (class in feos)":[[258,"feos.SurfaceTensionDiagram",false]],"thermal_conductivity() (feos.state method)":[[242,"feos.State.thermal_conductivity",false]],"thermal_conductivity_reference() (feos.state method)":[[243,"feos.State.thermal_conductivity_reference",false]],"thermal_expansivity() (feos.state method)":[[244,"feos.State.thermal_expansivity",false]],"thermodynamic_factor() (feos.state method)":[[245,"feos.State.thermodynamic_factor",false]],"third_virial_coefficient() (feos.equationofstate method)":[[57,"feos.EquationOfState.third_virial_coefficient",false]],"third_virial_coefficient_temperature_derivative() (feos.equationofstate method)":[[58,"feos.EquationOfState.third_virial_coefficient_temperature_derivative",false]],"to_dict() (feos.binaryrecord method)":[[18,"feos.BinaryRecord.to_dict",false]],"to_dict() (feos.binarysegmentrecord method)":[[23,"feos.BinarySegmentRecord.to_dict",false]],"to_dict() (feos.phasediagram method)":[[116,"feos.PhaseDiagram.to_dict",false]],"to_dict() (feos.purerecord method)":[[153,"feos.PureRecord.to_dict",false]],"to_dict() (feos.segmentrecord method)":[[159,"feos.SegmentRecord.to_dict",false]],"to_dict() (feos.statevec method)":[[257,"feos.StateVec.to_dict",false]],"to_json_str() (feos.binaryrecord method)":[[19,"feos.BinaryRecord.to_json_str",false]],"to_json_str() (feos.binarysegmentrecord method)":[[24,"feos.BinarySegmentRecord.to_json_str",false]],"to_json_str() (feos.chemicalrecord method)":[[30,"feos.ChemicalRecord.to_json_str",false]],"to_json_str() (feos.parameters method)":[[105,"feos.Parameters.to_json_str",false]],"to_json_str() (feos.purerecord method)":[[154,"feos.PureRecord.to_json_str",false]],"to_json_str() (feos.segmentrecord method)":[[160,"feos.SegmentRecord.to_json_str",false]],"to_json_str() (feos.smartsrecord method)":[[165,"feos.SmartsRecord.to_json_str",false]],"total_mass() (feos.state method)":[[246,"feos.State.total_mass",false]],"total_molar_weight() (feos.state method)":[[247,"feos.State.total_molar_weight",false]],"tp_flash() (feos.phaseequilibrium static method)":[[124,"feos.PhaseEquilibrium.tp_flash",false]],"tp_flash() (feos.state method)":[[248,"feos.State.tp_flash",false]],"uvtheory() (feos.equationofstate static method)":[[59,"feos.EquationOfState.uvtheory",false]],"vapor_pressure() (feos.phaseequilibrium static method)":[[125,"feos.PhaseEquilibrium.vapor_pressure",false]],"vapor_pressure_derivatives() (in module feos)":[[266,"feos.vapor_pressure_derivatives",false]],"verbosity (class in feos)":[[260,"feos.Verbosity",false]],"viscosity() (feos.state method)":[[249,"feos.State.viscosity",false]],"viscosity_reference() (feos.state method)":[[250,"feos.State.viscosity_reference",false]],"vle_pure_comps() (feos.phaseequilibrium static method)":[[126,"feos.PhaseEquilibrium.vle_pure_comps",false]]},"objects":{"feos":[[3,0,1,"","Adsorption1D"],[9,0,1,"","Adsorption3D"],[15,0,1,"","BinaryRecord"],[20,0,1,"","BinarySegmentRecord"],[25,0,1,"","ChemicalRecord"],[31,0,1,"","Contributions"],[33,0,1,"","DFTSolver"],[38,0,1,"","EquationOfState"],[60,0,1,"","ExternalPotential"],[70,0,1,"","FMTVersion"],[72,0,1,"","GcParameters"],[78,0,1,"","Geometry"],[80,0,1,"","HelmholtzEnergyFunctional"],[87,0,1,"","Identifier"],[89,0,1,"","IdentifierOption"],[91,0,1,"","PairCorrelation"],[98,0,1,"","Parameters"],[106,0,1,"","PhaseDiagram"],[117,0,1,"","PhaseEquilibrium"],[127,0,1,"","PlanarInterface"],[140,0,1,"","Pore1D"],[143,0,1,"","Pore2D"],[146,0,1,"","Pore3D"],[149,0,1,"","PureRecord"],[155,0,1,"","SegmentRecord"],[161,0,1,"","SmartsRecord"],[166,0,1,"","SolvationProfile"],[173,0,1,"","State"],[251,0,1,"","StateVec"],[258,0,1,"","SurfaceTensionDiagram"],[260,0,1,"","Verbosity"],[262,2,1,"","bubble_point_pressure_derivatives"],[263,2,1,"","dew_point_pressure_derivatives"],[264,2,1,"","equilibrium_liquid_density_derivatives"],[265,2,1,"","liquid_density_derivatives"],[266,2,1,"","vapor_pressure_derivatives"]],"feos.Adsorption1D":[[4,1,1,"","__init__"],[5,1,1,"","adsorption_isotherm"],[6,1,1,"","desorption_isotherm"],[7,1,1,"","equilibrium_isotherm"],[8,1,1,"","phase_equilibrium"]],"feos.Adsorption3D":[[10,1,1,"","__init__"],[11,1,1,"","adsorption_isotherm"],[12,1,1,"","desorption_isotherm"],[13,1,1,"","equilibrium_isotherm"],[14,1,1,"","phase_equilibrium"]],"feos.BinaryRecord":[[16,1,1,"","__init__"],[17,1,1,"","from_json_str"],[18,1,1,"","to_dict"],[19,1,1,"","to_json_str"]],"feos.BinarySegmentRecord":[[21,1,1,"","__init__"],[22,1,1,"","from_json_str"],[23,1,1,"","to_dict"],[24,1,1,"","to_json_str"]],"feos.ChemicalRecord":[[26,1,1,"","__init__"],[27,1,1,"","from_json"],[28,1,1,"","from_json_str"],[29,1,1,"","from_smiles"],[30,1,1,"","to_json_str"]],"feos.Contributions":[[32,1,1,"","__init__"]],"feos.DFTSolver":[[34,1,1,"","__init__"],[35,1,1,"","anderson_mixing"],[36,1,1,"","newton"],[37,1,1,"","picard_iteration"]],"feos.EquationOfState":[[39,1,1,"","__init__"],[40,1,1,"","dippr"],[41,1,1,"","epcsaft"],[42,1,1,"","gc_pcsaft"],[43,1,1,"","ideal_gas"],[44,1,1,"","joback"],[45,1,1,"","max_density"],[46,1,1,"","multiparameter"],[47,1,1,"","multiparameter_ideal_gas"],[48,1,1,"","pcsaft"],[49,1,1,"","peng_robinson"],[50,1,1,"","pets"],[51,1,1,"","python_ideal_gas"],[52,1,1,"","python_residual"],[53,1,1,"","saftvrmie"],[54,1,1,"","saftvrqmie"],[55,1,1,"","second_virial_coefficient"],[56,1,1,"","second_virial_coefficient_temperature_derivative"],[57,1,1,"","third_virial_coefficient"],[58,1,1,"","third_virial_coefficient_temperature_derivative"],[59,1,1,"","uvtheory"]],"feos.ExternalPotential":[[61,1,1,"","CustomLJ93"],[62,1,1,"","CustomSteele"],[63,1,1,"","DoubleWell"],[64,1,1,"","FreeEnergyAveraged"],[65,1,1,"","HardWall"],[66,1,1,"","LJ93"],[67,1,1,"","SimpleLJ93"],[68,1,1,"","Steele"],[69,1,1,"","__init__"]],"feos.FMTVersion":[[71,1,1,"","__init__"]],"feos.GcParameters":[[73,1,1,"","__init__"],[74,1,1,"","from_json_segments"],[75,1,1,"","from_json_smiles"],[76,1,1,"","from_segments"],[77,1,1,"","from_smiles"]],"feos.Geometry":[[79,1,1,"","__init__"]],"feos.HelmholtzEnergyFunctional":[[81,1,1,"","__init__"],[82,1,1,"","fmt"],[83,1,1,"","gc_pcsaft"],[84,1,1,"","pcsaft"],[85,1,1,"","pets"],[86,1,1,"","saftvrqmie"]],"feos.Identifier":[[88,1,1,"","__init__"]],"feos.IdentifierOption":[[90,1,1,"","__init__"]],"feos.PairCorrelation":[[92,1,1,"","__init__"],[93,1,1,"","entropy"],[94,1,1,"","entropy_density"],[95,1,1,"","internal_energy"],[96,1,1,"","residual"],[97,1,1,"","solve"]],"feos.Parameters":[[99,1,1,"","__init__"],[100,1,1,"","from_json"],[101,1,1,"","from_multiple_json"],[102,1,1,"","from_records"],[103,1,1,"","new_binary"],[104,1,1,"","new_pure"],[105,1,1,"","to_json_str"]],"feos.PhaseDiagram":[[107,1,1,"","__init__"],[108,1,1,"","binary_vle"],[109,1,1,"","binary_vlle"],[110,1,1,"","bubble_point_line"],[111,1,1,"","dew_point_line"],[112,1,1,"","lle"],[113,1,1,"","par_pure"],[114,1,1,"","pure"],[115,1,1,"","spinodal"],[116,1,1,"","to_dict"]],"feos.PhaseEquilibrium":[[118,1,1,"","__init__"],[119,1,1,"","boiling_temperature"],[120,1,1,"","bubble_point"],[121,1,1,"","dew_point"],[122,1,1,"","heteroazeotrope"],[123,1,1,"","pure"],[124,1,1,"","tp_flash"],[125,1,1,"","vapor_pressure"],[126,1,1,"","vle_pure_comps"]],"feos.PlanarInterface":[[128,1,1,"","__init__"],[129,1,1,"","entropy"],[130,1,1,"","entropy_density"],[131,1,1,"","from_density_profile"],[132,1,1,"","from_pdgt"],[133,1,1,"","from_tanh"],[134,1,1,"","interfacial_enrichment"],[135,1,1,"","interfacial_thickness"],[136,1,1,"","internal_energy"],[137,1,1,"","relative_adsorption"],[138,1,1,"","residual"],[139,1,1,"","solve"]],"feos.Pore1D":[[141,1,1,"","__init__"],[142,1,1,"","initialize"]],"feos.Pore2D":[[144,1,1,"","__init__"],[145,1,1,"","initialize"]],"feos.Pore3D":[[147,1,1,"","__init__"],[148,1,1,"","initialize"]],"feos.PureRecord":[[150,1,1,"","__init__"],[151,1,1,"","from_json"],[152,1,1,"","from_json_str"],[153,1,1,"","to_dict"],[154,1,1,"","to_json_str"]],"feos.SegmentRecord":[[156,1,1,"","__init__"],[157,1,1,"","from_json"],[158,1,1,"","from_json_str"],[159,1,1,"","to_dict"],[160,1,1,"","to_json_str"]],"feos.SmartsRecord":[[162,1,1,"","__init__"],[163,1,1,"","from_json"],[164,1,1,"","from_json_str"],[165,1,1,"","to_json_str"]],"feos.SolvationProfile":[[167,1,1,"","__init__"],[168,1,1,"","entropy"],[169,1,1,"","entropy_density"],[170,1,1,"","internal_energy"],[171,1,1,"","residual"],[172,1,1,"","solve"]],"feos.State":[[174,1,1,"","__init__"],[175,1,1,"","chemical_potential"],[176,1,1,"","chemical_potential_contributions"],[177,1,1,"","compressibility"],[178,1,1,"","critical_point"],[179,1,1,"","critical_point_binary"],[180,1,1,"","critical_point_pure"],[181,1,1,"","d2p_drho2"],[182,1,1,"","d2p_dv2"],[183,1,1,"","dc_v_dt"],[184,1,1,"","diffusion"],[185,1,1,"","diffusion_reference"],[186,1,1,"","dln_phi_dnj"],[187,1,1,"","dln_phi_dp"],[188,1,1,"","dln_phi_dt"],[189,1,1,"","dmu_dni"],[190,1,1,"","dmu_dt"],[191,1,1,"","dp_dni"],[192,1,1,"","dp_drho"],[193,1,1,"","dp_dt"],[194,1,1,"","dp_dv"],[195,1,1,"","ds_dt"],[196,1,1,"","enthalpy"],[197,1,1,"","entropy"],[198,1,1,"","gibbs_energy"],[199,1,1,"","grueneisen_parameter"],[200,1,1,"","helmholtz_energy"],[201,1,1,"","henrys_law_constant"],[202,1,1,"","henrys_law_constant_binary"],[203,1,1,"","internal_energy"],[204,1,1,"","is_stable"],[205,1,1,"","isenthalpic_compressibility"],[206,1,1,"","isentropic_compressibility"],[207,1,1,"","isothermal_compressibility"],[208,1,1,"","joule_thomson"],[209,1,1,"","ln_diffusion_reduced"],[210,1,1,"","ln_phi"],[211,1,1,"","ln_phi_pure_liquid"],[212,1,1,"","ln_symmetric_activity_coefficient"],[213,1,1,"","ln_thermal_conductivity_reduced"],[214,1,1,"","ln_viscosity_reduced"],[215,1,1,"","mass"],[216,1,1,"","mass_density"],[217,1,1,"","massfracs"],[218,1,1,"","molar_enthalpy"],[219,1,1,"","molar_entropy"],[220,1,1,"","molar_gibbs_energy"],[221,1,1,"","molar_helmholtz_energy"],[222,1,1,"","molar_internal_energy"],[223,1,1,"","molar_isobaric_heat_capacity"],[224,1,1,"","molar_isochoric_heat_capacity"],[225,1,1,"","partial_molar_enthalpy"],[226,1,1,"","partial_molar_entropy"],[227,1,1,"","partial_molar_volume"],[228,1,1,"","pressure"],[229,1,1,"","pressure_contributions"],[230,1,1,"","residual_molar_helmholtz_energy_contributions"],[231,1,1,"","specific_enthalpy"],[232,1,1,"","specific_entropy"],[233,1,1,"","specific_gibbs_energy"],[234,1,1,"","specific_helmholtz_energy"],[235,1,1,"","specific_internal_energy"],[236,1,1,"","specific_isobaric_heat_capacity"],[237,1,1,"","specific_isochoric_heat_capacity"],[238,1,1,"","speed_of_sound"],[239,1,1,"","spinodal"],[240,1,1,"","stability_analysis"],[241,1,1,"","structure_factor"],[242,1,1,"","thermal_conductivity"],[243,1,1,"","thermal_conductivity_reference"],[244,1,1,"","thermal_expansivity"],[245,1,1,"","thermodynamic_factor"],[246,1,1,"","total_mass"],[247,1,1,"","total_molar_weight"],[248,1,1,"","tp_flash"],[249,1,1,"","viscosity"],[250,1,1,"","viscosity_reference"]],"feos.StateVec":[[252,1,1,"","__init__"],[253,1,1,"","molar_enthalpy"],[254,1,1,"","molar_entropy"],[255,1,1,"","specific_enthalpy"],[256,1,1,"","specific_entropy"],[257,1,1,"","to_dict"]],"feos.SurfaceTensionDiagram":[[259,1,1,"","__init__"]],"feos.Verbosity":[[261,1,1,"","__init__"]]},"objnames":{"0":["py","class","Python class"],"1":["py","method","Python method"],"2":["py","function","Python function"]},"objtypes":{"0":"py:class","1":"py:method","2":"py:function"},"terms":{"000000004710234326181233\u03b51\u00b2":308,"0000006261809548282462\u03b5":308,"0000006261809548282462\u03b51":308,"001300e":305,"02214076e23":309,"04684676e":273,"04684730e":273,"04684784e":273,"06545385e":273,"06545458e":273,"06545531e":273,"0f":302,"0x7fb34959a6d0":306,"0x7fb3582d9470":306,"0\u03b5":308,"0\u03b51":308,"0\u03b51\u00b2":308,"0\u03b51\u03b52":308,"0\u03b52":308,"100_000":[0,273],"10_000_000":[0,273],"11min":273,"11s":[0,273],"12e":[297,298],"130365e":305,"148659416520544790000000000000000000000000000000\u03b51\u00b2":308,"15312125055595608000\u03b51\u03b52":308,"15_000":309,"1_000_000":273,"1d":[3,140,301],"1e":[35,36,37,41,42,48,53,83,84,302,305,309],"1e1":305,"1e5":[0,273],"1e7":305,"1f":309,"1h3":306,"1min":[0,273],"1si":63,"1ss":63,"1\u03b5":308,"1\u03b51":308,"21s":273,"2359e":304,"24206681e":273,"24206685e":273,"24206688e":273,"24s":273,"25s":273,"2657e":304,"266637e":305,"27_000":309,"29257342e":273,"29279667e":273,"29301993e":273,"29569161285839853000000000000000000000000000000\u03b51\u00b2":308,"2_500":302,"2b":301,"2c":292,"2d_id_j":297,"2f":[302,304,305,309],"2h3":[304,306],"2k_":297,"2n_2":297,"2nd":308,"2si":63,"2ss":63,"3038285859542560000000\u03b5":308,"3038285859542560000000\u03b51":308,"3038285859542560000000\u03b52":308,"31346293e":273,"31346323e":273,"31346353e":273,"3316e":304,"34250975e":273,"34379943e":273,"34508930e":273,"34916950e":273,"34925463e":273,"34933975e":273,"360_000":309,"37290974e":273,"37291045e":273,"37291116e":273,"380649e":309,"39s":[0,273],"3d":[9,146],"3min":[0,273],"40s":[0,273],"410451e":305,"4543491066169247e":308,"49487795e":273,"49487960e":273,"49488124e":273,"4h2":306,"602176634e":309,"602382953715129600000\u03b5":308,"602382953715129600000\u03b51":308,"602382953715129600000\u03b52":308,"60640761e":273,"60641033e":273,"60641306e":273,"62607015e":309,"64318575e":273,"64395838e":273,"64473112e":273,"64bit":308,"6743e":309,"6878e":304,"68941164e":273,"68941167e":273,"68941171e":273,"6h2":304,"73083514e":273,"73083541e":273,"73083568e":273,"79512373e":273,"79512573e":273,"79512774e":273,"7951e":304,"80107035e":273,"80107128e":273,"80107221e":273,"879119e":305,"9194e":304,"94409278e":273,"94409438e":273,"94409599e":273,"99792458e8":309,"A":[7,8,13,14,51,52,60,75,76,77,97,102,103,106,117,123,124,127,139,172,173,248,251,258,282,284,287,288,289,292,293,294,296,297,298,301,302,304,305,306,308,309],"After":[287,308],"All":[267,283,286,287,308],"An":[108,110,111,113,114,115,133,179,258,298,306],"As":[282,284,301,302,306],"At":[284,287,288,289,306],"Below":308,"Both":286,"But":282,"By":[289,290,297],"Do":258,"Each":[285,302,306],"For":[0,5,6,7,8,11,12,13,14,110,111,113,114,115,282,284,285,286,287,288,289,290,292,293,296,297,298,301,302,304,305,306,308,309],"From":[287,293],"Further":294,"Here":[267,284,287,293,297,301,302,306,308],"I":290,"If":[7,13,37,97,109,132,133,139,172,173,258,269,271,272,282,284,285,288,296,297,301,302,305,306,308,309],"In":[110,111,268,271,282,283,284,285,286,287,288,289,290,292,293,296,297,301,302,305,306,308,309],"It":[270,282,283,291,295,297,299,301,305,308],"Most":[283,284,309],"No":[284,308],"Of":309,"On":[285,297,307,310],"Or":302,"Other":[267,282],"Our":[282,284],"So":284,"Some":[285,302,306,309],"That":[284,308],"The":[0,5,6,7,8,11,12,13,14,27,33,35,36,37,40,41,42,44,45,46,47,48,49,50,53,54,55,56,57,58,59,64,74,82,83,84,85,86,91,97,100,101,103,104,105,108,109,110,111,112,113,114,115,116,119,120,121,122,123,124,125,126,131,132,133,139,140,142,145,146,148,151,166,172,173,178,179,180,201,202,204,239,240,248,257,258,262,263,264,265,266,267,268,281,285,286,287,288,289,290,292,293,294,296,297,298,301,302,306,308],"Then":[282,286,287,288,293,294,296,301,304,306],"There":[284,306,309],"These":[283,284,285,292,306],"They":[283,286],"This":[0,209,213,214,272,282,284,286,287,288,291,293,294,295,297,299,302,305,306,308,309],"Those":[283,306],"To":[271,282,283,284,285,287,288,293,301,302,306,309],"Was":284,"We":[0,270,282,283,284,297,301,302,304,305,306,308,309],"What":[284,288],"When":[123,124,173,248,301,302,306,308],"Where":288,"Which":[284,308],"With":[285,286,289,293,297],"You":[271,282,284,285,291,295,299,301,302,304,306,307],"_":[271,284,285,286,287,288,289,290,291,292,293,294,295,297,298,299,306,308],"_2":297,"__":309,"__init__":[302,308],"_core":309,"_res":304,"_t":[286,287,288,290],"a43":297,"a_":298,"a_ib_i":297,"a_r":[302,308],"aa":282,"aasen":297,"ab":[297,302,304,305],"abbrevi":289,"abl":[282,283,285],"abov":[284,288,293,301,306,308],"absolut":304,"abstract":[283,285],"acceler":309,"access":[271,302,305],"accident":270,"accord":[282,284,292,298,304,308,309],"account":[284,289,297],"acentr":[302,308],"acentric_factor":[302,308],"aceton":[282,306],"achiev":[284,297],"aco":274,"across":[285,306],"act":294,"action":293,"activ":[212,296],"actual":[282,284,296,302,308],"ad":[0,287,290],"adapt":297,"add":[35,36,37,271,302,305,306,308,309],"addit":[54,86,132,133,258,284,285,287,293,296,309],"adequ":306,"adjust":[297,301,304],"adsorb":[287,290],"adsorpt":[3,5,6,7,8,9,11,12,13,14,137,267,270,271,290,291],"advanc":41,"advantag":[282,288,292],"ak":[302,308],"ak_mix":[302,308],"al":[288,292,297,298],"alcohol":101,"algorithm":[282,294,295,297],"align":[286,288,289,293],"alkan":101,"all_model":271,"allow":[282,284,298,301,302,306,308,309],"almost":283,"along":286,"alonso":284,"alpha":[288,289,290,292,293,297,298,302],"alpha_p":296,"alreadi":[284,308],"also":[0,124,271,282,284,293,301,302,305,306,308,309],"altern":306,"amongst":287,"amount":[45,124,173,186,189,191,284,296,302,308,309],"amper":309,"analog":[286,287,293,297],"analysi":[204,240,270],"analyt":[270,283,284,290,292,293,297,308],"analyz":285,"anderson":35,"angl":[143,146,272,292],"angstrom":[82,166,274,280,282,284,301,302,306,308,309],"angstrom\u00b3":302,"ani":[287,290,302,305,306,308,309],"anoth":[282,306],"answer":284,"antisymwhitebear":298,"anymor":308,"anyway":282,"api":270,"appeal":288,"appear":[286,289],"append":304,"appendix":288,"appli":[292,304],"applic":[267,296],"approach":[288,292,293,306],"appropri":[282,293],"approx":293,"approx1":287,"approxim":[292,293,298],"apropri":309,"arbitrari":287,"arbitrarili":308,"area":292,"aren":308,"argument":[284,301,305,306,309],"arithmet":[284,297,308,309],"around":[284,292],"array":[0,273,283,301,302,304,306,308],"array1":[282,284],"artihmet":308,"asid":309,"assembl":[282,306],"assert":[302,305,309],"assoc":[285,297,306],"associ":[0,41,42,48,53,83,84,299,301,306,309],"association_sit":306,"assum":[202,284,287],"assumpt":[282,289],"attract":297,"attribut":[3,9,15,20,25,31,33,38,70,78,87,89,91,98,106,117,127,140,143,146,149,155,166,173,251,258,260,306],"autom":289,"automat":[267,282,284,289,290,306],"autonomi":306,"av":302,"avail":[267,271,285,286,294,301,305,306],"averag":[64,289],"avogradro":309,"avoid":[286,288,293],"awesom":283,"ax":[277,302,304,305],"axe":78,"axi":[0,273,305],"b":[55,56,286,287,288,290,293,297,298,302,308],"back":[288,302],"backend":302,"balanc":287,"bar":[276,278,302,305,309],"bare":290,"base":[40,285,287,293,296,309],"basic":309,"bear":[297,298],"becaus":[282,283,284,288,296,297,301,302,304,306,308,309],"becom":297,"befor":[282,284,302,305,306,308,309],"beforehand":293,"begin":[65,286,288,289,293,298],"behavior":[282,306],"behind":271,"benefici":297,"benefit":297,"beta":[282,284,286,288,290,292,293,294,296,297,298],"bh":59,"bigg":284,"binari":[0,15,20,62,68,74,75,76,77,100,101,102,103,105,106,108,109,122,179,202,262,263,268,302,308],"binary_paramet":103,"binary_path":[74,75,100,101,306],"binary_record":[102,306],"binary_segment_record":[76,77],"binary_vl":302,"binaryrecord":[102,103,306],"binarysegmentrecord":[76,77],"bind":[270,271],"bit":[282,284,302,306],"black":302,"block":284,"bmcsl":298,"boil":[119,272,302,305],"boiling_temperatur":[276,302,305],"boltzmann":309,"bond":[25,286,288,290,293],"book":285,"bool":[35,36,37,54,86,96,97,105,132,133,138,139,171,172,204,258,262,263,264,265,266,284],"boubl\u00edk":298,"box":[166,282,285],"box_length":309,"branch":271,"brogli":[282,286,287,288,296],"brows":270,"bubbl":[0,108,109,110,111,122,262,302],"bubble_point":302,"bubble_point_pressure_deriv":[0,273],"build":[270,271,283,284,285,302,308],"built":[284,285,302,306],"builtin":308,"builtin_function_or_method":302,"bulk":[5,6,7,8,11,12,13,14,91,131,132,133,142,145,148,166,286,287,288,296,301],"bundl":306,"butan":[302,306],"butan_1_ol":306,"butanol":306,"c":[57,58,282,284,292,296,297,306,309],"c1":[304,306],"c3h6o":306,"c4h10":306,"c4h10o":306,"c6h14":304,"c_":[292,298],"c_1":294,"c_2":294,"c_p":[284,296,308],"c_v":[287,296],"cach":[284,302,308],"calcualt":109,"calcul":[0,5,6,7,8,11,12,13,14,55,56,57,58,64,93,94,95,96,108,109,110,111,112,113,114,115,116,119,122,124,125,126,129,130,131,132,133,134,135,136,137,138,146,168,169,170,171,176,239,248,257,258,262,263,264,265,266,270,272,282,284,286,288,289,290,292,293,294,296,298,301,302,305,306,308],"call":[284,285,301,302,305,308,309],"can":[0,2,5,6,7,11,12,13,31,41,42,48,49,50,53,54,59,97,112,123,124,139,172,173,248,268,271,282,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,299,301,302,304,305,306,307,308,309],"cancel":[282,286,287,288,296],"candela":309,"candid":240,"capabl":0,"capac":[40,183,223,224,236,237,282,284,287,296,308],"cargo":283,"carnahan":298,"cartesian":[64,140,166,274,301],"cas":[87,304,306],"case":[0,65,112,142,145,148,282,288,289,290,296,297,298,301,302,306],"caviti":288,"cbrt":[304,309],"cc":[297,306],"ccc":2,"cccc":[2,306],"cccccc":304,"cccco":306,"cd":283,"cdft":272,"cdot":[292,297,298,304],"ce":304,"cell":[64,146,305,308,309],"celsius":309,"center":64,"centi":309,"central":[283,288],"ch2":[304,306],"ch3":[304,306],"ch4":306,"chain":[290,293,298],"chang":[284,287,306],"character":98,"characterist":296,"charg":309,"check":[97,139,172,270,284,296,297,298,301,302,304,306,308,309],"chemic":[72,76,87,175,176,189,190,282,284,286,287,288,296,302,305],"chemical_potenti":[284,302],"chemical_potential_":284,"chemical_record":[76,304,306],"chemicalrecord":[76,304,306],"choic":293,"choos":284,"chosen":287,"chunksiz":113,"circumv":309,"clapeyron":291,"clarifi":287,"class":[0,3,9,15,20,25,31,33,38,51,52,60,70,72,78,80,87,89,91,98,106,117,127,140,143,146,149,155,161,166,173,251,258,260,267,302,308,309],"classic":[267,270,285,286,288,290],"clausius":291,"clight":309,"clip_on":[279,301],"clone":[283,284],"closer":[284,308],"cm":309,"code":[75,77,161,270,272,284,285,288,305,308,309],"coeffici":[35,37,55,56,57,58,184,186,187,188,205,206,207,208,210,211,212,244,284,290,293,296,298,306,308],"collect":[0,38,60,80],"color":[277,279,301,302,305],"color_palett":[277,279,301,305],"column":301,"com":271,"combin":[48,62,72,84,173,268,284,287,293,297,302,306],"come":[282,284,293,301,302],"comfort":285,"comment":[270,301,306,309],"common":[87,270,272,282,284,285,287,288,296,302,306],"compact":287,"compar":[287,293,301],"compat":309,"compil":[271,285],"complet":[306,309],"complex":[0,288,308],"complic":[287,306],"compon":[0,27,45,76,85,102,103,104,106,108,109,110,111,113,114,115,116,119,122,125,126,137,149,151,173,175,176,178,202,211,215,217,225,226,227,239,257,262,263,268,270,282,284,287,288,292,296,302,305,308],"component_list":282,"composit":[45,55,56,57,58,110,111,112,115,124,178,179,201,239,262,263,286,287,302],"compositon":294,"compress":[205,206,207,287,296],"compressibl":296,"comput":[2,31,41,42,48,49,50,53,54,55,56,57,58,59,120,121,142,145,148,270,282,283,301,304,305,306,308],"compute_max_dens":282,"concept":282,"concern":284,"concret":284,"cond":[301,304],"condit":[2,120,121,131,173,178,179,180,270,284,287,288,294,302,304],"conduct":[213,242,243,301],"confus":284,"conjunct":[308,309],"consant":112,"consequ":284,"consid":[116,257,284,286,287,288,298,301,302,306,309],"consider":288,"consist":[282,284,288,294,298,308,309],"constant":[37,108,201,202,286,287,292,296,297,308],"constraint":[132,133,258,286],"construct":[284,288,289,290,291,295,299,305,306,308,309],"constructor":[284,302,305,306],"consum":292,"contact":[269,272,288],"contain":[2,3,9,27,43,74,75,76,77,100,101,102,110,111,151,157,163,258,272,282,284,285,290,296,297,301,302,305,306,308,309],"context":[0,284,287,288,298],"contrast":[284,287,289],"contribut":[0,42,43,72,83,93,94,95,116,129,130,136,168,169,170,175,176,177,181,182,183,189,190,191,192,193,194,195,196,197,198,200,203,218,219,220,221,222,223,224,228,229,230,231,232,233,234,235,236,237,253,254,255,256,257,268,270,285,288,289,290,291,293,295,296,297,298,299,302,304,305],"control":[284,301,302],"conveni":[251,282,284,286,288,297,301,302,305,306,309],"converg":[41,42,48,53,83,84,97,123,124,139,172,173,248,262,263,264,265,266,286,293,302],"convers":308,"convert":309,"convolut":[285,289,292,293],"convolv":[289,298],"coordin":[64,140,146,166,270,301],"core":[0,268,270,271,281,282,284,285,289,291],"correct":[54,86,282,284,288,290,305,308,309],"correl":[209,213,214,282,288,301,304,306],"correspond":[110,111,285,287,294,296,297,306],"cost":[142,145,148,293,308],"count":282,"cours":[284,309],"cover":297,"cp":[301,304],"cpu":[0,273,301],"cr1":306,"cr2":306,"crate":[271,281,284,285,309],"creat":[2,28,30,74,75,76,77,100,101,102,103,104,112,123,124,164,165,173,178,179,268,282,284,302,305,306,309],"creation":306,"critic":[110,111,113,114,115,133,178,179,180,258,270,284,285,295,301,305,308],"critical_point":[270,275,294,301,302],"critical_point_binary_p":294,"critical_point_binary_t":294,"critical_pressur":[302,308],"critical_temperatur":[110,111,113,114,115,133,258,301,302,305,308],"critiqu":[301,306,309],"cross":[0,41,42,48,53,83,84],"crucial":0,"cs":309,"csv":[301,304],"cubic":[282,309],"cumbersom":289,"current":[0,285,291,295,297,298,299],"custom":[5,6,7,8,11,12,13,14,61,62,258],"cut":166,"cutoff":[64,146],"cutoff_radius":[64,146,166],"cv":[301,304],"cylindr":140,"d":[282,284,286,287,288,289,290,292,293,296,297,298,302,308],"d_":[297,298],"d_i":297,"d_j":297,"d_k":297,"damp":[35,37,293],"damping_coeffici":[35,37],"dark2":[277,279,301,302,304,305],"dash":301,"data":[262,263,264,265,266,267,283,284,285,302,308,309],"data_dia":302,"datafram":[301,302,304],"datatyp":309,"de":[282,286,287,288,296],"de_broglie_wavelength":282,"debug":[97,139,172,284],"deby":306,"decid":[282,284],"deconstruct":306,"dedic":0,"def":[302,304,308,309],"default":[33,35,36,37,41,42,48,50,53,54,59,74,83,84,85,86,93,94,95,96,97,100,101,102,105,108,109,110,111,112,113,114,115,116,129,130,132,133,136,138,139,166,168,169,170,171,172,175,176,177,181,182,183,189,190,191,192,193,194,195,196,197,198,200,203,218,219,220,221,222,223,224,228,231,232,233,234,235,236,237,253,254,255,256,257,258,270,282,302,305,306,308],"defaultidealgascontribut":282,"defin":[270,282,283,284,285,287,294,297,302,305,306,308,309],"definit":[287,289,293,294,296],"degre":297,"delimit":[301,304],"delta":[62,68,286,287,288,289,290,292,293,294,297,298,302],"delta_":[286,289,293,296,297,305],"delta_ij":[302,308],"delv":270,"denomin":297,"denot":282,"dens":105,"densiti":[5,6,11,12,35,36,37,45,62,63,66,68,91,94,116,127,130,131,135,142,145,148,166,169,173,181,192,216,257,258,264,265,267,270,274,275,278,280,282,284,285,287,288,289,290,293,296,297,298,301,302,304,305,307,308,309],"density_initi":[173,302,304],"density_profil":131,"depend":[271,283,284,285,287,288,292,293,296,298,302,305,306,308],"deprec":308,"deprecationwarn":308,"deriv":[0,56,58,181,182,183,186,187,188,189,190,191,192,193,194,195,262,263,264,265,266,270,272,282,283,284,285,287,288,290,291,292,293,294,296,302,308],"describ":[149,155,287,288,297,299,306],"descript":[0,288,298,306],"desir":309,"desorpt":[6,7,12,13],"despin":[277,279,301,302,304,305],"detail":[64,282,284,289,293,296,298,304,308],"deterim":305,"determin":[7,13,37,284,287,290,292,294,297],"dev":304,"develop":[271,285,289,302],"deviat":304,"dew":[108,109,110,111,122,263,302],"df":305,"dft":[1,33,270,271,281,283,285,288,290,291,292,301],"dft_data":301,"dftsolver":[5,6,7,8,11,12,13,14,97,139,172,258],"dia":[258,302],"diagram":[106,108,109,110,111,112,113,114,116,258,272,303,307],"diamet":[61,62,63,65,66,67,68,82,298,306],"dict":[116,257,302],"dictionari":[116,257,302,305],"differ":[70,87,110,111,135,173,270,282,284,286,288,293,294,296,297,298,302,305,306,308,309],"differenti":[267,284,286,287,289,290,296,308],"difficulti":289,"diffus":[185,209,306],"diffusion_correl":282,"diffusion_refer":282,"dig":284,"dimens":[270,283,284,309],"dimension":[127,284,293],"dimensionless":[297,302,306,308],"dipol":[48,84,306],"dipolar":[0,306],"dippr_paramet":2,"dirac":289,"direct":[7,13,64,146,166,286,287,288,290,293,306,309],"disadvantag":287,"discord":269,"discret":301,"discuss":[282,283,284,285,286,287,301],"dispers":166,"display":282,"distanc":297,"distinct":289,"distinguish":297,"distribut":[289,305],"diverg":298,"divid":[284,297,309],"divis":[59,286,308,309],"dmu_dni":302,"dmu_dni_":284,"dn":284,"doc":281,"docstr":[302,305],"document":[281,282,284,309],"dodecan":306,"doe":[284,301,308],"domain":[131,133,258,301],"don":[269,282,284],"done":[284,286,287,302],"doubl":63,"doubt":301,"dp_dt":284,"dp_dt_":284,"dp_dv":284,"dp_dv_":284,"dq35":[48,84],"dq44":48,"dq_variant":[48,84],"dqvariant":84,"drastic":297,"dt":284,"dual":[270,282,283,289,290,294,302,307,310],"dual2_64":308,"dual3":282,"dual3_64":282,"dual64":[282,284,308],"dualnum":[282,284],"due":[285,287,293,296,297],"duhem":[286,287],"dummi":308,"dure":[285,289],"dv":284,"dvcs":309,"dyn":282,"dynam":[270,282,304],"e":[0,101,282,284,286,288,289,290,293,296,297,298,302,305,306,309],"e_i":134,"earlier":306,"easier":[282,301,308],"easiest":[284,306],"easili":302,"ecosystem":309,"effect":297,"efficaci":309,"effici":[258,292,293,294],"eigenvector":294,"either":[284,290,301,302,305],"electrolytepcsaftparamet":41,"eleg":287,"element":[294,297,308],"elementari":309,"eller":64,"els":[282,284,298,302,308,309],"enabl":[284,308,309],"encod":284,"end":[65,284,286,288,289,293,298],"energet":286,"energi":[0,1,5,6,7,8,11,12,13,14,46,47,52,61,62,63,64,66,67,68,80,82,83,84,85,86,93,94,95,109,129,130,136,146,166,168,169,170,173,175,176,177,181,182,183,189,190,191,192,193,194,195,196,197,198,200,203,218,219,220,221,222,223,224,228,230,231,232,233,234,235,236,237,253,254,255,256,270,271,283,285,286,287,288,289,290,292,293,294,296,298,300,302,304,306,307,308],"enforc":309,"english":306,"enhanc":306,"enough":301,"enrich":134,"ensur":[297,308],"enter":308,"enthalpi":[116,173,218,225,231,253,255,257,282,284,290,291,296,301,302,304,305],"enthalpy_of_vapor":302,"entir":[282,297],"entri":[282,305],"entropi":[94,116,130,169,173,184,185,195,209,213,214,219,226,232,242,243,249,250,254,256,257,270,282,286,287,296,301,302,303,305,306,307,308],"entropy_":284,"enum":[284,285],"eo":[0,2,108,109,110,111,112,113,114,115,119,120,121,122,123,124,125,126,173,178,179,180,201,202,239,270,273,275,276,277,278,284,302,306,308],"eos_python":302,"eos_rust":302,"eoserror":282,"eosunit":282,"ep":304,"epc":[41,270],"epcsaft_vari":41,"epsilon":166,"epsilon1_k_ss":63,"epsilon2_k_ss":63,"epsilon_k":[0,166,273,304,305,306],"epsilon_k_ab":[0,273,306],"epsilon_k_sf":[61,62],"epsilon_k_ss":[64,66,67,68,146,274],"eq":[286,287,288,289,290,293,296,297,304],"equal":[209,213,214,302],"equat":[38,40,41,42,43,46,47,48,49,50,51,52,53,54,59,108,110,111,112,113,114,115,119,120,121,122,123,124,125,126,173,178,179,180,201,202,239,262,263,264,265,266,267,270,271,274,282,283,284,285,286,287,289,290,291,292,293,294,296,297,298,301,305,307,308],"equation_of_st":282,"equationofst":[0,108,112,119,120,121,122,123,124,125,126,178,179,180,239,267,270,275,276,277,278,285,302,304,305,306,308],"equationofstatead":[0,262,263,264,265,266,273],"equilbria":302,"equilibr":301,"equilibria":[0,106,126,270,271,282,283,285,296,305],"equilibrium":[0,7,8,13,14,91,110,111,117,120,121,123,124,131,132,133,142,145,148,248,260,272,286,287,288,296,301,302,305],"equimolar":[132,133,258],"equiv":[293,297],"error":[173,270,289,302,308,309],"esper2023":274,"essenti":[288,289],"estim":[0,108,110,111,113,114,115,133,258,282,301],"et":[288,292,297,298],"eta":304,"eta_c":304,"etc":[285,308],"ethan":2,"euler":[286,289,290,291,292,293],"evalu":[5,6,11,12,142,145,148,166,282,284,289,290,293,294,296,308],"evaluate_properti":284,"evaluate_residu":282,"even":[282,286,289,297,305,308],"eventu":285,"everi":[7,13,201,262,263,264,265,266,282,285,288,293,297,306],"everyth":[284,304],"exact":[287,297,301,308],"exampl":[267,271,282,284,296,301,302,304,305,306,307,308,309],"except":[293,296,309],"excess":292,"exclud":[282,284],"execut":[293,308],"exhibit":109,"exist":[282,284],"exlud":298,"expand_dim":[0,273],"expans":[244,292,293,296,298],"expens":284,"experiment":[301,304],"explain":[291,295],"explan":[272,282,304,306],"explicit":[282,286,288,293],"explor":282,"expon":309,"export":[267,309],"express":[286,287,289,290,291,293,294,296,298],"ext":[61,62,63,65,66,67,68,286,288,290,293],"ext_pot":274,"extend":[0,285],"extens":[270,271],"extern":[60,140,142,145,146,148,166,285,288],"external_potenti":[142,145,148],"externalpotenti":[140,274],"extra":296,"extract":[301,305,306,308],"f":[270,284,286,287,288,289,290,292,293,297,298,302,304,305,306,309],"f64":[282,284],"f_":[286,288,289,293],"f_3":298,"f_t":286,"face":283,"facilit":289,"fact":[282,284],"factor":[241,245,286,287,296,302,308],"fail":[123,124,248],"fals":[35,36,37,96,97,105,132,133,138,139,171,172,258,279,301,302,304],"fashion":[282,306],"fast":[289,293],"faster":[293,301,302],"feasibl":293,"featur":[271,284,285,308],"feed":[112,124,248,308],"feedback":[301,306,309],"femto":309,"feo":[0,2,267,268,271,273,274,275,276,277,278,279,280,281,282,284,285,286,289,290,291,293,294,295,297,298,299,301,302,304,305,306,307,309,310],"ffis":285,"field":305,"fifth":297,"fig":[277,302,304,305],"figsiz":[277,301,302,304,305],"figur":301,"fike":284,"file":[27,74,75,89,100,101,151,157,163,268,282,284,285,301],"file_assoc":306,"file_binari":306,"file_dipolar":306,"file_na":306,"filterwarn":302,"final":[271,286,287,290,292,293],"find":[287,307,308],"first":[63,202,262,263,284,287,292,301,302,304,306,308],"fit":304,"fit_param":[0,273],"fix":[115,132,133,258,287,293],"fix_equimolar_surfac":[132,133,258],"flag":[271,285],"flash":[112,248],"flexibl":[282,302],"float":[5,6,7,8,11,12,13,14,35,36,37,41,42,45,48,50,53,54,55,56,57,58,59,61,62,63,64,65,66,67,68,82,83,84,85,86,96,103,108,109,110,111,113,114,115,116,120,121,122,123,124,138,140,142,145,146,148,166,171,173,177,178,179,180,199,201,204,209,213,214,239,240,241,248,257,262,263,264,265,266,284,302,306,308,309],"float64":217,"fluid":[61,62,64,68,140,146,166,270,274,287,288,290,298],"fmt":[83,84,85,86,282,298],"fmt_version":[82,83,84,85,86],"fmtversion":[82,83,84,85,86],"fn":[282,284],"focus":0,"folder":307,"follow":[0,271,284,285,286,287,288,289,294,297,298,302,305,306],"fontsiz":304,"fork":283,"form":[282,287,289,293,294,297,306,309],"formal":282,"format":[105,277,302,305,306],"formul":284,"formula":[87,304,306],"forward":[284,306],"found":[123,124,248,301,306,309],"foundat":285,"four":306,"fox":302,"frac":[61,62,63,65,66,67,68,277,280,282,284,286,287,288,289,290,292,293,294,296,297,298,302,304,305,308],"fraction":[41,42,48,50,53,54,59,83,84,85,86,120,121,173,217,284,296,298,302],"fragment":[77,161],"frame":304,"frameon":[301,302,304],"framework":270,"free":[64,173,270,293,302],"freedom":297,"frequenc":309,"from_json":[2,270,274,275,276,277,278,279,280,301,302,304,305,306],"from_json_seg":306,"from_json_smil":2,"from_multiple_json":306,"from_pdgt":[274,280],"from_record":306,"from_seg":[304,306],"from_shap":284,"from_shape_fn":284,"from_tanh":[280,301],"fugac":[186,187,188,210,211,284,296],"full":293,"fulli":[98,287,289],"function":[5,6,7,8,11,12,13,14,80,82,83,84,85,86,109,112,209,213,214,267,270,271,274,279,280,282,284,285,286,288,292,293,296,298,306,307,308,309],"fundament":[70,288,289,297],"furthermor":[284,305],"fuse":298,"futur":[0,308,309],"g":[0,101,282,284,286,296,298,302,306,309],"g_":297,"gamma":[279,288,289,292,301],"gamma_":296,"gamma_i":[137,296],"gamma_sl":274,"gamma_sv":274,"gamma_vl":274,"gas":[40,43,44,47,51,284,286,287,291,293,296,305,308,309],"gas_const":284,"gate":285,"gather":304,"gauss":297,"gc":[42,285,306],"gc_substanc":306,"gcparamet":[267,306],"gcpcsafteosparamet":42,"gcpcsaftfunctionalparamet":83,"general":[270,282,283,289,290,294,296,297,298,308],"generat":[105,302,304,306,308,309],"generic":[271,282,297],"geometri":[140,274,298],"german":293,"get":[282,284,288,301],"get_or_compute_deriv":284,"get_subset":282,"getter":[251,301,305,306],"ghz":309,"gibb":[137,198,220,286,287,296],"gibbs_energi":233,"git":271,"github":[269,271,283,285,301,306,307,309],"give":[282,286,287,302],"given":[5,6,7,11,12,13,45,96,110,111,120,121,122,124,138,142,145,148,171,173,201,239,258,282,284,288,293,301,302,305,306,308,309],"gmres":[36,293],"go":[302,308],"good":[285,301],"gradient":[262,263,264,265,266,291,297],"gram":[302,308,309],"grand":[288,292],"gravit":309,"grid":[64,91,131,132,133,140,146,166,258,301],"gridspec_kw":304,"gross":64,"gross2001":[305,306],"gross2002":[275,276,277,278,279,280,306],"gross2002_binari":306,"gross2006":306,"group":[42,72,83,161,267,268,270,285,304],"groupbi":304,"grueneisen":199,"gr\u00fcneisen":296,"gt":[306,308,309],"guess":[122,123,124,133,179,248,262,263],"guid":[270,296],"h":[284,287,296,297,302,305,308],"h1":306,"h1h2":306,"h1h4":306,"h2o":306,"h3":[304,306],"h5h":306,"h_":[290,296,297],"h_i":[287,290,296],"h_j":[287,290],"h_lv":305,"hand":[284,286,289,293,301,302,304],"handl":[267,270,282,284,296,306],"happen":306,"happi":270,"har":284,"hard":[54,65,82,86,299,305],"hard_spher":285,"has_unit":309,"hase":284,"hat":[286,288,289,293,297],"head":[301,302,304,305],"hear":270,"heat":[40,183,223,224,236,237,282,284,287,296,302,308],"heidemann":294,"helmholtz":[0,1,5,6,7,8,11,12,13,14,46,47,52,80,82,83,84,85,86,93,94,95,109,129,130,136,168,169,170,175,176,177,181,182,183,189,190,191,192,193,194,195,196,197,198,200,203,218,219,220,221,222,223,224,228,230,231,232,233,234,235,236,237,253,254,255,256,270,271,283,285,286,287,288,289,290,292,293,294,296,298,300,302,307,308],"helmholtz_energi":[282,284,302,308],"helmholtzenergyfunct":[5,6,7,8,11,12,13,14,267,274,279,280,285,301],"help":[291,295,299,301,306,309],"henc":[287,302,308],"henri":[201,202,290,296],"hesit":269,"hessian":[0,297],"hetero":285,"heteroazeotrop":[108,109],"heteroseg":[42,83,290],"heteroszeotrop":122,"hexan":[304,305,306],"hexane_nist":304,"high":[293,302,308],"higher":[283,293,308],"highest":[6,12],"hlv":305,"homo":306,"homogen":[288,298],"homoseg":[290,306],"hope":[284,301,306,309],"host":281,"hour":309,"howev":[0,290,293,296,297,306,308],"howeveri":306,"html":282,"https":[271,309],"huang":297,"hue":304,"hydrogen":297,"hyper":[270,282,283,294,302,308],"hyperbol":[133,301],"hyperdu":282,"hyperdual64":[282,308],"hyperfin":309,"i0":292,"i2":292,"i_":[288,293],"id1":[15,20],"id2":[15,20],"ideal":[40,43,44,47,51,284,286,287,288,291,293,296,305,308,309],"ideal_ga":[51,282],"ideal_gas_pressur":309,"idealga":284,"idealgascontribut":282,"idealgascontributiondu":282,"ident":[288,290,293],"identifi":[25,27,29,74,75,77,89,100,101,102,149,151,155,277,286,287,304,305,306],"identifier_opt":[27,74,100,101,102,151,306],"identifieropt":[27,74,100,101,102,151,270,306],"ig":[290,296],"ignor":302,"ii":[63,65,66,67,68,288,298],"iint":293,"ij":[286,292,294,296,297],"ik":286,"impl":284,"implemen":302,"implement":[0,1,2,51,52,270,271,282,283,284,285,288,289,290,291,293,294,296,297,298,299,301,303,304,306,307,308,309],"impli":293,"implicit":[0,286,288,297],"import":[0,2,270,273,274,275,276,277,278,279,280,282,284,285,287,301,302,305,306,308,309],"improv":[173,297,302],"inc_nonadd_term":[54,86],"inchi":[87,304,306],"incl":270,"includ":[0,54,86,201,271,272,282,284,287,293,296],"incom":287,"incompat":[302,308],"inconsist":309,"inconveni":[282,284],"incorpor":286,"independ":[286,308],"index":[91,116,257,282,287,288,297,302,309],"indic":[282,296,297,302],"individu":[76,77,78,106,155,251,282,288,297],"infer":[173,302],"influenc":[286,292],"inform":[25,72,282,284,302,308,309],"infti":[65,292,296],"inhomogen":[93,94,95,129,130,136,166,168,169,170,286,288,297,298],"init":302,"init_dens":258,"initi":[105,109,110,111,113,114,115,122,123,124,131,132,133,173,178,179,180,248,258,262,263,274,282,301,302,308],"initial_dens":[178,179,180,301],"initial_molefrac":179,"initial_st":[123,124,248],"initial_temperatur":[173,178,179,180,302],"inner":[108,109,110,111,120,121,122,284],"input":[0,101,173,262,263,264,265,266,273,284,289,297,301,302,305,306,308,309],"insert":293,"inspect":[302,306,308],"instal":[75,77,270],"instanc":[282,302,308],"instanci":302,"instanti":[304,306],"instati":306,"instead":[282,284,293,296,297,308,309],"int":[8,14,35,36,37,64,91,108,109,110,111,112,113,114,115,120,121,122,123,124,131,132,133,140,146,166,176,178,179,180,204,239,240,248,258,286,288,289,290,292,293,298,302,308],"int_":[292,297],"int_0":292,"integ":[41,42,48,53,83,84],"integr":[286,287,288,289,290,292,293,297],"intens":[286,287],"inter":309,"interact":[0,15,20,61,62,64,68,102,103,140,146,166,268,284,290,297,302,308],"interest":[282,284,285,301],"interfac":[0,127,131,132,133,267,270,271,283,285,301,309],"interfaci":[134,135,270,274],"interfacial_tens":274,"intermedi":[305,306],"intern":[95,136,170,173,203,222,287,288,296,301,302,304,308,309],"internal_energi":235,"intramolecular":[290,296],"intrins":[286,288],"introduc":[284,288,289,292,293,294,297,308],"introduct":287,"invers":282,"involv":[284,306,308],"io":309,"ipykernel_216511":308,"isenthalp":[205,296],"isentrop":296,"isentropi":206,"isinst":308,"isobar":[223,236,296],"isochor":[183,224,237,287,296],"isoster":287,"isotherm":[3,5,6,7,9,11,12,13,207,270,271,296],"issu":[269,282,285,301,306,309],"iter":[8,14,35,36,37,41,42,48,53,83,84,108,109,110,111,113,114,115,120,121,122,123,124,131,173,178,179,180,204,239,240,248,282,284,288,292,301,302,305,308],"iterrow":304,"itt":309,"iupac_nam":[87,304,306],"iupacnam":306,"j":[64,137,284,293,297,301,302,304,308,309],"j0":292,"j2":292,"jacobian":[0,293],"jeffrey":284,"joback_paramet":2,"join":269,"jone":[61,66,67,306],"joul":[208,284,296,301,302,304,305,308],"joule_thomson":[284,308],"js":309,"json":[2,27,28,30,74,75,100,101,105,151,157,163,164,165,268,270,274,275,276,277,278,279,280,301,302,304],"jt":[284,296,308],"jupyt":[306,307],"just":[284,286,287,302,306,308,309],"k":[116,257,258,262,263,264,265,266,270,275,276,277,278,279,280,293,297,298,301,302,305,308,309],"k_":[286,290,297,298],"k_b":282,"k_ij":[0,273,306],"kappa":[297,302,308],"kappa_":296,"kappa_ab":[0,273,306],"kappa_h":296,"kappa_t":296,"kb":[166,308,309],"kcd":309,"keep":308,"kelvin":[166,274,276,277,278,279,280,284,301,302,304,305,306,308,309],"kept":297,"kessler":298,"key":[2,116,257,302],"keyword":[173,282,302],"kg":[116,257,277,302,305,308,309],"khalil":294,"kierlik":298,"kierlikrosinberg":298,"kilo":[301,302,305,309],"kilogram":[277,305,309],"kind":297,"kinet":296,"kj":[116,257,301,302,304,305],"kmol":[264,265,275,278,280,301,302,305],"know":[287,301,306,308,309],"known":[284,288],"kpa":[276,302,308,309],"kroneck":297,"kt":308,"l":[287,292,296,297,301],"l_grid":[131,133,258,301],"label":[301,302],"lafitt":297,"lagrang":[286,289,290,291,292,293],"lambda":[282,288,302,304],"lambda_1":294,"lambda_i":[282,286,288,296],"languag":[285,296],"larg":[293,301],"last":[289,309],"latent":287,"later":[287,301],"latest":271,"law":[201,202,296],"layer":284,"lbrace":[286,289,292,296],"ldot":[292,293,298],"lead":[286,287,288,293,294],"learn":[282,283,285,301,304,305,306,308,309],"least":306,"leav":287,"left":[61,62,63,65,66,67,68,282,284,286,287,288,289,290,292,293,294,296,297,298,304,308],"leftmost":284,"legend":[301,302,304],"legendr":297,"legwork":284,"leland":298,"len":[282,302,308],"lenght":[302,308],"length":[166,288,305,309],"lennard":[61,66,67,306],"leq":65,"less":[297,302],"let":[270,282,284,301,302,306,308,309],"level":[33,260],"librari":[283,285,306,309],"light":309,"like":[271,284,285,287,289,293,296,302,306,308,309],"lim_":296,"limit":[8,14,110,111,112,113,114,115,282,284,285,290,294,297,298,301],"lin":304,"line":[37,110,111,115,287,309],"linear":[286,287,293,296],"lineplot":[277,279,301,302,304,305],"linestyl":301,"link":297,"linspac":[0,273,302,309],"linux":285,"liquid":[110,111,112,116,120,121,122,123,124,126,127,173,264,265,267,274,277,279,282,287,301,302,304,305],"liquid_density_deriv":273,"liquid_molefrac":[120,121,302],"liquid_profil":274,"list":[0,27,74,75,76,77,100,101,102,103,106,116,119,122,125,126,151,157,163,176,180,229,230,240,251,257,258,262,263,264,265,266,301,302,304,305,306,308],"literatur":[301,304],"littl":0,"lj93":274,"ll":[284,285,308],"lle":109,"lm":309,"ln":[282,286,287,288,293,296,297,298,304],"ln_lambda3":308,"ln_viscosity_reduc":304,"load":[287,301],"local":292,"locat":297,"loetgerin":304,"loetgeringlin2018":304,"log":[35,36,37,96,138,171,277,302,304,305,308],"logarithm":[35,36,37,96,138,171,186,187,188,209,210,211,212,213,214,282,288,293,296,304],"logspac":309,"long":[112,282],"look":[272,282,284,302,305,306,308,309],"loop":[108,109,110,111,120,121,122,304],"lot":282,"low":[293,302],"lower":[8,14,110,111,112,113,114,115,173,297,302],"lowest":[5,11],"lt":[306,308,309],"lumin":309,"lv":[302,305],"m":[0,273,277,279,280,294,296,301,304,305,306,309],"m3":304,"m_":[288,290,293,294,298],"m_gc":304,"m_i":[62,63,66,68,286,288,296,297],"m_ik_":286,"m_ix_i":286,"m_j":297,"machin":308,"maco":285,"macro":285,"made":282,"main":[271,284],"major":[289,292],"make":[271,282,284,288,301,308,309],"manag":306,"mandatori":306,"mani":296,"mansoori":298,"manual":268,"map":282,"mapv":[282,284],"mard":304,"markdown":306,"mass":[116,216,217,231,232,233,234,235,236,237,246,255,256,257,270,282,296,302,305,309],"mass_dens":[277,302],"massiv":0,"match":[89,116,257,284,285,302,306,309],"math":309,"mathbf":[284,286,290,292,298,302,308],"mathcal":[286,293,296],"mathemat":[282,283,284,288,308],"mathrm":[61,62,63,65,66,67,68,280,282,286,287,288,289,290,292,293,296,297,298,302,305,308,309],"matplotlib":[277,279,301,302,304,305],"matric":[297,302],"matrix":[284,293,294,297,306],"max":161,"max_dens":[302,308],"max_eta":[41,42,48,50,53,54,59,83,84,85,86],"max_it":[8,14,35,36,37,113,114,115,122,123,124,178,179,180,204,239,240,248,305],"max_iter_bd_inn":122,"max_iter_bd_out":122,"max_iter_cross_assoc":[41,42,48,53,83,84],"max_iter_gmr":36,"max_iter_inn":[108,109,110,111,120,121],"max_iter_out":[108,109,110,111,120,121],"max_tp":112,"maximum":[8,14,35,36,37,41,42,45,48,50,53,54,59,83,84,85,86,108,109,110,111,113,114,115,120,121,122,123,124,140,146,166,173,178,179,180,204,239,240,248,282,302,305],"maxwel":287,"may":[270,305,306],"mean":[297,304,308],"meant":282,"measur":[70,287,289,296,297],"mechan":[296,305],"media":290,"medium":287,"mega":[304,309],"mention":284,"mere":305,"metast":[5,6,11,12],"meter":[277,279,301,309],"methan":[2,101,306],"methanol":[101,270,274,275,276,277,278,279,280],"method":[3,9,15,20,25,31,33,38,51,52,60,70,72,78,80,87,89,91,98,106,117,127,140,143,146,149,155,161,166,173,251,258,260,270,282,284,285,289,294,297,301,302,309],"michelsen":[294,297],"mie":[53,54,59,86,270],"might":[282,284,306],"milli":279,"million":0,"min":[63,309],"min_temperatur":[110,111,113,114,115,305],"min_tp":112,"minimum":[109,288,305],"minor":[284,308],"minut":309,"miss":284,"mix":[35,270,308],"mixtu":298,"mixtur":[0,5,6,7,8,11,12,13,14,45,55,56,57,58,98,106,109,110,111,115,122,173,211,262,263,270,282,298],"mmax":35,"mmol":305,"mn":[279,280],"mod":284,"model":[0,40,44,47,51,52,72,140,262,263,264,265,266,268,271,274,282,284,285,288,289,290,293,295,296,297,298,301,305,306],"model_record":[304,306],"modifi":[284,288,308],"modul":[271,285],"moecul":288,"mol":[116,257,278,280,301,302,304,305,308,309],"mol_m3":309,"molar":[116,173,178,218,219,220,221,222,223,224,225,226,227,239,247,253,254,257,270,282,286,287,294,296,302,304,305,306,308,309],"molar_enthalpi":[173,302],"molar_entropi":[173,302,304,308],"molar_helmholtz_energi":308,"molar_internal_energi":[173,302],"molar_weight":[282,302,308],"molarweight":[149,155,304,305,306],"mole":[112,120,121,173,282,284,294,296,302],"molecul":[25,77,161,290,297,302,306],"molecular":288,"molefrac":[0,5,6,7,8,11,12,13,14,45,55,56,57,58,110,111,115,122,173,178,201,239,273,284,302,308],"molefract":[108,109,116,257,302],"molk":308,"mollerup":294,"moment":306,"motiv":282,"mpa":[270,301,302,304,309],"ms":[0,273,301,308],"mu":[0,273,288,292,306],"mu_":[284,296,308],"mu_i":[286,287,288,296],"mu_j":[286,287,290],"mu_k":[286,287],"much":308,"multidimension":283,"multiparamet":[47,270],"multipl":[282,284,285,288,293,297,301,302,305,308],"multipli":[284,287,309],"must":[282,302,308,309],"mw":[296,302,304,308],"myequationofst":302,"m\u00b3":[116,257,264,265,275,278,280,301,302,305,309],"n":[0,166,273,284,287,292,296,297,301,302,308,309],"n_":[289,290,292,293,298,302],"n_0":[297,298],"n_1":298,"n_1n_2":298,"n_2":[297,298],"n_2n_":298,"n_3":[297,298],"n_grid":[64,91,131,132,133,140,143,146,166,258,279,301],"n_grind":301,"n_i":[282,284,287,290,294,296,308],"n_imw_i":296,"n_j":[287,294,296],"n_k":[286,287,296,298],"n_s":282,"na":[0,273,306],"nabla":292,"naiv":301,"name":[74,87,100,101,102,116,257,262,263,264,265,266,270,277,296,302,304,305,306],"nanopor":270,"natur":[286,297,302,308],"nav":[302,308,309],"nb":[0,273,306],"ndarray":[5,6,7,8,11,12,13,14,45,55,56,57,58,61,62,64,82,96,110,111,115,120,121,134,138,142,145,146,148,166,171,173,178,201,210,211,212,217,239,245,262,263,264,265,266,283,302,308,309],"ndim":308,"necessari":[51,52,110,111,113,114,115,292,294,309],"need":[269,270,282,283,284,285,288,289,293,301,302,305,306],"neglect":[287,293],"neq":[288,289,290,293],"never":270,"new":[112,270,282,289,293,302,308],"new_binari":306,"new_nvt":284,"new_pur":[304,306],"newton":[279,286,297,301],"next":[284,289,301,305,308],"nice":[301,302,306],"nm":[301,309],"nmw":296,"non":[54,86,97,139,172,282,284,288,292,298,302,306,308],"non_volatile_compon":[124,248],"none":[5,6,7,8,11,12,13,14,25,33,35,36,37,55,56,57,58,62,64,68,75,76,77,87,97,108,109,110,111,112,113,114,115,120,121,122,123,124,132,133,139,140,142,145,146,148,161,166,172,173,178,179,180,204,239,240,248,258,270,301,302,308],"nonexist":297,"nonlinear":288,"nonsens":284,"notabl":283,"notat":286,"note":[116,257,282,284,290,297,302,305,306,308],"notebook":[306,307,308],"noteboook":308,"notic":308,"now":[282,284,292,297,301,302,305,308],"np":[0,45,55,56,57,58,110,111,115,178,201,239,262,263,264,265,266,273,274,301,302,304,305,308,309],"npoint":[108,110,111,112,113,114,115,302,305],"npoints_ll":109,"npoints_vl":109,"nrt":296,"nthread":113,"nu":293,"num":[283,284],"number":[8,14,35,36,37,41,42,48,53,64,83,84,91,108,109,110,111,112,113,114,115,120,121,122,123,124,131,132,133,135,140,146,166,178,179,180,204,239,240,248,258,270,282,283,287,288,289,290,294,296,297,301,302,305,306,307,309,310],"numer":[0,286,288,293,298,305,308,309],"numpi":[0,5,6,7,8,11,12,13,14,61,62,64,82,96,120,121,134,138,142,145,146,148,166,171,173,210,211,212,217,245,273,274,301,302,304,305,308],"o":306,"object":[2,35,36,37,75,77,180,282,284,285,301,304,308,309],"observ":[293,301],"obtain":[282,287,288,289,290,293,301],"occur":[308,309],"odd":289,"offer":[285,306],"offset":[277,279,301,305],"often":[282,286,287,298],"oh":306,"ol":306,"old":[35,258,293],"omega":[287,288,289,302,308],"omega_":[286,288,289,290,292,293],"omega_0":298,"omega_1":298,"omega_2":298,"omega_3":298,"omega_k":298,"omit":[270,282,284],"onc":[2,7,13,282,284,293,302,305,306],"one":[7,13,127,282,284,285,289,296,297,306,308,309],"onli":[0,43,178,239,271,284,286,287,288,290,293,296,297,298,309],"opart":308,"open":[269,285,301,306,309],"oper":[283,284,293,296,308],"optim":[293,297],"option":[5,6,7,8,11,12,13,14,33,35,36,37,41,42,45,48,50,53,54,55,56,57,58,59,62,64,68,74,75,76,77,83,84,85,86,93,94,95,96,97,100,101,102,103,108,109,110,111,112,113,114,115,116,120,121,122,123,124,129,130,132,133,136,138,139,140,142,145,146,148,166,168,169,170,171,172,173,175,176,177,178,179,180,181,182,183,189,190,191,192,193,194,195,196,197,198,200,203,204,218,219,220,221,222,223,224,228,231,232,233,234,235,236,237,239,240,248,253,254,255,256,257,258,271,302,305,306,308],"order":[0,116,257,273,283,284,292,293,297,302,306,308],"org":271,"origin":[292,293,298,306],"orthoromb":146,"outer":[108,109,110,111,120,121,122],"outlin":293,"output":[260,284,308],"outsid":285,"overestim":301,"overhead":[290,302],"overload":284,"overview":309,"overwrit":282,"overwritten":282,"ownership":285,"oxidan":306,"p":[270,277,284,286,287,290,292,293,294,296,302,304,305,308,309],"p1":309,"p2":309,"p_":290,"p_max":[8,14],"p_min":[8,14],"p_s":296,"p_sat":305,"pa":[116,257,262,263,265,266,277,302,304,305,309],"pack":[41,42,48,50,53,54,59,83,84,85,86,298],"packag":[267,309],"page":285,"palett":[277,279,305],"panda":[277,279,301,302,304],"paper":284,"paradigm":296,"parallel":[0,113],"paramet":[0,2,5,6,7,8,11,12,13,14,15,20,27,33,35,36,37,40,41,42,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67,68,72,74,75,76,77,82,83,84,85,86,89,91,93,94,95,96,97,106,108,109,110,111,112,113,114,115,116,119,120,121,122,123,124,125,126,129,130,131,132,133,136,138,139,140,142,145,146,148,149,151,155,157,163,166,168,169,170,171,172,173,175,176,177,178,179,180,181,182,183,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,218,219,220,221,222,223,224,228,231,232,233,234,235,236,237,239,240,248,251,253,254,255,256,257,258,262,263,264,265,266,267,270,273,274,275,276,277,278,279,280,282,284,288,292,293,296,297,302,303,307,308],"parameter":284,"parameter_nam":[262,263,264,265,266],"parameters_gc":304,"parametr":[40,44,72,297],"pariti":289,"part":[284,285,286,287,288,289,292,293,308,309],"partial":[173,181,182,191,192,193,194,225,226,227,283,284,286,287,289,290,292,293,294,296,302,308],"partial_dens":[173,282,284,302],"partialderiv":284,"particl":[91,284,287,296],"particular":[285,297],"pascal":[277,302,304,308,309],"pass":[285,308],"path":[27,74,75,100,101,151,157,163,286,306],"pattern":285,"pc":[0,41,42,48,53,83,84,270,271,285,288,298,300,302,306,307,308],"pc_saft_paramet":2,"pcsaft":[2,270,271,274,275,276,277,278,279,280,285,301,304,306],"pcsaft_group_paramet":2,"pcsaftful":[0,273],"pcsaftnonassoc":[0,273],"pcsaftparamet":[48,84,306],"pcsaftrecord":306,"pd":[277,279,301,302,304,305],"pdgt":[132,292],"peng":[49,302,308],"peng_robinson":302,"pengrobinson":282,"pengrobinsonparamet":49,"per":[282,284,292,302],"percent":304,"perform":[0,204,240,282,283,284,292,297,302,308,309],"permut":282,"perturb":59,"pet":[270,285],"petsparamet":[50,85],"phase":[0,7,8,13,14,106,108,109,110,111,112,113,114,116,117,120,121,123,124,131,132,133,173,248,258,260,270,271,280,282,283,285,286,287,296,301,303,304,307],"phase_diagram":[277,279,305],"phase_equilibria":106,"phase_plot":302,"phasediagram":[277,279,301,302],"phasediagramhetero":109,"phasediagrampur":305,"phaseequilbrium":302,"phaseequilibrium":[2,106,131,132,133,248,258,274,276,278,280,301,302],"phi":[292,296],"physic":[284,297,305,306,309],"pi":[62,63,66,68,292,297,298],"picard":[37,288],"pick":[282,301],"pip":271,"place":[97,139,172,284,285],"plan":0,"planar":[131,132,133,301],"planarinterfac":[274,280,301],"planck":309,"pleas":[301,306,309],"plot":[301,302],"plt":[277,279,301,302,304,305],"plugin":285,"plus":[284,308],"point":[0,64,91,108,109,110,111,112,113,114,115,122,131,132,133,140,146,166,258,262,263,264,265,266,270,282,284,285,286,287,288,289,293,295,301,305,306,308,309],"pointer":[282,284,285],"pore":[3,5,6,7,8,9,11,12,13,14,64,140,142,145,146,148,274],"pore1d":274,"pore_cent":64,"pore_s":140,"poreprofile1d":142,"poreprofile2d":145,"poreprofile3d":148,"porous":290,"pose":288,"posit":[64,146,294,297],"possibl":[31,282,284,288,302,305,306],"potenti":[59,60,61,62,63,64,65,66,67,68,140,142,145,146,148,166,175,176,189,190,284,285,286,287,288,292,296,302],"potential_cutoff":[140,146,166],"power":309,"pr":[49,302],"practic":[282,286,287,289,297],"precis":[282,308],"predefin":306,"predict":[0,291],"presenc":288,"present":[290,306],"pressur":[0,5,6,7,8,11,12,13,14,108,112,116,119,120,121,122,123,124,125,126,173,181,182,187,191,192,193,194,211,229,248,257,262,263,265,266,270,272,277,282,284,286,287,296,301,302,304,305,308,309],"pressure_":284,"pretti":[105,285],"previous":[287,290,293],"primarili":285,"principl":[295,306,308],"print":[270,302,304,305,306,308,309],"println":270,"prior":[301,305],"problem":[282,288,297],"problemat":287,"procedur":[284,285,302],"process":[0,287],"prod_":[288,290,293],"produc":[282,284],"profil":[5,6,7,11,12,13,35,36,37,91,96,97,127,131,138,139,142,145,148,166,171,172,258,274,287,288,289,290,291,292,293,298,301],"program":285,"project":293,"prone":289,"propan":[101,302,306,308],"proper":[284,309],"properti":[2,91,116,166,251,257,267,270,271,282,286,287,291,295,304,305,306,309],"propos":[297,298],"prototyp":302,"provid":[37,97,109,131,139,172,173,251,271,282,284,285,292,296,297,298,301,302,305,306,309],"ps":309,"ps_mpa":309,"ps_np":309,"ps_si":309,"pseudocod":293,"pub":[282,284],"public":[289,292,298,306],"publish":[297,306],"pull":308,"pure":[0,74,76,85,100,102,103,104,105,106,113,119,125,126,149,178,180,211,239,268,270,272,274,282,283,287,292,296,297,301,302,303,307],"pure_path":[74,100,275,276,277,278,279,280,306],"pure_record":[102,103,104,277,304,305],"purerecord":[102,103,104,304],"purpos":297,"pv":[287,292,296],"py":308,"pydual2_64":308,"pydual64":308,"pyhyperdual64":308,"pyo3":[283,285],"pypengrobinson":[302,308],"pyperfectga":308,"pypi":271,"pyplot":[277,279,301,302,304,305],"python":[0,51,52,270,271,283,285,296,303,305,307,308,309],"python_ideal_ga":308,"python_residu":[302,308],"q":[287,293,306],"q_":293,"qe":309,"quadrat":294,"quadratur":297,"quadrupol":[48,84,306],"quadrupolar":306,"qualifi":282,"quantiti":[270,271,283,284,288,297],"quantityarray":284,"quantityarray1":[282,284],"quantityarray2":284,"quantityscalar":[282,284],"quantum":270,"queri":306,"question":[270,284],"quick":[284,293,302],"quit":302,"r":[181,182,183,186,187,188,189,190,191,192,193,194,262,263,264,265,266,277,279,284,286,287,288,289,290,292,293,296,297,298,301,302,304,305,308],"r_c":297,"r_d":297,"radian":274,"radius":[140,146,166],"radosz":297,"rais":[123,124,173,248,302,308,309],"rang":[5,6,7,11,12,13,112,284,297,302,308],"rapid":[286,290],"rare":297,"rate":293,"rather":[287,297,308],"rbrace":[286,289,292,296],"rc":[282,284,285],"rdkit":[75,77],"re":[282,308],"reach":288,"read":[27,89,151,157,163,268,282,292,304],"read_csv":[301,304],"readabl":[284,309],"readili":[284,286,301,305],"real":[284,289,308,309],"rearrang":288,"reason":[286,293],"recast":288,"recent":309,"recip":270,"recogn":308,"recommend":309,"record":[27,28,30,75,76,77,102,103,104,105,151,157,163,164,165,306],"recurr":288,"recurs":[288,293],"redistribut":288,"reduc":[166,209,213,214,282,284,285,286,292,293,297,298,304],"reduced_mol":284,"reduced_temperatur":284,"reduced_volum":284,"refcel":284,"refer":[0,54,86,185,243,250,282,284,287,288,289,296,297,298,304],"refin":293,"reformul":293,"regard":308,"regim":290,"region":[112,301],"regist":[302,308],"regular":[268,304,306,308],"rehner":[288,292],"rehner2020":301,"reid":44,"rel":304,"rel_dev":302,"relat":[137,286,288,289,291,304],"remain":[287,297],"remedi":287,"repeat":[293,302],"replac":[286,287],"repositori":[283,285,298,306,307],"repositoy":306,"repres":309,"represent":[306,309],"requir":[75,77,140,146,161,282,288,289,293,296,297,306],"res":[282,284,286,288,289,290,293,296,304],"residu":[52,230,284,286,288,289,290,292,293,302,304,305],"residualp":284,"resolv":288,"respect":[0,56,58,101,137,195,282,284,286,287,293,297,301,305,306,308,309],"result":[0,5,6,11,12,106,110,111,173,258,282,284,287,288,292,301,302,304,305,306,308,309],"retriev":[284,306],"return":[5,6,7,8,11,12,13,14,27,33,35,36,37,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67,68,82,83,84,85,86,91,93,94,95,96,97,105,106,108,109,110,111,112,113,114,115,116,119,120,121,123,124,125,126,129,130,131,132,133,134,135,136,137,138,139,140,142,145,146,148,151,157,163,166,168,169,170,171,172,173,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,253,254,255,256,257,258,262,263,264,265,266,276,282,284,301,302,304,306,308,309],"reus":[298,301],"revis":41,"rewrit":286,"rewritten":[286,289,293,297],"rgas":[302,304,308,309],"rho":[277,284,288,289,292,293,294,296,297,301,302,305,308],"rho_":[62,63,66,68,274,288,289,290,293,297,298],"rho_1":294,"rho_2":294,"rho_a":297,"rho_b":297,"rho_c":297,"rho_i":[282,284,286,288,290,292],"rho_j":[286,292],"rho_k":286,"rho_km_kd_k":297,"rhs":293,"right":[61,62,63,65,66,67,68,282,284,286,287,288,289,290,292,293,294,296,297,298,304,308],"rightarrow":308,"rigid":302,"robinson":[49,302,308],"robust":[270,297],"root":[267,293,297,309],"rosenfeld":298,"rosinberg":298,"roth":298,"routin":285,"row":[301,304],"rs":[281,282,284],"rt":[282,287,296],"rule":[48,62,84,297,306],"run":[284,285,301,308],"runtim":308,"runtimeerror":[123,124,248,309],"rust":[0,270,271,281,283,284,285,296,308],"s":[0,17,22,27,151,152,157,158,163,201,202,216,246,271,273,274,282,283,284,285,286,287,289,290,291,293,294,295,297,298,299,301,302,304,308,309],"s3":304,"s_":304,"s_cp":302,"s_i":[286,287,296],"s_j":287,"s_pt":302,"s_res":282,"safe":282,"saft":[0,41,42,48,53,54,83,84,86,109,270,271,285,288,298,300,306,307],"saft_gc":304,"saftfunct":109,"saftvrmieparamet":53,"saftvrqmieparamet":[54,86],"sake":308,"sat":[287,296],"satur":[264,277,304,305],"sauer2014_homo":306,"save":[142,145,148],"saw":284,"say":308,"scal":289,"scalar":[283,284,289,308,309],"scale":[184,185,209,213,214,242,243,249,250,258,270,282,296,303,306,307],"scatterplot":[279,301,304],"scheme":[297,301],"scope":282,"scratch":282,"screen":[305,308],"seaborn":[277,279,301,302,304,305],"search":[37,74,100,101,102,293],"second":[0,55,56,63,181,182,202,284,292,293,294,296,304,306,308,309],"section":[0,272,283,286,289,291,292,295,299,308],"see":[0,64,272,282,284,290,292,297,301,305],"seen":[284,306],"segment":[20,25,27,63,65,66,67,68,72,74,75,76,77,151,155,157,161,285,288,290,297,298,304,306],"segment_record":[76,77,304,306],"segmentrecord":[27,76,77,151,304,306],"segments_path":[74,75,306],"select":257,"self":[282,284,297,302,308],"semi":294,"sens":284,"sensibl":287,"sensit":301,"separ":[124,271,285,296,297],"sequenc":[113,305],"server":269,"set":[33,83,84,85,98,274,284,288,293,302,304,305,308],"set_context":[277,279,301,302,304,305],"set_palett":[277,279,301,302,304,305],"set_styl":[277,279,301,302,304,305],"set_titl":[277,305],"set_xlabel":[277,302,304,305],"set_xlim":[277,302,305],"set_ylabel":[277,302,304,305],"set_ylim":[277,302,305],"set_yscal":[277,305],"seven":309,"sever":[288,302,309],"sfts":301,"shall":258,"shape":[273,284,289,302,308],"share":282,"shift":304,"short":[272,285,288,297,308],"shorten":286,"show":[286,288,297,298,305,306],"shown":[282,286,288,289,306],"si":[61,62,63,65,66,67,68,271,274,276,277,278,279,280,301,302,304,305,307,308,310],"si_unit":[274,276,277,278,279,280,301,302,304,305,308,309],"siarray":[94,130,169,309],"siarray1":[5,6,7,11,12,13,112,124,173,175,187,188,190,191,201,202,215,225,226,227,253,254,255,256,302,308],"siarray2":[64,131,137,142,166,186,189],"siarray3":145,"siarray4":148,"side":[286,293],"sigma":[0,82,166,273,296,297,304,305,306],"sigma_":[61,62,63,65,66,67,68,297,298],"sigma_i":297,"sigma_j":297,"sigma_k":297,"sigma_sf":[61,62],"sigma_ss":[63,64,65,66,67,68,146,274],"signal":284,"signatur":[284,302],"similar":[0,284,286,287,288,293,302,306,308],"simpl":[67,282,287,289,293,297,308],"simplest":288,"simpli":[284,302,306,308,309],"simplif":[85,292],"simplifi":[284,286,287,288,290,292,293,296],"simultan":[284,308],"sinc":[282,284,306,308],"singl":[282,288,294,297,308],"sinumb":[5,6,7,8,11,12,13,14,45,55,56,57,58,64,91,93,95,108,109,110,111,112,113,114,115,119,120,121,122,123,124,125,126,129,131,133,135,136,140,146,166,168,170,173,176,178,179,180,181,182,183,184,185,192,193,194,195,196,197,198,200,201,202,203,205,206,207,208,216,218,219,220,221,222,223,224,228,229,230,231,232,233,234,235,236,237,238,239,242,243,244,246,247,249,250,258,302,309],"siobject":[302,308,309],"site":[64,146,166],"situat":284,"size":[37,64,146,166,258,293,302,308],"slice":282,"slight":[288,296],"slit":140,"slope":287,"slower":302,"small":[284,297,298],"smaller":297,"smallest":294,"smart":[2,29,75,77,161,163,285],"smarts_path":75,"smarts_record":77,"smartsrecord":77,"smile":[75,77,87,304,306],"snippet":272,"sns":[277,279,301,302,304,305],"solid":[61,62,63,64,65,66,67,68,146,274],"solut":[35,108,109,110,111,113,114,115,120,121,122,123,124,166,178,179,180,201,202,204,239,240,248,282,286,293],"solv":[274,280,286,288,293,297,301],"solvat":[267,270],"solvent":[166,201,202],"solver":[0,5,6,7,8,11,12,13,14,33,35,36,37,97,139,172,258,260,286,291,292],"somehow":282,"someth":[270,284,293],"sometim":[287,306],"sort":297,"sound":[238,296,301,304],"sourc":[284,304],"spd":[301,304],"speci":284,"special":284,"specif":[0,82,83,84,85,86,116,231,232,233,234,235,236,237,255,256,257,268,270,272,282,284,285,294,296,297,302,304,305,306],"specifi":[140,146,173,284,293,294,302,306],"specific_enthalpi":305,"sped":293,"speed":[123,124,238,248,296,305,308,309],"speric":298,"sphere":[54,82,86,289,299],"spheric":[140,289,290,292],"spinod":294,"split":[282,286,287,288,289,292,297,306],"sqrt":[63,66,67,68,292,294,296,297,302,304,308,309],"sqrt2":[302,308],"squar":[297,309],"src":[282,284],"ss":[63,65,66,67,68],"st_diagram":279,"stabil":[7,13,204,240,270,293,295],"stabl":[7,13,204,240,294,301],"stack":[0,273],"standalon":285,"standard":[289,309],"starl":298,"start":[5,6,11,12,120,121,282,285,287,305,306],"state":[38,41,42,43,46,47,48,49,50,51,52,53,54,59,91,108,110,111,112,113,114,115,116,117,119,120,121,122,123,124,125,126,142,145,148,166,251,257,258,262,263,264,265,266,267,270,271,274,275,279,282,283,285,287,290,294,296,298,301,307,308,309],"state_hd":284,"state_p":284,"statehd":[282,302,308],"statement":308,"statevec":305,"static":[5,6,7,8,11,12,13,14,17,22,27,28,29,41,42,43,46,48,49,50,52,53,54,59,61,62,63,64,65,66,67,68,74,75,76,77,82,83,84,85,86,100,101,102,103,104,108,109,110,111,112,113,114,115,119,120,121,122,123,124,125,126,131,132,133,151,152,157,158,163,164,178,179,180,201,202,239,296],"statist":296,"status":[262,263,264,265,266],"steel":62,"step":[37,289,293,301,306,308],"still":[284,287,291,295,299],"storag":282,"store":[282,284,301,302,306,309],"str":[27,74,75,77,100,101,105,116,151,157,163,176,229,230,257,302,306],"straight":[284,306],"straightforward":[290,296,297],"stream":287,"string":[28,30,105,164,165,262,263,264,265,266,306],"struct":[97,139,172,282,285,306],"structur":[2,3,9,241,258,282,283,296,306],"studi":293,"studio":285,"style":305,"su_i":294,"sub":284,"subclass":302,"subplot":[277,302,304,305],"subset":[0,282,284,302,308],"substanc":[0,27,45,74,100,101,123,124,151,173,180,186,189,191,211,270,272,273,282,284,296,297,301,302,303,307,308,309],"subsystem":293,"subtract":309,"suffic":308,"suffici":[282,284],"suggest":293,"suitabl":[8,14],"sum":[282,284,289,302,306,308],"sum_":[288,289,292,293,294,297,298],"sum_i":[282,284,287,288,292,296],"sum_im_i":[286,296],"sum_in_":292,"sum_in_i":[284,296],"sum_ix_i":287,"sum_ix_imw_i":296,"sum_j":[286,287,290],"sum_k":297,"supertrait":282,"suppli":306,"support":309,"sure":301,"surf":301,"surfac":[132,133,258,272,274,289,292,300,307],"surface_tens":[274,279,280,301],"surface_tension_pdgt":280,"surface_tension_tanh":280,"surfacetensiondiagram":279,"surround":166,"switch":283,"symmetr":[212,287,289,292,296],"sys":[0,273,301],"system":[5,6,7,8,11,12,13,14,82,91,93,94,95,103,119,120,121,122,123,124,125,126,129,130,132,133,136,168,169,170,179,180,202,215,216,246,258,270,282,284,285,286,287,288,293,297,302,305,306,309],"system_s":[64,143,146,166],"s\u00b2":309,"t":[55,56,57,58,181,182,183,186,187,188,189,190,191,192,193,194,262,263,264,265,266,269,270,277,279,282,284,286,287,288,289,290,294,296,297,298,301,302,305,306,308,309],"t_c":309,"tabl":[296,298,306],"tag":289,"take":[282,284,301,305,306,308,309],"taken":289,"talk":[277,279,284,301,302,304,305,308],"tangent":[133,301],"target":309,"task":[272,285,301,302],"taylor":[292,293,298],"tc":[302,308],"technic":284,"temperatur":[0,5,6,7,8,11,12,13,14,55,56,57,58,108,109,110,111,112,113,114,115,116,119,120,121,122,123,124,125,126,133,173,178,179,180,183,188,190,193,195,201,202,211,239,257,258,262,263,264,265,266,270,272,273,275,277,278,279,280,282,284,286,287,288,296,301,302,304,305,308,309],"temperature_or_pressur":[108,109,112,120,121,122,123,126,179,305],"tend":289,"tension":[258,272,274,292,300,307],"tensor":309,"term":[48,82,83,84,85,86,282,284,286,292,293,296],"ternari":306,"test":[91,173,285,302],"test_particl":91,"text":[271,282,284,285,286,289,290,291,293,294,295,297,298,299,306],"theori":[59,70,267,270,285,288,289,297,307,308],"therefor":[282,287,288,289,290,292,293,297,298,301,306],"therm":[301,304],"thermal":[213,242,243,244,282,286,287,288,296,305],"thermal_conduct":306,"thermal_conductivity_correl":282,"thermal_conductivity_refer":282,"thermodyanm":305,"thermodynam":[2,41,42,48,49,50,53,54,59,117,173,178,179,180,245,270,282,283,285,286,287,295,296,299,305,308,309],"theta":298,"thick":135,"thing":284,"think":[284,309],"third":[57,58],"thomson":[208,284,296,301,304,308],"though":[284,286],"thought":284,"thread":113,"three":[284,289,301,306,308],"throughout":[0,309],"throw":296,"thus":[287,292,301,309],"tick":[277,279,301,302,304,305],"tild":297,"time":[0,142,145,148,273,282,285,292,293,297,301,308],"time_python":302,"time_rust":302,"timeit":302,"times10":[302,308],"titl":[301,302],"tmp":308,"to_dict":302,"to_json_str":306,"togeth":[284,287,306],"tol":[8,14,35,36,37,113,114,115,122,123,124,178,179,180,204,239,240,248,305],"tol_bd_inn":122,"tol_bd_out":122,"tol_cross_assoc":[41,42,48,53,83,84],"tol_inn":[108,109,110,111,120,121],"tol_out":[108,109,110,111,120,121],"toler":[8,14,35,36,37,41,42,48,53,83,84,108,109,110,111,113,114,115,120,121,122,123,124,178,179,180,204,239,240,248,305],"tool":305,"top":302,"topic":285,"total":[0,93,94,95,116,129,130,136,168,169,170,173,175,176,177,181,182,183,189,190,191,192,193,194,195,196,197,198,200,203,218,219,220,221,222,223,224,228,231,232,233,234,235,236,237,246,247,253,254,255,256,257,270,273,282,284,286,287,288,296,301,302,305],"total_mol":[173,284,302,304,308],"tp":[112,248],"tp_init":[120,121,122],"tp_init_vll":109,"tp_lim_ll":109,"tr":[302,308],"traceback":309,"track":308,"trait":[283,284,285],"transform":309,"transit":[287,302,309],"transpar":304,"treat":211,"treatment":285,"tri":[301,309],"troubl":309,"true":[54,86,97,105,132,133,139,172,258,273,284,301,302],"truncat":292,"ts":[287,296],"tupl":[101,176,229,230,306],"tutori":[270,272,302,304],"tv":297,"twice":[7,13],"two":[0,112,117,248,284,287,289,296,297,305,308,309],"type":[5,6,7,8,11,12,13,14,27,33,35,36,37,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67,68,82,83,84,85,86,91,93,94,95,96,97,105,106,108,109,110,111,112,113,114,115,116,119,120,121,123,124,125,126,129,130,131,132,133,134,135,136,137,138,139,140,142,145,146,148,151,157,163,166,168,169,170,171,172,173,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,253,254,255,256,257,258,262,263,264,265,266,267,270,282,283,284,285,302,306,308,309],"typic":[293,301,306,308],"u":[282,284,287,296],"u_i":[294,297],"u_iu_jm_":294,"ultim":306,"underbrac":[288,289,292,293],"underlying":[258,270,305,306],"understand":[282,285],"unfamiliar":285,"unfortun":293,"unit":[64,124,146,166,271,282,284,302,305,306,307,310],"uniti":[282,284,308],"unknown":[286,287],"unkonwn":294,"unlik":297,"unnecessari":287,"unpreced":0,"unsign":[41,42,48,53,83,84],"unstabl":[112,293],"unwrap":284,"upa":301,"updat":[284,293],"upper":[8,14,112],"us":[269,282,284,301,306,308,309],"usabl":270,"use":[0,2,27,35,37,41,42,47,48,49,50,51,52,53,54,59,64,72,74,75,77,84,86,97,100,101,102,105,108,112,120,121,123,124,132,133,139,140,142,145,148,151,172,173,178,179,180,201,202,209,213,214,239,248,258,262,263,264,265,266,270,271,272,282,283,284,285,286,287,288,289,290,292,293,294,295,296,297,298,300,302,304,305,306,307,308,309],"user":[0,273,283,284,296,301],"usig":306,"usiz":282,"ustutt":309,"usual":[112,302],"util":[283,285,297,301,307],"uv":[59,270,285],"uvtheoryparamet":59,"v":[284,286,287,292,294,296,298,301,302,304,308,309],"v_":[288,290,293,298],"v_cm_minut":309,"v_i":[61,62,63,65,66,67,68,286,288,290,296],"valid":[286,287,306],"valu":[109,116,140,142,145,146,148,166,257,282,283,289,296,297,298,301,302,305,306,308,309],"valueerror":[302,308,309],"vanish":290,"vap":287,"vapor":[0,110,111,112,116,120,121,123,124,125,126,127,173,266,267,272,274,277,287,301,302,304,305],"vapor_molefrac":[120,121],"vapor_pressur":[276,302,305],"vapor_pressure_deriv":[0,273],"vapor_profil":274,"varepsilon":[289,297],"varepsilon_":[61,62,63,66,67,68,298],"varepsilon_k":297,"vari":[286,297,301],"variabl":[286,287,288,293,294,296,302,306,308],"variant":[41,82,83,84,85,86,282,284,298],"various":298,"varphi_i":296,"vast":297,"vec":[270,289,297,298],"vector":[283,289,302,306],"veloc":309,"verbos":[8,14,33,108,109,110,111,113,114,115,120,121,122,123,124,178,179,180,204,239,240,248,305],"verbosity_bd":122,"veri":[283,293,301,306],"versa":297,"version":[70,271,288,293,297,298,308],"via":[184,242,249,271,282,284,293,294,296,301,305],"vice":297,"virial":[55,56,57,58],"viscos":[214,250,301,304,306],"viscosity_correl":282,"viscosity_lit":304,"viscosity_refer":[282,304],"visual":285,"vle":[109,131,132,133,274,280,302,305],"vle_p":278,"vle_profil":274,"vle_t":278,"vles":301,"vlle":109,"volum":[173,182,194,227,282,284,287,296,297,301,302,304,308,309],"vr":[53,270],"vrq":[54,86,270],"vs":309,"w":[181,182,183,186,187,188,189,190,191,192,193,194,262,263,264,265,266,284,296,301,302,304,308,309],"w_i":296,"wall":[0,62,64,65,68,140,270,273,301],"want":[271,282,284,293,305,306,308],"warn":302,"water":[282,306],"water_2b":301,"water_vle_nist":301,"wavelength":[282,286,287,288,296],"way":[284,288,289,302,306],"wca":59,"wca_b3":59,"webapp":304,"webbook":301,"websit":284,"weight":[247,282,288,289,292,293,296,297,298,302,306,308],"welcom":285,"well":[63,112,284,285,292,296,301,302,304,305,306,308],"wheel":271,"wherea":297,"whether":[105,204,296],"whi":[282,284,302],"white":[297,298],"whitebear":[83,84,85,86,298],"wide":[284,297],"width":[91,131,133,140,301],"wikipedia":293,"will":[282,283,284,286,296,301,302,304,306,308,309],"window":285,"within":[0,113,282,284,306],"without":[85,258,271,283,290,305,308],"won":[284,308],"word":282,"work":[282,284,285,302,303,304,305,307,308,310],"workflow":306,"workspac":[283,285],"wrap":282,"write":[284,308,309],"written":[270,282,283,286,287,288,289,309],"wspace":304,"wu":[297,298],"x":[55,56,57,58,166,277,279,282,284,296,301,302,304,305,308],"x_":297,"x_1":302,"x_a":297,"x_b":297,"x_c":297,"x_i":[201,284,286,287,296],"x_init":122,"x_j":296,"x_k":[286,287,290],"x_lle":[108,109],"xi":[62,68,116,257,297,302],"xi_i":297,"xi_j":297,"xl":302,"xlabel":[279,301],"xlim":[279,301],"xv":302,"y":[166,277,279,301,302,304,305],"y_":288,"y_1":302,"y_i":286,"y_ip":296,"yes":[284,296],"yet":[284,301],"yi":[116,302],"yield":[282,287,290,301,302,306,309],"yl":302,"ylabel":[279,301],"ylim":[279,301],"young":274,"yu":[297,298],"yv":302,"z":[61,62,63,65,66,67,68,166,287,292,296,301],"z_i":294,"z_iz_j":294,"zero":[297,302,304,308],"zeta_0":298,"zeta_1":298,"zeta_2":[297,298],"zeta_3":[297,298],"zeta_k":298,"zoom":301,"\u03b5":308,"\u03bcs":301,"\u03c3":306},"titles":["Automatic differentiation","Classical density functional theory","Equations of state","feos.Adsorption1D","feos.Adsorption1D.__init__","feos.Adsorption1D.adsorption_isotherm","feos.Adsorption1D.desorption_isotherm","feos.Adsorption1D.equilibrium_isotherm","feos.Adsorption1D.phase_equilibrium","feos.Adsorption3D","feos.Adsorption3D.__init__","feos.Adsorption3D.adsorption_isotherm","feos.Adsorption3D.desorption_isotherm","feos.Adsorption3D.equilibrium_isotherm","feos.Adsorption3D.phase_equilibrium","feos.BinaryRecord","feos.BinaryRecord.__init__","feos.BinaryRecord.from_json_str","feos.BinaryRecord.to_dict","feos.BinaryRecord.to_json_str","feos.BinarySegmentRecord","feos.BinarySegmentRecord.__init__","feos.BinarySegmentRecord.from_json_str","feos.BinarySegmentRecord.to_dict","feos.BinarySegmentRecord.to_json_str","feos.ChemicalRecord","feos.ChemicalRecord.__init__","feos.ChemicalRecord.from_json","feos.ChemicalRecord.from_json_str","feos.ChemicalRecord.from_smiles","feos.ChemicalRecord.to_json_str","feos.Contributions","feos.Contributions.__init__","feos.DFTSolver","feos.DFTSolver.__init__","feos.DFTSolver.anderson_mixing","feos.DFTSolver.newton","feos.DFTSolver.picard_iteration","feos.EquationOfState","feos.EquationOfState.__init__","feos.EquationOfState.dippr","feos.EquationOfState.epcsaft","feos.EquationOfState.gc_pcsaft","feos.EquationOfState.ideal_gas","feos.EquationOfState.joback","feos.EquationOfState.max_density","feos.EquationOfState.multiparameter","feos.EquationOfState.multiparameter_ideal_gas","feos.EquationOfState.pcsaft","feos.EquationOfState.peng_robinson","feos.EquationOfState.pets","feos.EquationOfState.python_ideal_gas","feos.EquationOfState.python_residual","feos.EquationOfState.saftvrmie","feos.EquationOfState.saftvrqmie","feos.EquationOfState.second_virial_coefficient","feos.EquationOfState.second_virial_coefficient_temperature_derivative","feos.EquationOfState.third_virial_coefficient","feos.EquationOfState.third_virial_coefficient_temperature_derivative","feos.EquationOfState.uvtheory","feos.ExternalPotential","feos.ExternalPotential.CustomLJ93","feos.ExternalPotential.CustomSteele","feos.ExternalPotential.DoubleWell","feos.ExternalPotential.FreeEnergyAveraged","feos.ExternalPotential.HardWall","feos.ExternalPotential.LJ93","feos.ExternalPotential.SimpleLJ93","feos.ExternalPotential.Steele","feos.ExternalPotential.__init__","feos.FMTVersion","feos.FMTVersion.__init__","feos.GcParameters","feos.GcParameters.__init__","feos.GcParameters.from_json_segments","feos.GcParameters.from_json_smiles","feos.GcParameters.from_segments","feos.GcParameters.from_smiles","feos.Geometry","feos.Geometry.__init__","feos.HelmholtzEnergyFunctional","feos.HelmholtzEnergyFunctional.__init__","feos.HelmholtzEnergyFunctional.fmt","feos.HelmholtzEnergyFunctional.gc_pcsaft","feos.HelmholtzEnergyFunctional.pcsaft","feos.HelmholtzEnergyFunctional.pets","feos.HelmholtzEnergyFunctional.saftvrqmie","feos.Identifier","feos.Identifier.__init__","feos.IdentifierOption","feos.IdentifierOption.__init__","feos.PairCorrelation","feos.PairCorrelation.__init__","feos.PairCorrelation.entropy","feos.PairCorrelation.entropy_density","feos.PairCorrelation.internal_energy","feos.PairCorrelation.residual","feos.PairCorrelation.solve","feos.Parameters","feos.Parameters.__init__","feos.Parameters.from_json","feos.Parameters.from_multiple_json","feos.Parameters.from_records","feos.Parameters.new_binary","feos.Parameters.new_pure","feos.Parameters.to_json_str","feos.PhaseDiagram","feos.PhaseDiagram.__init__","feos.PhaseDiagram.binary_vle","feos.PhaseDiagram.binary_vlle","feos.PhaseDiagram.bubble_point_line","feos.PhaseDiagram.dew_point_line","feos.PhaseDiagram.lle","feos.PhaseDiagram.par_pure","feos.PhaseDiagram.pure","feos.PhaseDiagram.spinodal","feos.PhaseDiagram.to_dict","feos.PhaseEquilibrium","feos.PhaseEquilibrium.__init__","feos.PhaseEquilibrium.boiling_temperature","feos.PhaseEquilibrium.bubble_point","feos.PhaseEquilibrium.dew_point","feos.PhaseEquilibrium.heteroazeotrope","feos.PhaseEquilibrium.pure","feos.PhaseEquilibrium.tp_flash","feos.PhaseEquilibrium.vapor_pressure","feos.PhaseEquilibrium.vle_pure_comps","feos.PlanarInterface","feos.PlanarInterface.__init__","feos.PlanarInterface.entropy","feos.PlanarInterface.entropy_density","feos.PlanarInterface.from_density_profile","feos.PlanarInterface.from_pdgt","feos.PlanarInterface.from_tanh","feos.PlanarInterface.interfacial_enrichment","feos.PlanarInterface.interfacial_thickness","feos.PlanarInterface.internal_energy","feos.PlanarInterface.relative_adsorption","feos.PlanarInterface.residual","feos.PlanarInterface.solve","feos.Pore1D","feos.Pore1D.__init__","feos.Pore1D.initialize","feos.Pore2D","feos.Pore2D.__init__","feos.Pore2D.initialize","feos.Pore3D","feos.Pore3D.__init__","feos.Pore3D.initialize","feos.PureRecord","feos.PureRecord.__init__","feos.PureRecord.from_json","feos.PureRecord.from_json_str","feos.PureRecord.to_dict","feos.PureRecord.to_json_str","feos.SegmentRecord","feos.SegmentRecord.__init__","feos.SegmentRecord.from_json","feos.SegmentRecord.from_json_str","feos.SegmentRecord.to_dict","feos.SegmentRecord.to_json_str","feos.SmartsRecord","feos.SmartsRecord.__init__","feos.SmartsRecord.from_json","feos.SmartsRecord.from_json_str","feos.SmartsRecord.to_json_str","feos.SolvationProfile","feos.SolvationProfile.__init__","feos.SolvationProfile.entropy","feos.SolvationProfile.entropy_density","feos.SolvationProfile.internal_energy","feos.SolvationProfile.residual","feos.SolvationProfile.solve","feos.State","feos.State.__init__","feos.State.chemical_potential","feos.State.chemical_potential_contributions","feos.State.compressibility","feos.State.critical_point","feos.State.critical_point_binary","feos.State.critical_point_pure","feos.State.d2p_drho2","feos.State.d2p_dv2","feos.State.dc_v_dt","feos.State.diffusion","feos.State.diffusion_reference","feos.State.dln_phi_dnj","feos.State.dln_phi_dp","feos.State.dln_phi_dt","feos.State.dmu_dni","feos.State.dmu_dt","feos.State.dp_dni","feos.State.dp_drho","feos.State.dp_dt","feos.State.dp_dv","feos.State.ds_dt","feos.State.enthalpy","feos.State.entropy","feos.State.gibbs_energy","feos.State.grueneisen_parameter","feos.State.helmholtz_energy","feos.State.henrys_law_constant","feos.State.henrys_law_constant_binary","feos.State.internal_energy","feos.State.is_stable","feos.State.isenthalpic_compressibility","feos.State.isentropic_compressibility","feos.State.isothermal_compressibility","feos.State.joule_thomson","feos.State.ln_diffusion_reduced","feos.State.ln_phi","feos.State.ln_phi_pure_liquid","feos.State.ln_symmetric_activity_coefficient","feos.State.ln_thermal_conductivity_reduced","feos.State.ln_viscosity_reduced","feos.State.mass","feos.State.mass_density","feos.State.massfracs","feos.State.molar_enthalpy","feos.State.molar_entropy","feos.State.molar_gibbs_energy","feos.State.molar_helmholtz_energy","feos.State.molar_internal_energy","feos.State.molar_isobaric_heat_capacity","feos.State.molar_isochoric_heat_capacity","feos.State.partial_molar_enthalpy","feos.State.partial_molar_entropy","feos.State.partial_molar_volume","feos.State.pressure","feos.State.pressure_contributions","feos.State.residual_molar_helmholtz_energy_contributions","feos.State.specific_enthalpy","feos.State.specific_entropy","feos.State.specific_gibbs_energy","feos.State.specific_helmholtz_energy","feos.State.specific_internal_energy","feos.State.specific_isobaric_heat_capacity","feos.State.specific_isochoric_heat_capacity","feos.State.speed_of_sound","feos.State.spinodal","feos.State.stability_analysis","feos.State.structure_factor","feos.State.thermal_conductivity","feos.State.thermal_conductivity_reference","feos.State.thermal_expansivity","feos.State.thermodynamic_factor","feos.State.total_mass","feos.State.total_molar_weight","feos.State.tp_flash","feos.State.viscosity","feos.State.viscosity_reference","feos.StateVec","feos.StateVec.__init__","feos.StateVec.molar_enthalpy","feos.StateVec.molar_entropy","feos.StateVec.specific_enthalpy","feos.StateVec.specific_entropy","feos.StateVec.to_dict","feos.SurfaceTensionDiagram","feos.SurfaceTensionDiagram.__init__","feos.Verbosity","feos.Verbosity.__init__","feos.bubble_point_pressure_derivatives","feos.dew_point_pressure_derivatives","feos.equilibrium_liquid_density_derivatives","feos.liquid_density_derivatives","feos.vapor_pressure_derivatives","API","Parameter handling","Help & Feedback","Welcome to \\text{FeO}_\\text{s}","Installation","Recipes","Phase equilibria including derivatives","Calculation of contact angles with cDFT","Critical point of a pure substance","Vapor pressure and boiling temperature of a pure substance","Phase diagram of a pure substance","Phase equilibrium of a pure substance","Surface tension diagram of a pure substance","Surface tension of a pure substance","API","The EquationOfState Trait","feos-core","Thermodynamic States","Guide","Derivatives of density profiles","Enthalpy of adsorption and the Clausius-Clapeyron relation","Euler-Lagrange equation","Functional derivatives","Ideal gas properties","Classical density functional theory","Predictive density gradient theory","DFT solvers","Stability and critical points","Equations of state","Properties","Association","Hard spheres","Models","Density functional theory","Surface tension using PC-SAFT Helmholtz energy functionals","Implementing an equation of state in python","Equations of state","Entropy scaling of pure substances","Pure substance phase diagrams","Working with parameters","Tutorials","On Dual Numbers in FeOs","Working with SI-units","Utility"],"titleterms":{"Do":308,"From":306,"Further":306,"How":284,"On":308,"Other":[1,268],"The":[1,2,282,284,305,309],"Where":285,"With":306,"_":[270,296],"__init__":[4,10,16,21,26,32,34,39,69,71,73,79,81,88,90,92,99,107,118,128,141,144,147,150,156,162,167,174,252,259,261],"access":306,"add":284,"addit":282,"adsorpt":[1,287],"adsorption1d":[3,4,5,6,7,8],"adsorption3d":[9,10,11,12,13,14],"adsorption_isotherm":[5,11],"algorithm":293,"anderson":293,"anderson_mix":35,"angl":274,"api":[267,281],"array":[284,309],"associ":[273,297],"automat":0,"avail":[0,296],"binari":306,"binary_vl":108,"binary_vll":109,"binaryrecord":[15,16,17,18,19],"binarysegmentrecord":[20,21,22,23,24],"boil":276,"boiling_temperatur":119,"bond":297,"bubbl":273,"bubble_point":120,"bubble_point_lin":110,"bubble_point_pressure_deriv":262,"build":[268,304,305,306],"calcul":[274,287,297],"cdft":274,"chain":288,"chemical_potenti":175,"chemical_potential_contribut":176,"chemicalrecord":[25,26,27,28,29,30],"clapeyron":287,"class":[1,2],"classic":[1,287,291],"clausius":287,"combin":[2,288],"compar":304,"comparison":[301,302],"compon":[304,306],"compress":177,"comput":[284,302],"conclud":[301,306,309],"constant":309,"contact":274,"content":302,"contribut":[31,32,282,284,306],"core":283,"crate":283,"creat":308,"critic":[272,275,294,302],"critical_point":178,"critical_point_binari":179,"critical_point_pur":180,"cross":273,"customlj93":61,"customsteel":62,"d2p_drho2":181,"d2p_dv2":182,"data":[1,2,268,301,304],"datafram":305,"dc_v_dt":183,"defin":2,"densiti":[1,273,286,291,292,300],"deriv":[273,286,289,309],"desorption_isotherm":[6,12],"dew_point":121,"dew_point_lin":111,"dew_point_pressure_deriv":263,"dft":[272,287,293],"dftsolver":[33,34,35,36,37],"diagram":[277,279,302,305],"differenti":0,"diffus":184,"diffusion_refer":185,"dippr":[2,40],"dln_phi_dnj":186,"dln_phi_dp":187,"dln_phi_dt":188,"dmu_dni":189,"dmu_dt":190,"doublewel":63,"dp_dni":191,"dp_drho":192,"dp_dt":193,"dp_dv":194,"ds_dt":195,"dual":[284,308],"energi":[2,282,284,297,301],"enthalpi":[196,287],"entropi":[93,129,168,197,284,304],"entropy_dens":[94,130,169],"entropysc":282,"epcsaft":41,"equat":[0,2,288,295,302,303,304,306],"equationofst":[2,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,282],"equilibria":[272,273,302],"equilibrium":278,"equilibrium_isotherm":[7,13],"equilibrium_liquid_density_deriv":264,"euler":288,"exampl":[0,2],"express":[288,297],"externalpotenti":[60,61,62,63,64,65,66,67,68,69],"featur":270,"feedback":269,"feo":[3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,252,253,254,255,256,257,258,259,260,261,262,263,264,265,266,270,283,296,308],"file":306,"fmt":82,"fmtversion":[70,71],"fraction":297,"freeenergyaverag":64,"from_density_profil":131,"from_json":[27,100,151,157,163],"from_json_seg":74,"from_json_smil":75,"from_json_str":[17,22,28,152,158,164],"from_multiple_json":101,"from_pdgt":132,"from_record":102,"from_seg":76,"from_smil":[29,77],"from_tanh":133,"function":[1,289,291,297,300,301],"fundament":298,"gas":[2,282,290],"gc":304,"gc_pcsaft":[42,83],"gcparamet":[72,73,74,75,76,77,268],"general":284,"generat":305,"geometri":[78,79],"get":[270,285,306],"gibbs_energi":198,"goal":[301,304,305,306,309],"gradient":292,"group":306,"grueneisen_paramet":199,"guid":285,"hand":308,"handl":268,"hard":298,"hardwal":65,"helmholtz":[2,282,284,297,301],"helmholtz_energi":200,"helmholtzenergi":282,"helmholtzenergydu":282,"helmholtzenergyfunct":[1,80,81,82,83,84,85,86],"help":[269,285],"henrys_law_const":201,"henrys_law_constant_binari":202,"heteroazeotrop":122,"heteroseg":288,"homo":304,"homoseg":288,"hyper":284,"ideal":[2,282,290],"ideal_ga":43,"identifi":[87,88],"identifieropt":[89,90],"implement":302,"import":[283,304],"includ":273,"individu":304,"inform":[305,306],"initi":[142,145,148],"instal":271,"interact":[306,309],"interfac":1,"interfacial_enrich":134,"interfacial_thick":135,"internal_energi":[95,136,170,203],"introduct":285,"is_stabl":204,"isenthalpic_compress":205,"isentropic_compress":206,"isothermal_compress":207,"iter":293,"joback":[2,44],"joule_thomson":208,"json":[305,306],"k":304,"lagrang":288,"learn":270,"liquid":[1,273],"liquid_density_deriv":265,"list":296,"lj93":66,"lle":112,"ln_diffusion_reduc":209,"ln_phi":210,"ln_phi_pure_liquid":211,"ln_symmetric_activity_coeffici":212,"ln_thermal_conductivity_reduc":213,"ln_viscosity_reduc":214,"mass":215,"mass_dens":216,"massfrac":217,"mathemat":309,"max_dens":45,"measur":298,"media":287,"method":[268,304,305,306],"mie":297,"mix":293,"mixtur":[302,306],"model":[2,299],"modul":309,"molar_enthalpi":[218,253],"molar_entropi":[219,254],"molar_gibbs_energi":220,"molar_helmholtz_energi":221,"molar_internal_energi":222,"molar_isobaric_heat_capac":223,"molar_isochoric_heat_capac":224,"molarweight":282,"molecul":288,"multiparamet":46,"multiparameter_ideal_ga":47,"multipl":306,"natur":284,"need":[304,308],"new":284,"new_binari":103,"new_pur":104,"newton":[36,293],"nist":[301,304],"non":297,"notebook":[301,305],"number":[284,308],"numpi":309,"object":[302,305,306],"oper":309,"packag":304,"paircorrel":[91,92,93,94,95,96,97],"panda":305,"par_pur":113,"paramet":[98,99,100,101,102,103,104,105,268,301,304,305,306],"partial_molar_enthalpi":225,"partial_molar_entropi":226,"partial_molar_volum":227,"pc":[2,297,301,304],"pcsaft":[48,84,305],"peng_robinson":49,"pet":[50,85],"phase":[272,273,277,278,302,305],"phase_equilibrium":[8,14],"phasediagram":[106,107,108,109,110,111,112,113,114,115,116,305],"phaseequilibrium":[117,118,119,120,121,122,123,124,125,126,305],"picard":293,"picard_iter":37,"planarinterfac":[127,128,129,130,131,132,133,134,135,136,137,138,139],"point":[272,273,275,294,302],"pore1d":[140,141,142],"pore2d":[143,144,145],"pore3d":[146,147,148],"porous":287,"predict":292,"prefix":309,"prerequisit":285,"pressur":[228,273,276],"pressure_contribut":229,"profil":286,"project":285,"properti":[0,284,290,296,302,308],"pure":[114,123,275,276,277,278,279,280,304,305,306],"pure_record":306,"purerecord":[149,150,151,152,153,154,306],"python":[2,302,306],"python_ideal_ga":51,"python_residu":52,"quantiti":309,"read":[305,306],"recip":272,"reid":2,"relat":287,"relative_adsorpt":137,"remkar":[301,306,309],"residu":[2,96,138,171,282,296],"residual_molar_helmholtz_energy_contribut":230,"return":305,"rust":302,"s":[270,296,306],"saft":[2,297,301,304],"saftvrmi":53,"saftvrqmi":[54,86],"scale":304,"second_virial_coeffici":55,"second_virial_coefficient_temperature_deriv":56,"segmentrecord":[155,156,157,158,159,160],"setup":283,"si":309,"simplelj93":67,"singl":[301,305,306],"site":297,"smartsrecord":[161,162,163,164,165],"solv":[97,139,172],"solvat":1,"solvationprofil":[166,167,168,169,170,171,172],"solver":293,"specific_enthalpi":[231,255],"specific_entropi":[232,256],"specific_gibbs_energi":233,"specific_helmholtz_energi":234,"specific_internal_energi":235,"specific_isobaric_heat_capac":236,"specific_isochoric_heat_capac":237,"speed_of_sound":238,"sphere":298,"spheric":288,"spinod":[115,239],"stabil":294,"stability_analysi":240,"start":270,"state":[0,2,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,284,295,302,303,304,305,306],"statehd":284,"statevec":[251,252,253,254,255,256,257],"steel":68,"store":305,"strength":297,"struct":284,"structur":285,"structure_factor":241,"substanc":[275,276,277,278,279,280,304,305,306],"summari":[282,284,306,308,309],"surfac":[279,280,301],"surfacetensiondiagram":[258,259,301],"t":304,"tabl":302,"temperatur":276,"tension":[279,280,301],"text":[270,296],"theori":[1,291,292,298,300],"thermal_conduct":242,"thermal_conductivity_refer":243,"thermal_expans":244,"thermodynam":[284,302],"thermodynamic_factor":245,"third_virial_coeffici":57,"third_virial_coefficient_temperature_deriv":58,"to_dict":[18,23,116,153,159,257,305],"to_json_str":[19,24,30,105,154,160,165],"total_mass":246,"total_molar_weight":247,"tp_flash":[124,248],"trait":282,"tutori":307,"two":306,"type":[1,2,268],"unit":309,"usag":270,"use":301,"util":310,"uvtheori":59,"valu":284,"vapor":[1,273,276],"vapor_pressur":125,"vapor_pressure_deriv":266,"variabl":284,"verbos":[260,261],"via":306,"viscos":249,"viscosity_refer":250,"vle":301,"vle_pure_comp":126,"vr":297,"want":270,"water":301,"welcom":270,"work":[306,309]}}) \ No newline at end of file diff --git a/theory/dft/derivatives.html b/theory/dft/derivatives.html new file mode 100644 index 000000000..dfc2893a9 --- /dev/null +++ b/theory/dft/derivatives.html @@ -0,0 +1,807 @@ + + + + + + + + + Derivatives of density profiles - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Derivatives of density profiles

+

For converged density profiles equilibrium properties can be calculated as partial derivatives of thermodynamic potentials analogous to classical (bulk) thermodynamics. The difference is that the derivatives have to be along a path of valid density profiles (solutions of the Euler-Lagrange equation).

+

The density profiles are calculated implicitly from the Euler-Lagrange equation, which can be written simplified as

+
+
+(1)\[\Omega_{\rho_i}(T,\lbrace\mu_k\rbrace,[\lbrace\rho_k(\mathbf{r})\rbrace])=F_{\rho_i}(T,[\lbrace\rho_k(\mathbf{r})\rbrace])-\mu_i+V_i^\mathrm{ext}(\mathbf{r})=0\]
+
+

Incorporating bond integrals can be done similar to the section on the Newton solver but will not be discussed in this section. The derivatives of the density profiles can then be calculated from the total differential of eq. (1), leading to

+
+
+\[\mathrm{d}\Omega_{\rho_i}(\mathbf{r})=\left(\frac{\partial\Omega_{\rho_i}(\mathbf{r})}{\partial T}\right)_{\mu_k,\rho_k}\mathrm{d}T+\sum_j\left(\frac{\partial\Omega_{\rho_i}(\mathbf{r})}{\partial\mu_j}\right)_{T,\mu_k,\rho_k}\mathrm{d}\mu_j+\int\sum_j\left(\frac{\delta\Omega_{\rho_i}(\mathbf{r})}{\delta\rho_j(\mathbf{r}')}\right)_{T,\mu_k,\rho_k}\delta\rho_j(\mathbf{r}')\mathrm{d}\mathbf{r}'=0\]
+
+

Using eq. (1) and the shortened notation for derivatives of functionals in their natural variables, e.g., \(F_T=\left(\frac{\partial F}{\partial T}\right)_{\rho_k}\), the expression can be simplified to

+
+
+(2)\[F_{T\rho_i}(\mathbf{r})\mathrm{d}T-\mathrm{d}\mu_i+\int\sum_j F_{\rho_i\rho_j}(\mathbf{r},\mathbf{r}')\delta\rho_j(\mathbf{r}')\mathrm{d}\mathbf{r}'=0\]
+
+

Similar to the Gibbs-Duhem relation for bulk phases, eq. (2) shows how temperature, chemical potentials and the density profiles in an inhomogeneous system cannot be varied independently. The derivatives of the density profiles with respect to the intensive variables can be directly identified as

+
+
+\[\int\sum_j F_{\rho_i\rho_j}(\mathbf{r},\mathbf{r}')\left(\frac{\partial\rho_j(\mathbf{r}')}{\partial T}\right)_{\mu_k}\mathrm{d}\mathbf{r}'=-F_{T\rho_i}(\mathbf{r})\]
+
+

and

+
+
+(3)\[\int\sum_j F_{\rho_i\rho_j}(\mathbf{r},\mathbf{r}')\left(\frac{\partial\rho_j(\mathbf{r}')}{\partial\mu_k}\right)_{T}\mathrm{d}\mathbf{r}'=\delta_{ik}\]
+
+

Both of these expressions are implicit (linear) equations for the derivatives. They can be solved rapidly analogously to the implicit expression appearing in the Newton solver. In practice, it is useful to explicitly cancel out the (often unknown) thermal de Broglie wavelength \(\Lambda_i\) from the expression where it has no influence. This is done by splitting the intrinsic Helmholtz energy into an ideal gas and a residual part.

+
+
+\[F=k_\mathrm{B}T\int\sum_im_i\rho_i(\mathbf{r})\left(\ln\left(\rho_i(\mathbf{r})\Lambda_i^3\right)-1\right)\mathrm{d}\mathbf{r}+\mathcal{\hat F}^\mathrm{res}\]
+
+

Then \(F_{\rho_i\rho_j}(\mathbf{r},\mathbf{r}')=m_i\frac{k_\mathrm{B}T}{\rho_i(\mathbf{r})}\delta_{ij}\delta(\mathbf{r}-\mathbf{r}')+\mathcal{\hat F}_{\rho_i\rho_j}^\mathrm{res}(\mathbf{r},\mathbf{r}')\) and eq. (3) can be rewritten as

+
+
+\[m_i\frac{k_\mathrm{B}T}{\rho_i(\mathbf{r})}\left(\frac{\partial\rho_i(\mathbf{r})}{\partial\mu_k}\right)_T+\int\sum_j\mathcal{\hat F}_{\rho_i\rho_j}^\mathrm{res}(\mathbf{r},\mathbf{r}')\left(\frac{\partial\rho_j(\mathbf{r}')}{\partial\mu_k}\right)_{T}\mathrm{d}\mathbf{r}'=\delta_{ik}\]
+
+

In practice, the division by the density should be avoided for numerical reasons and the energetic properties are reduced with the factor \(\beta=\frac{1}{k_\mathrm{B}T}\). The final expression is

+
+
+\[m_i\left(\frac{\partial\rho_i(\mathbf{r})}{\partial\beta\mu_k}\right)_T+\rho_i(\mathbf{r})\int\sum_j\beta\mathcal{\hat F}_{\rho_i\rho_j}^\mathrm{res}(\mathbf{r},\mathbf{r}')\left(\frac{\partial\rho_j(\mathbf{r}')}{\partial\beta\mu_k}\right)_{T}\mathrm{d}\mathbf{r}'=\rho_i(\mathbf{r})\delta_{ik}\]
+
+

For the temperature derivative, it is more convenient to express eq. (2) in terms of the pressure of a bulk phase that is in equilibrium with the inhomogeneous system. In the following, only paths along constant bulk composition are considered. With this constraint, the total differential of the chemical potential simplifies to

+
+
+\[\mathrm{d}\mu_i=-s_i\mathrm{d}T+v_i\mathrm{d}p\]
+
+

which can be used in eq. (2) to give

+
+
+\[\left(F_{T\rho_i}(\mathbf{r})+s_i\right)\mathrm{d}T+\int\sum_j F_{\rho_i\rho_j}(\mathbf{r},\mathbf{r}')\delta\rho_j(\mathbf{r}')\mathrm{d}\mathbf{r}'=v_i\mathrm{d}p\]
+
+

Even though \(s_i\) is readily available in \(\text{FeO}_\text{s}\) it is useful at this point to rewrite the partial molar entropy as

+
+
+\[s_i=v_i\left(\frac{\partial p}{\partial T}\right)_{V,N_k}-F_{T\rho_i}^\mathrm{b}\]
+
+

Then, the intrinsic Helmholtz energy can be split into an ideal gas and a residual part again, and the de Broglie wavelength cancels.

+
+
+\[\begin{split}\begin{align*} +&\left(m_ik_\mathrm{B}\ln\left(\frac{\rho_i(\mathbf{r})}{\rho_i^\mathrm{b}}\right)+F_{T\rho_i}^\mathrm{res}(\mathbf{r})-F_{T\rho_i}^\mathrm{b,res}+v_i\left(\frac{\partial p}{\partial T}\right)_{V,N_k}\right)\mathrm{d}T\\ +&~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~+m_i\frac{k_\mathrm{B}T}{\rho_i(\mathbf{r})}\delta\rho_i(\mathbf{r})+\int\sum_j\mathcal{\hat F}_{\rho_i\rho_j}^\mathrm{res}(\mathbf{r},\mathbf{r}')\delta\rho_j(\mathbf{r}')\mathrm{d}\mathbf{r}'=v_i\mathrm{d}p +\end{align*}\end{split}\]
+
+

Finally the expressions for the derivatives with respect to pressure

+
+
+\[m_i\left(\frac{\partial\rho_i(\mathbf{r})}{\partial\beta p}\right)_{T,x_k}+\rho_i(\mathbf{r})\int\sum_j\beta\mathcal{\hat F}_{\rho_i\rho_j}^\mathrm{res}(\mathbf{r},\mathbf{r}')\left(\frac{\partial\rho_j(\mathbf{r}')}{\partial\beta p}\right)_{T,x_k}\mathrm{d}\mathbf{r}'=v_i\rho_i(\mathbf{r})\]
+
+

and temperature

+
+
+\[\begin{split}\begin{align*} +&m_i\left(\frac{\partial\rho_i(\mathbf{r})}{\partial T}\right)_{p,x_k}+\rho_i(\mathbf{r})\int\sum_j\beta\mathcal{\hat F}_{\rho_i\rho_j}^\mathrm{res}(\mathbf{r},\mathbf{r}')\left(\frac{\partial\rho_j(\mathbf{r}')}{\partial T}\right)_{p,x_k}\mathrm{d}\mathbf{r}'\\ +&~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~=-\frac{\rho_i(\mathbf{r})}{k_\mathrm{B}T}\left(m_ik_\mathrm{B}\ln\left(\frac{\rho_i(\mathbf{r})}{\rho_i^\mathrm{b}}\right)+F_{T\rho_i}^\mathrm{res}(\mathbf{r})-F_{T\rho_i}^\mathrm{b,res}+v_i\left(\frac{\partial p}{\partial T}\right)_{V,N_k}\right) +\end{align*}\end{split}\]
+
+

follow. All derivatives \(x_i\) shown here can be calculated from the same linear equation

+
+
+\[m_ix_i+\rho_i(\mathbf{r})\int\sum_j\beta\mathcal{\hat F}_{\rho_i\rho_j}^\mathrm{res}(\mathbf{r},\mathbf{r}')x_i\mathrm{d}\mathbf{r}'=y_i\]
+
+

by just replacing the right hand side \(y_i\).

+
+ + + + + + + + + + + + + + + + + +

derivative

right hand side

\(\left(\frac{\partial\rho_i(\mathbf{r})}{\partial\beta\mu_k}\right)_T\)

\(\rho_i(\mathbf{r})\delta_{ik}\)

\(\left(\frac{\partial\rho_i(\mathbf{r})}{\partial\beta p}\right)_{T,x_k}\)

\(\rho_i(\mathbf{r})v_i\)

\(\left(\frac{\partial\rho_i(\mathbf{r})}{\partial T}\right)_{p,x_k}\)

\(-\frac{\rho_i(\mathbf{r})}{k_\mathrm{B}T}\left(m_ik_\mathrm{B}\ln\left(\frac{\rho_i(\mathbf{r})}{\rho_i^\mathrm{b}}\right)+F_{T\rho_i}^\mathrm{res}(\mathbf{r})-F_{T\rho_i}^\mathrm{b,res}+v_i\left(\frac{\partial p}{\partial T}\right)_{V,N_k}\right)\)

+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/dft/enthalpy_of_adsorption.html b/theory/dft/enthalpy_of_adsorption.html new file mode 100644 index 000000000..91d9f1ae1 --- /dev/null +++ b/theory/dft/enthalpy_of_adsorption.html @@ -0,0 +1,862 @@ + + + + + + + + + Enthalpy of adsorption and the Clausius-Clapeyron relation - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Enthalpy of adsorption and the Clausius-Clapeyron relation

+
+

Enthalpy of adsorption

+

The energy balance in differential form for a simple adsorption process can be written as

+
+
+(1)\[\mathrm{d}U=h^\mathrm{in}\delta n^\mathrm{in}-h^\mathrm{b}\delta n^\mathrm{out}+\delta Q\]
+
+

Here the balance is chosen to only include the fluid in the porous medium. The molar enthalpy \(h^\mathrm{b}\) of the (bulk) fluid that leaves the adsorber is at a state that is in equilibrium with the porous medium. In contrast, the incoming stream can be at any condition. Analogously, the component balance is

+
+
+(2)\[\mathrm{d}N_i=x_i^\mathrm{in}\delta n^\mathrm{in}-x_i\delta n^\mathrm{out}\]
+
+

The differential of the internal energy can be replaced with the total differential in its variables temperature \(T\) and number of particles \(N_i\). The volume of the adsorber is fixed and thus not considered as a variable.

+
+
+(3)\[\mathrm{d}U=\left(\frac{\partial U}{\partial T}\right)_{N_k}\mathrm{d}T+\sum_i\left(\frac{\partial U}{\partial N_i}\right)_{T,N_j}\mathrm{d}N_i\]
+
+

Eqs. (1), (2) and (3) can be combined into an expression for the heat of adsorption \(\delta Q\)

+
+
+\[\delta Q=\left(\frac{\partial U}{\partial T}\right)_{N_k}\mathrm{d}T-\left(h^\mathrm{in}-\sum_ix_i^\mathrm{in}\left(\frac{\partial U}{\partial N_i}\right)_{T,N_j}\right)\delta n^\mathrm{in}+\left(h^\mathrm{b}-\sum_ix_i\left(\frac{\partial U}{\partial N_i}\right)_{T,N_j}\right)\delta n^\mathrm{out}\]
+
+

The heat of adsorption can thus be split into a sensible part that depends on the change in temperature, and a latent part that depends on the change in loading. The expression can be simplified by using the definitions of the isochoric heat capacity \(C_v=\left(\frac{\partial U}{\partial T}\right)_{N_k}\) and the partial molar enthalpy of adsorption

+
+
+\[\Delta h_i^\mathrm{ads}=h_i^\mathrm{b}-\left(\frac{\partial U}{\partial N_i}\right)_{T,N_j}\]
+
+

yielding

+
+
+\[\delta Q=C_v\mathrm{d}T-\sum_ix_i^\mathrm{in}\left(h_i^\mathrm{in}-h_i^\mathrm{b}+\Delta h_i^\mathrm{ads}\right)\delta n^\mathrm{in}+\sum_ix_i\Delta h_i^\mathrm{ads}\delta n^\mathrm{out}\]
+
+

or

+
+
+\[\delta Q=C_v\mathrm{d}T-\sum_ix_i^\mathrm{in}\left(h_i^\mathrm{in}-h_i^\mathrm{b}+\Delta h_i^\mathrm{ads}\right)\delta n^\mathrm{in}+\Delta h^\mathrm{ads}\delta n^\mathrm{out}\]
+
+

with the enthalpy of adsorption

+
+
+\[\Delta h^\mathrm{ads}=\sum_ix_i\Delta h_i^\mathrm{ads}=h^\mathrm{b}-\sum_ix_i\left(\frac{\partial U}{\partial N_i}\right)_{T,N_j}\]
+
+

For pure components the balance equations simplify to

+
+
+\[\delta Q=C_v\mathrm{d}T-\left(h^\mathrm{in}-h^\mathrm{b}\right)\delta n^\mathrm{in}-\Delta h^\mathrm{ads}\mathrm{d}N\]
+
+
+
+

Clausius-Clapeyron relation for porous media

+

The Clausius-Clapeyron relation relates the \(p-T\) slope of a pure component phase transition line to the corresponding enthalpy of phase change. For a vapor-liquid phase transition, the exact relation is

+
+
+(4)\[\frac{\mathrm{d}p^\mathrm{sat}}{\mathrm{d}T}=\frac{s^\mathrm{V}-s^\mathrm{L}}{v^\mathrm{V}-v^\mathrm{L}}=\frac{h^\mathrm{V}-h^\mathrm{L}}{T\left(v^\mathrm{V}-v^\mathrm{L}\right)}\]
+
+

In this expression, the enthalpy of vaporization \(\Delta h^\mathrm{vap}=h^\mathrm{V}-h^\mathrm{L}\) can be identified. The molar volumes \(v\) of the two phases can be replaced by the compressibility factor \(Z=\frac{pv}{RT}\). Then, eq. (4) simplifies to

+
+
+\[\frac{\mathrm{d}p^\mathrm{sat}}{\mathrm{d}T}=\frac{p}{R T^2}\frac{\Delta h^\mathrm{vap}}{Z^\mathrm{V}-Z^\mathrm{L}}\]
+
+

which can be compactly written as

+
+
+(5)\[\frac{\mathrm{d}\ln p^\mathrm{sat}}{\mathrm{d}\frac{1}{RT}}=-\frac{\Delta h^\mathrm{vap}}{Z^\mathrm{V}-Z^\mathrm{L}}\]
+
+

Eq. (5) is still an exact expression. In practice, the volume (and hence the compressibility factor) of the liquid phase can often be neglected compared to the volume of the gas phase. Additionally assuming an ideal gas phase (\(Z^\mathrm{V}\approx1\)), leads to the expression commonly referred to as Clausius-Clapeyron relation:

+
+
+(6)\[\frac{\mathrm{d}\ln p^\mathrm{sat}}{\mathrm{d}\frac{1}{RT}}=-\Delta h^\mathrm{vap}\]
+
+

A similar relation can be derived for fluids adsorbed in a porous medium that is in equilibrium with a bulk phase. At this point it is important to clarify which variables describe the system

+
    +
  • The adsorbed fluid and the bulk phase are in equilibrium. Therefore, the temperature \(T\) and chemical potentials \(\mu_i\) are the same for both phases.

  • +
  • The density profiles and hence the number of particles \(N_i\) in the porous medium is determined by \(T\) and \(\mu_i\). The volume of the porous medium is not considered as a thermodynamic variable but rather as a (constant) property of the adsorbent.

  • +
  • All intensive properties of the bulk phase are fully determined by \(T\) and \(\mu_i\). In practice it can be useful to relate these properties to measurable properties like the pressure \(p\) and the composition \(x_i\).

  • +
+

To find an expression of the slope of an isostere (constant \(N_i\)), the pressure, which is only defined for the bulk phase, has to be related to properties of the adsorbed fluid.

+
+
+\[\frac{\mathrm{d}\ln p}{\mathrm{d}\frac{1}{RT}}=-\frac{RT^2}{p}\frac{\mathrm{d}p}{\mathrm{d}T}\]
+
+

First, the pressure can be replaced using the Gibbs-Duhem relation for the bulk phase (index \(\mathrm{b}\))

+
+
+(7)\[\frac{\mathrm{d}\ln p}{\mathrm{d}\frac{1}{RT}}=-\frac{RT^2}{pv^\mathrm{b}}\left(s^\mathrm{b}+\sum_ix_i\left(\frac{\partial\mu_i}{\partial T}\right)_{N_k}\right)\]
+
+

Here the directional derivative \(\frac{\mathrm{d}\mu_i}{\mathrm{d}T}\) could be replaced with a partial derivative amongst the variables describing the adsorbed fluid. The partial derivative can then be replaced using a Maxwell relation based on the Helmholtz energy \(F\) as follows

+
+
+\[\left(\frac{\partial\mu_i}{\partial T}\right)_{N_k}=\left(\frac{\partial^2 F}{\partial T\partial N_i}\right)=-\left(\frac{\partial S}{\partial N_i}\right)_{T,N_j}\]
+
+

Using the Maxwell relation together with the compressibility factor of the bulk phase \(Z^\mathrm{b}=\frac{pv^\mathrm{b}}{RT}\) in eq. (7) results in

+
+
+\[\frac{\mathrm{d}\ln p}{\mathrm{d}\frac{1}{RT}}=-\frac{T}{Z^\mathrm{b}}\left(s^\mathrm{b}-\sum_ix_i\left(\frac{\partial S}{\partial N_i}\right)_{T,N_j}\right)\]
+
+

Finally, using \(h^\mathrm{b}=Ts^\mathrm{b}+\sum_ix_i\mu_i\) and \(\mathrm{d}U=T\mathrm{d}S+\sum_i\mu_i\mathrm{d}N_i\) leads to

+
+
+(8)\[\frac{\mathrm{d}\ln p}{\mathrm{d}\frac{1}{RT}}=-\frac{1}{Z^\mathrm{b}}\left(h^\mathrm{b}-\sum_ix_i\left(\frac{\partial U}{\partial N_i}\right)_{T,N_j}\right)=-\frac{\Delta h^\mathrm{ads}}{Z^\mathrm{b}}\]
+
+

The relation is exact and valid for an arbitrary number of components in the fluid phase.

+
+
+

Calculation of the enthalpy of adsorption from classical DFT

+

In a DFT context, the introduction of entropies and internal energies are just unnecessary complications. The most useful definition of the (partial molar) enthalpy of adsorption is

+
+
+\[\Delta h_i^\mathrm{ads}=T\left(s_i^\mathrm{b}+\left(\frac{\partial\mu_i}{\partial T}\right)_{N_k}\right)\]
+
+

The derivative at constant number of particles is problematic and has to be replaced. This is done starting from the total differential of the number of particles

+
+
+(9)\[\mathrm{d}N_i=\sum_j\left(\frac{\partial N_i}{\partial\mu_j}\right)_T\mathrm{d}\mu_j+\left(\frac{\partial N_i}{\partial T}\right)_{\mu_k}\mathrm{d}T\]
+
+

Calculating the derivative with respect to \(T\) at constant \(N_i\) leads to

+
+
+(10)\[0=\sum_j\left(\frac{\partial N_i}{\partial\mu_j}\right)_T\left(\frac{\partial\mu_j}{\partial T}\right)_{N_k}+\left(\frac{\partial N_i}{\partial T}\right)_{\mu_k}\]
+
+

from which the unknown derivative \(\left(\frac{\partial\mu_i}{\partial T}\right)_{N_k}\) can be calculated. In practice the expression has the disadvantage that \(\left(\frac{\partial N_i}{\partial T}\right)_{\mu_k}\) depends on the (sometimes unknown) thermal de Broglie wavelength which cancels later with \(s_i^\mathrm{b}\). This can be remedied by first calculating the derivative of eq. (9) with respect to \(T\) at constant (bulk) pressure and composition.

+
+
+(11)\[\left(\frac{\partial N_i}{\partial T}\right)_{p,x_k}=\sum_j\left(\frac{\partial N_i}{\partial\mu_j}\right)_T\left(\frac{\partial\mu_j}{\partial T}\right)_{p,x_k}+\left(\frac{\partial N_i}{\partial T}\right)_{\mu_k}\]
+
+

From classical bulk thermodynamics we know \(\left(\frac{\partial\mu_j}{\partial T}\right)_{p,x_k}=-s_j^\mathrm{b}\) and therefore, eq. (11) can be used in eq. (10) to give

+
+
+\[0=\sum_j\left(\frac{\partial N_i}{\partial\mu_j}\right)_T\left(s_j^\mathrm{b}+\left(\frac{\partial\mu_j}{\partial T}\right)_{N_k}\right)+\left(\frac{\partial N_i}{\partial T}\right)_{p,x_k}\]
+
+

After multiplying with \(T\), the following elegant expression remains

+
+
+\[0=\sum_j\left(\frac{\partial N_i}{\partial\mu_j}\right)_T\Delta h_j^\mathrm{ads}+T\left(\frac{\partial N_i}{\partial T}\right)_{p,x_k}\]
+
+

which is a symmetric linear system of equations due to \(\left(\frac{\partial N_i}{\partial\mu_j}\right)_T=-\left(\frac{\partial^2\Omega}{\partial\mu_i\partial\mu_j}\right)_T\). The derivatives of the particle numbers are obtained by integrating over the respective derivatives of the density profiles which were discussed previously.

+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/dft/euler_lagrange_equation.html b/theory/dft/euler_lagrange_equation.html new file mode 100644 index 000000000..250b3e3a7 --- /dev/null +++ b/theory/dft/euler_lagrange_equation.html @@ -0,0 +1,869 @@ + + + + + + + + + Euler-Lagrange equation - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Euler-Lagrange equation

+

The fundamental expression in classical density functional theory is the relation between the grand potential functional \(\Omega\) and the intrinsic Helmholtz energy functional \(F\).

+
+
+\[\Omega(T,\mu,[\rho(r)])=F(T,[\rho(r)])-\sum_i\int\rho_i(r)\left(\mu_i-V_i^\mathrm{ext}(r)\right)\mathrm{d}r\]
+
+

What makes this expression so appealing is that the intrinsic Helmholtz energy functional only depends on the temperature \(T\) and the density profiles \(\rho_i(r)\) of the system and not on the external potentials \(V_i^\mathrm{ext}(r)\).

+

For a given temperature \(T\), chemical potentials \(\mu_i\) and external potentials \(V_i^\mathrm{ext}(r)\) the grand potential reaches a minimum at equilibrium. Mathematically this condition can be written as

+
+
+(1)\[\left.\frac{\delta\Omega}{\delta\rho_i(r)}\right|_{T,\mu}=F_{\rho_i}(r)-\mu_i+V_i^{\mathrm{ext}}(r)=0\]
+
+

where \(F_{\rho_i}(r)=\left.\frac{\delta F}{\delta\rho_i(r)}\right|_T\) is short for the functional derivative of the intrinsic Helmholtz energy. In this context, eq. (1) is commonly referred to as the Euler-Lagrange equation, an implicit nonlinear integral equation which needs to be solved for the equilibrium density profiles of the system.

+

For a homogeneous (bulk) system, \(V_i^\mathrm{ext}=0\) and we get

+
+
+(2)\[F_{\rho_i}^\mathrm{b}-\mu_i=0\]
+
+

The functional derivative of the Helmholtz energy of a bulk system \(F_{\rho_i}^\mathrm{b}\) is a function of the temperature \(T\) and bulk densities \(\rho^\mathrm{b}\). At this point, it can be advantageous to relate the grand potential of an inhomogeneous system to the densities of a bulk system that is in equilibrium with the inhomogeneous system. This approach has several advantages:

+
    +
  • The thermal de Broglie wavelength \(\Lambda\) cancels out.

  • +
  • If the chemical potential of the system is not known, all variables are the same quantity (densities).

  • +
  • The bulk system is described by a Helmholtz energy which is explicit in the density, so there are no internal iterations required.

  • +
+

Using eq. (2) in eq. (1) leads to the Euler-Lagrange equation

+
+
+(3)\[\left.\frac{\delta\Omega}{\delta\rho_i(r)}\right|_{T,\rho^\mathrm{b}}=F_{\rho_i}(r)-F_{\rho_i}^\mathrm{b}+V_i^{\mathrm{ext}}(r)=0\]
+
+
+

Spherical molecules

+

In the simplest case, the molecules under consideration can be described as spherical. Then the Helmholtz energy can be split into an ideal and a residual part:

+
+
+\[\beta F=\sum_i\int\rho_i(r)\left(\ln\left(\rho_i(r)\Lambda_i^3\right)-1\right)\mathrm{d}r+\beta F^\mathrm{res}\]
+
+

with the thermal de Broglie wavelength \(\Lambda_i\). The functional derivatives for an inhomogeneous and a bulk system follow as

+
+
+\[\beta F_{\rho_i}(r)=\ln\left(\rho_i(r)\Lambda_i^3\right)+\beta F_{\rho_i}^\mathrm{res}\]
+
+
+
+\[\beta F_{\rho_i}^\mathrm{b}=\ln\left(\rho_i^\mathrm{b}\Lambda_i^3\right)+\beta F_{\rho_i}^\mathrm{b,res}\]
+
+

Using these expressions in eq. (3) results in

+
+
+\[\left.\frac{\delta\beta\Omega}{\delta\rho_i(r)}\right|_{T,\rho^\mathrm{b}}=\ln\left(\frac{\rho_i(r)}{\rho_i^\mathrm{b}}\right)+\beta\left(F_{\rho_i}^\mathrm{res}(r)-F_{\rho_i}^\mathrm{b,res}+V_i^{\mathrm{ext}}(r)\right)=0\]
+
+

The Euler-Lagrange equation can be recast as

+
+
+\[\rho_i(r)=\rho_i^\mathrm{b}e^{\beta\left(F_{\rho_i}^\mathrm{b,res}-F_{\rho_i}^\mathrm{res}(r)-V_i^\mathrm{ext}(r)\right)}\]
+
+

which is convenient because it leads directly to a recurrence relation known as Picard iteration.

+
+
+

Homosegmented chains

+

For chain molecules that do not resolve individual segments (essentially the PC-SAFT Helmholtz energy functional) a chain contribution is introduced as

+
+
+\[\beta F^\mathrm{chain}=-\sum_i\int\rho_i(r)\left(m_i-1\right)\ln\left(\frac{y_{ii}\lambda_i(r)}{\rho_i(r)}\right)\mathrm{d}r\]
+
+

Where \(m_i\) is the number of segments (i.e., the PC-SAFT chain length parameter), \(y_{ii}\) is the cavity correlation function at contact in the reference fluid, and \(\lambda_i\) is a weighted density. +The presence of \(\rho_i(r)\) in the logarithm poses numerical problems. Therefore, it is convenient to rearrange the expression as

+
+
+\[\begin{split}\begin{align} +\beta F^\mathrm{chain}=&\sum_i\int\rho_i(r)\left(m_i-1\right)\left(\ln\left(\rho_i(r)\Lambda_i^3\right)-1\right)\mathrm{d}r\\ +&\underbrace{-\sum_i\int\rho_i(r)\left(m_i-1\right)\left(\ln\left(y_{ii}\lambda_i(r)\Lambda_i^3\right)-1\right)\mathrm{d}r}_{\beta\hat{F}^\mathrm{chain}} +\end{align}\end{split}\]
+
+

Then the total Helmholtz energy

+
+
+\[\beta F=\sum_i\int\rho_i(r)\left(\ln\left(\rho_i(r)\Lambda_i^3\right)-1\right)\mathrm{d}r+\beta F^\mathrm{chain}+\beta F^\mathrm{res}\]
+
+

can be rearranged to

+
+
+\[\beta F=\sum_i\int\rho_i(r)m_i\left(\ln\left(\rho_i(r)\Lambda_i^3\right)-1\right)\mathrm{d}r+\underbrace{\beta\hat{F}^\mathrm{chain}+\beta F^\mathrm{res}}_{\beta\hat{F}^\mathrm{res}}\]
+
+

The functional derivatives are then similar to the spherical case

+
+
+\[\beta F_{\rho_i}(r)=m_i\ln\left(\rho_i(r)\Lambda_i^3\right)+\beta\hat{F}_{\rho_i}^\mathrm{res}(r)\]
+
+
+
+\[\beta F_{\rho_i}^\mathrm{b}=m_i\ln\left(\rho_i^\mathrm{b}\Lambda_i^3\right)+\beta\hat{F}_{\rho_i}^\mathrm{b,res}\]
+
+

and lead to a slightly modified Euler-Lagrange equation

+
+
+\[\rho_i(r)=\rho_i^\mathrm{b}e^{\frac{\beta}{m_i}\left(\hat F_{\rho_i}^\mathrm{b,res}-\hat F_{\rho_i}^\mathrm{res}(r)-V_i^\mathrm{ext}(r)\right)}\]
+
+
+
+

Heterosegmented chains

+

The expressions are more complex for models in which density profiles of individual segments are considered. A derivation is given in the appendix of Rehner et al. (2022). The resulting Euler-Lagrange equation is given as

+
+
+\[\rho_\alpha(r)=\Lambda_i^{-3}e^{\beta\left(\mu_i-\hat F_{\rho_\alpha}(r)-V_\alpha^\mathrm{ext}(r)\right)}\prod_{\alpha'}I_{\alpha\alpha'}(r)\]
+
+

with the bond integrals \(I_{\alpha\alpha'}(r)\) that are calculated recursively from

+
+
+\[I_{\alpha\alpha'}(r)=\int e^{-\beta\left(\hat{F}_{\rho_{\alpha'}}(r')+V_{\alpha'}^\mathrm{ext}(r')\right)}\left(\prod_{\alpha''\neq\alpha}I_{\alpha'\alpha''}(r)\right)\omega_\mathrm{chain}^{\alpha\alpha'}(r-r')\mathrm{d}r\]
+
+

The index \(\alpha\) is used for every segment on component \(i\), \(\alpha'\) refers to all segments bonded to segment \(\alpha\) and \(\alpha''\) to all segments bonded to \(\alpha'\). +For bulk systems the expressions simplify to

+
+
+\[\rho_\alpha^\mathrm{b}=\Lambda_i^{-3}e^{\beta\left(\mu_i-\sum_\gamma\hat F_{\rho_\gamma}^\mathrm{b,res}\right)}\]
+
+

which shows that, by construction, the density of every segment in a molecule is identical in a bulk system. The index \(\gamma\) refers to all segments on moecule \(i\). The expressions can be combined in a similar way as for the molecular DFT:

+
+
+\[\rho_\alpha(r)=\rho_\alpha^\mathrm{b}e^{\beta\left(\sum_\gamma\hat F_{\rho_\gamma}^\mathrm{b,res}-\hat F_{\rho_\alpha}^\mathrm{res}(r)-V_\alpha^\mathrm{ext}(r)\right)}\prod_{\alpha'}I_{\alpha\alpha'}(r)\]
+
+

At this point it can be numerically useful to redistribute the bulk contributions back into the bond integrals

+
+
+\[\rho_\alpha(r)=\rho_\alpha^\mathrm{b}e^{\beta\left(\hat F_{\rho_\alpha}^\mathrm{b,res}-\hat F_{\rho_\alpha}^\mathrm{res}(r)-V_\alpha^\mathrm{ext}(r)\right)}\prod_{\alpha'}I_{\alpha\alpha'}(r)\]
+
+
+
+\[I_{\alpha\alpha'}(r)=\int e^{\beta\left(\hat F_{\rho_{\alpha'}}^\mathrm{b,res}-\hat F_{\rho_{\alpha'}}^\mathrm{res}(r')-V_{\alpha'}^\mathrm{ext}(r')\right)}\left(\prod_{\alpha''\neq\alpha}I_{\alpha'\alpha''}(r)\right)\omega_\mathrm{chain}^{\alpha\alpha'}(r-r')\mathrm{d}r\]
+
+
+
+

Combined expression

+

To avoid having multiple implementations of the central part of the DFT code, the different descriptions of molecules can be combined in a single version of the Euler-Lagrange equation:

+
+
+\[\rho_\alpha(r)=\rho_\alpha^\mathrm{b}e^{\frac{\beta}{m_\alpha}\left(\hat F_{\rho_\alpha}^\mathrm{b,res}-\hat F_{\rho_\alpha}^\mathrm{res}(r)-V_\alpha^\mathrm{ext}(r)\right)}\prod_{\alpha'}I_{\alpha\alpha'}(r)\]
+
+
+
+\[I_{\alpha\alpha'}(r)=\int e^{\frac{\beta}{m_{\alpha'}}\left(\hat F_{\rho_{\alpha'}}^\mathrm{b,res}-\hat F_{\rho_{\alpha'}}^\mathrm{res}(r')-V_{\alpha'}^\mathrm{ext}(r')\right)}\left(\prod_{\alpha''\neq\alpha}I_{\alpha'\alpha''}(r')\right)\omega_\mathrm{chain}^{\alpha\alpha'}(r-r')\mathrm{d}r'\]
+
+

If molecules consist of single (possibly non-spherical) segments, the Euler-Lagrange equation simplifies to that of the homosegmented chains shown above. For heterosegmented chains, the correct expression is obtained by setting \(m_\alpha=1\).

+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/dft/functional_derivatives.html b/theory/dft/functional_derivatives.html new file mode 100644 index 000000000..4aea30f72 --- /dev/null +++ b/theory/dft/functional_derivatives.html @@ -0,0 +1,750 @@ + + + + + + + + + Functional derivatives - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Functional derivatives

+

In the last section the functional derivative

+
+
+\[\hat F_{\rho_\alpha}^\mathrm{res}(r)=\left(\frac{\delta\hat F^\mathrm{res}}{\delta\rho_\alpha(r)}\right)_{T,\rho_{\alpha'\neq\alpha}}\]
+
+

was introduced as part of the Euler-Lagrange equation. The implementation of these functional derivatives can be a major difficulty during the development of a new Helmholtz energy model. In \(\text{FeO}_\text{s}\) it is fully automated. The core assumption is that the residual Helmholtz energy functional \(\hat F^\mathrm{res}\) can be written as a sum of contributions that each can be written in the following way:

+
+
+\[F=\int f[\rho(r)]\mathrm{d}r=\int f(\lbrace n_\gamma\rbrace)\mathrm{d}r\]
+
+

The Helmholtz energy density \(f\) which would in general be a functional of the density itself can be expressed as a function of weighted densities \(n_\gamma\) which are obtained by convolving the density profiles with weight functions \(\omega_\gamma^\alpha\)

+
+
+\[n_\gamma(r)=\sum_\alpha\int\rho_\alpha(r')\omega_\gamma^\alpha(r-r')\mathrm{d}r'\tag{1}\]
+
+

In practice the weight functions tend to have simple shapes like step functions (i.e. the weighted density is an average over a sphere) or Dirac distributions (i.e. the weighted density is an average over the surface of a sphere).

+

For Helmholtz energy functionals that can be written in this form, the calculation of the functional derivative can be automated. In general the functional derivative can be written as

+
+
+\[F_{\rho_\alpha}(r)=\int\frac{\delta f(r')}{\delta\rho_\alpha(r)}\mathrm{d}r'=\int\sum_\gamma f_{n_\gamma}(r')\frac{\delta n_\gamma(r')}{\delta\rho_\alpha(r)}\mathrm{d}r'\]
+
+

with \(f_{n_\gamma}\) as abbreviation for the partial derivative \(\frac{\partial f}{\partial n_\gamma}\). Using the definition of the weighted densities (1), the expression can be rewritten as

+
+
+\[\begin{split}\begin{align} +F_{\rho_\alpha}(r)&=\int\sum_\gamma f_{n_\gamma}(r')\frac{\delta n_\gamma(r')}{\delta\rho_\alpha(r)}\mathrm{d}r'=\int\sum_\gamma f_{n_\gamma}(r')\sum_{\alpha'}\int\underbrace{\frac{\delta\rho_{\alpha'}(r'')}{\delta\rho_\alpha(r)}}_{\delta(r-r'')\delta_{\alpha\alpha'}}\omega_\gamma^{\alpha'}(r'-r'')\mathrm{d}r''\mathrm{d}r'\\ +&=\sum_\gamma\int f_{n_\gamma}(r')\omega_\gamma^\alpha(r'-r)\mathrm{d}r +\end{align}\end{split}\]
+
+

At this point the parity of the weight functions has to be taken into account. By construction scalar and spherically symmetric weight functions (the standard case) are even functions, i.e., \(\omega(-r)=\omega(r)\). In contrast, vector valued weight functions, as they appear in fundamental measure theory, are odd functions, i.e., \(\omega(-r)=-\omega(r)\). Therefore, the sum over the weight functions needs to be split into two contributions, as

+
+
+\[F_{\rho_\alpha}(r)=\sum_\gamma^\mathrm{scal}\int f_{n_\gamma}(r')\omega_\gamma^\alpha(r-r')\mathrm{d}r-\sum_\gamma^\mathrm{vec}\int f_{n_\gamma}(r')\omega_\gamma^\alpha(r-r')\mathrm{d}r\tag{2}\]
+
+

With this distinction, the calculation of the functional derivative is split into three steps

+
    +
  1. Calculate the weighted densities \(n_\gamma\) from eq. (1)

  2. +
  3. Evaluate the partial derivatives \(f_{n_\gamma}\)

  4. +
  5. Use eq. (2) to obtain the functional derivative \(F_{\rho_\alpha}\)

  6. +
+

A fast method to calculate the convolution integrals required in steps 1 and 3 is shown in the next section.

+

The implementation of partial derivatives by hand can be cumbersome and error prone. \(\text{FeO}_\text{s}\) uses automatic differentiation with dual numbers to facilitate this step. For details about dual numbers and their generalization, we refer to our publication. The essential relation is that the Helmholtz energy density evaluated with a dual number as input for one of the weighted densities evaluates to a dual number with the function value as real part and the partial derivative as dual part.

+
+
+\[f(n_\gamma+\varepsilon,\lbrace n_{\gamma'\neq\gamma}\rbrace)=f+f_{n_\gamma}\varepsilon\]
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/dft/ideal_gas.html b/theory/dft/ideal_gas.html new file mode 100644 index 000000000..ffbec6d0a --- /dev/null +++ b/theory/dft/ideal_gas.html @@ -0,0 +1,744 @@ + + + + + + + + + Ideal gas properties - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Ideal gas properties

+

Classical DFT can be used to rapidly determine the ideal gas limit of fluids in porous media. In an ideal gas, there are no interactions between the fluid molecules and therefore the residual Helmholtz energy \(F^\mathrm{res}\) and its derivatives vanish. Note that this is only the case for spherical or heterosegmented molecules (\(m_\alpha=1\)), as the chain contribution in the homosegmented model contains intramolecular interactions. The ideal gas density profile can then be obtained directly from the Euler-Lagrange equation:

+
+
+(1)\[\rho_\alpha^\mathrm{ig}(\mathbf{r})=\rho_\alpha^\mathrm{b}e^{-\beta V_\alpha^\mathrm{ext}(\mathbf{r})}\prod_{\alpha'}I^\mathrm{ig}_{\alpha\alpha'}(\mathbf{r})\]
+
+
+
+\[I^\mathrm{ig}_{\alpha\alpha'}(\mathbf{r})=\int e^{-\beta V_{\alpha'}^\mathrm{ext}(\mathbf{r'})}\left(\prod_{\alpha''\neq\alpha}I^\mathrm{ig}_{\alpha'\alpha''}(\mathbf{r'})\right)\omega_\mathrm{chain}^{\alpha\alpha'}(\mathbf{r}-\mathbf{r'})\mathrm{d}\mathbf{r'}\]
+
+

Either from the derivatives presented previously, or from directly calculating derivatives of eq. (1), the Henry coefficient \(H_\alpha\) can be calculated, as

+
+
+\[H_\alpha(T)=\left(\frac{\partial N_\alpha^\mathrm{ig}}{\partial p_\alpha}\right)_{T,x_k}=\int\left(\frac{\partial\rho_\alpha^\mathrm{ig}(\mathbf{r})}{\partial p_\alpha}\right)_{T,x_k}\mathrm{d}\mathbf{r}=\beta\int e^{-\beta V_\alpha^\mathrm{ext}(\mathbf{r})}\prod_{\alpha'}I^\mathrm{ig}_{\alpha\alpha'}(\mathbf{r})\mathrm{d}\mathbf{r}\]
+
+

By construction the Henry coefficients for all segments \(\alpha\) of a molecule \(i\) are identical. Therefore, the number of adsorbed molecules in an ideal gas state (the Henry regime) can be calculated from

+
+
+\[N_i^\mathrm{ig}=k_\mathrm{B}T\rho_i^\mathrm{b}H_i(T)\]
+
+

The expression can be used in the general equation for the enthalpy of adsorption (see here)

+
+
+\[0=\sum_j\left(\frac{\partial N_i^\mathrm{ig}}{\partial\mu_j}\right)_T\Delta h_j^\mathrm{ads,ig}+T\left(\frac{\partial N_i^\mathrm{ig}}{\partial T}\right)_{p,x_k}\]
+
+

to simplify to

+
+
+\[0=\rho_i^\mathrm{b}H_i(T)\Delta h_i^\mathrm{ads,ig}+k_\mathrm{B}T^2\rho_i^\mathrm{b}H_i'(T)\]
+
+

and finally

+
+
+\[\Delta h_i^\mathrm{ads,ig}=-k_\mathrm{B}T^2\frac{H_i'(T)}{H_i(T)}\]
+
+

For a spherical molecule without bond integrals, the derivative can be evaluated straightforwardly to yield

+
+
+\[\Delta h_i^\mathrm{ads,ig}=\frac{\int\left(k_\mathrm{B}T-V_i^\mathrm{ext}(\mathbf{r})\right)e^{-\beta V_i^\mathrm{ext}(\mathbf{r})}\mathrm{d}\mathbf{r}}{\int e^{-\beta V_i^\mathrm{ext}(\mathbf{r})}\mathrm{d}\mathbf{r}}\]
+
+

Analytical derivatives of the bond integrals can be determined, however, in \(\text{FeO}_\text{s}\) automatic differentiation with dual numbers is used to obtain correct derivatives with barely any implementation overhead.

+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/dft/index.html b/theory/dft/index.html new file mode 100644 index 000000000..40eb8fd02 --- /dev/null +++ b/theory/dft/index.html @@ -0,0 +1,717 @@ + + + + + + + + + Classical density functional theory - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+ +
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/dft/pdgt.html b/theory/dft/pdgt.html new file mode 100644 index 000000000..d94f9721c --- /dev/null +++ b/theory/dft/pdgt.html @@ -0,0 +1,757 @@ + + + + + + + + + Predictive density gradient theory - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Predictive density gradient theory

+

Predictive density gradient theory (pDGT) is an efficient approach for the prediction of surface tensions, which is derived from non-local DFT, see Rehner et al. (2018). A gradient expansion is applied to the weighted densities of the Helmholtz energy functional to second order as well as to the Helmholtz energy density to first order.

+

Weighted densities (in non-local DFT) are determined from

+
+
+\[ n_\alpha(\mathbf{r})=\sum_in_\alpha^i(\mathbf{r})=\sum_i\int\rho_i(\mathbf{r}- \mathbf{r}')\omega_\alpha^i(\mathbf{r}')\mathrm{d}\mathbf{r}'.\]
+
+

These convolutions are time-consuming calculations. Therefore, these equations are simplified by using a Taylor expansion around \(\mathbf{r}\) for the density of each component \(\rho_i\) as

+
+
+\[\rho_i(\mathbf{r}-\mathbf{r}')=\rho_i(\mathbf{r})-\nabla\rho_i(\mathbf{r})\cdot \mathbf{r}'+\frac{1}{2}\nabla\nabla\rho(\mathbf{r}):\mathbf{r}'\mathbf{r}'+\ldots\]
+
+

In the convolution integrals, the integration over angles can now be performed analytically for the spherically symmetric weight functions \(\omega_\alpha^i(\mathbf{r})=\omega_\alpha^i(r)\) +which provides

+
+
+\[ n_\alpha^i(\mathbf{r})=\rho_i(\mathbf{r})\underbrace{4\pi\int_0^\infty \omega_\alpha^i(r)r^2\mathrm{d} r}_{\omega_\alpha^{i0}} + +\nabla^2\rho_i(\mathbf{r})\underbrace{\frac{2}{3}\pi\int_0^\infty\omega_\alpha^i(r)r^4\mathrm{d} r}_{\omega_\alpha^{i2}}+\ldots\]
+
+

with the weight constants \(\omega_\alpha^{i0}\) and \(\omega_\alpha^{i2}\).

+

The resulting weighted densities can be split into a local part \(n_\alpha^0(\mathbf{r})\) and an excess part \(\Delta n_\alpha(\mathbf{r})\) as

+
+
+\[n_\alpha(\mathbf{r})=\underbrace{\sum_i\rho_i(\mathbf{r}) \omega_\alpha^{i0}}_{n_\alpha^0} +\underbrace{\sum_i\nabla^2\rho_i(\mathbf{r})\omega_\alpha^{i2}+\ldots}_{\Delta n_\alpha}.\]
+
+

The second simplification is the expansion of the reduced residual +Helmholtz energy density \(\Phi(\{ n_\alpha\})\) around the local density approximation truncated after the second term

+
+
+\[ \Phi(\lbrace n_\alpha\rbrace) + =\Phi(\lbrace n_\alpha^0\rbrace) + +\sum_i\sum_\alpha\frac{\partial\Phi}{\partial n_\alpha}\omega_\alpha^{i2}\nabla^2\rho_i + \ldots \]
+
+

The Helmholtz energy functional (which was introduced in the section about the Euler-Lagrange equation) then reads

+
+
+\[ F[\mathbf{\rho}(\mathbf{r})]=\int\left(f(\mathbf{\rho})+\sum_{ij}\frac{c_{ij}(\mathbf{\rho})}{2}\nabla\rho_i\cdot\nabla\rho_j\right)\mathrm{d}\mathbf{r}\]
+
+

with the density dependent influence parameter

+
+
+\[ \beta c_{ij}(\mathbf{\rho})=-\sum_{\alpha\beta}\frac{\partial^2\Phi}{\partial n_\alpha\partial n_\beta}\left(\omega_\alpha^{i2}\omega_\beta^{j0}+ \omega_\alpha^{i0}\omega_\beta^{j2}\right).\]
+
+

and the local Helmholtz energy density \(f(\mathbf{\rho})\).

+

For pure components, as derived in the original publication, the surface tension can be calculated from the surface excess grand potential per area according to

+
+
+\[ \gamma=\frac{F-\mu N+pV}{A}=\int_{\rho^\mathrm{V}}^{\rho^\mathrm{L}} \sqrt{2c \left(f(\rho)-\rho\mu+p\right) } d\rho \]
+
+

Thus, no iterative solver is necessary to calculate the surface tension of pure components, which is a major advantage of pDGT. Finally, the density profile can be calculated from

+
+
+\[ z(\rho)=\int_{\rho^\mathrm{V}}^{\rho} \sqrt{\frac{c/2}{ f(\rho)-\rho\mu+p} } d\rho \]
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/dft/solver.html b/theory/dft/solver.html new file mode 100644 index 000000000..05e6b56c6 --- /dev/null +++ b/theory/dft/solver.html @@ -0,0 +1,857 @@ + + + + + + + + + DFT solvers - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

DFT solvers

+

Different solvers can be used to calculate the density profiles from the Euler-Lagrange equation introduced previously. The solvers differ in their stability, the rate of convergence, and the execution time. Unfortunately, the optimal solver and solver parameters depend on the studied system.

+
+

Picard iteration

+

The form of the Euler-Lagrange equation

+
+
+\[\rho_\alpha(r)=\underbrace{\rho_\alpha^\mathrm{b}e^{\frac{\beta}{m_\alpha}\left(\hat F_{\rho_\alpha}^\mathrm{b,res}-\hat F_{\rho_\alpha}^\mathrm{res}(r)-V_\alpha^\mathrm{ext}(r)\right)}\prod_{\alpha'}I_{\alpha\alpha'}(r)}_{\equiv \mathcal{P}_\alpha(r;[\rho(r)])}\]
+
+

suggests using a simple fixed point iteration

+
+
+\[\rho_\alpha^{(k+1)}(r)=\mathcal{P}_\alpha\left(r;\left[\rho^{(k)}(r)\right]\right)\]
+
+

Except for some systems – typically at low densities – this iteration is unstable. Instead the new solution is obtained as combination of the old solution and the projected solution \(\mathcal{P}\)

+
+
+\[\rho_\alpha^{(k+1)}(r)=(1-\nu)\rho_\alpha^{(k)}(r)+\nu\mathcal{P}_\alpha\left(r;\left[\rho^{(k)}(r)\right]\right)\]
+
+

The weighting between the old and projected solution is specified by the damping coefficient \(\nu\). The expression can be rewritten as

+
+
+\[\rho_\alpha^{(k+1)}(r)=\rho_\alpha^{(k)}(r)+\nu\Delta\rho_\alpha^{(k)}(r)\]
+
+

with the search direction \(\Delta\rho_\alpha(r)\) which is identical to the residual \(\mathcal{F}_\alpha\left(r;\left[\rho(r)\right]\right)\)

+
+
+\[\Delta\rho_\alpha(r)=\mathcal{F}_\alpha\left(r;\left[\rho(r)\right]\right)\equiv\mathcal{P}_\alpha\left(r;\left[\rho(r)\right]\right)-\rho_\alpha(r)\]
+
+

The Euler-Lagrange equation can be reformulated as the “logarithmic” version

+
+
+\[\ln\rho_\alpha(r)=\ln\mathcal{P}_\alpha\left(r;\left[\rho(r)\right]\right)\]
+
+

Then repeating the same steps as above leads to the “logarithmic” Picard iteration

+
+
+\[\ln\rho_\alpha^{(k+1)}(r)=\ln\rho_\alpha^{(k)}(r)+\nu\Delta\ln\rho_\alpha^{(k)}(r)\]
+
+

or

+
+
+\[\rho_\alpha^{(k+1)}(r)=\rho_\alpha^{(k)}(r)e^{\nu\Delta\ln\rho_\alpha^{(k)}(r)}\]
+
+

with

+
+
+\[\Delta\ln\rho_\alpha(r)=\mathcal{\hat F}_\alpha\left(r;\left[\rho(r)\right]\right)\equiv\ln\mathcal{P}_\alpha\left(r;\left[\rho(r)\right]\right)-\ln\rho_\alpha(r)\]
+
+
+
+

Newton algorithm

+

A Newton iteration is a more refined approach to calculate the roots of the residual \(\mathcal{F}\). From a Taylor expansion of the residual

+
+
+\[\mathcal{F}_\alpha\left(r;\left[\rho(r)+\Delta\rho(r)\right]\right)=\mathcal{F}_\alpha\left(r;\left[\rho(r)\right]\right)+\int\sum_\beta\frac{\delta\mathcal{F}_\alpha\left(r;\left[\rho(r)\right]\right)}{\delta\rho_\beta(r')}\Delta\rho_\beta(r')\mathrm{d}r'+\ldots\]
+
+

the Newton step is derived by setting the updated residual \(\mathcal{F}_\alpha[\rho(r)+\Delta\rho(r)]\) to 0 and neglecting higher order terms.

+
+
+(1)\[\mathcal{F}_\alpha\left(r;\left[\rho(r)\right]\right)=-\int\sum_\beta\frac{\delta\mathcal{F}_\alpha\left(r;\left[\rho(r)\right]\right)}{\delta\rho_\beta(r')}\Delta\rho_\beta(r')\mathrm{d}r'\]
+
+

The linear integral equation has to be solved for the step \(\Delta\rho(r)\). Explicitly evaluating the functional derivatives of the residuals is not feasible due to their high dimensionality. Instead, a matrix-free linear solver like GMRES can be used. For GMRES only the action of the linear system on the variable is required (an evaluation of the right-hand side in the equation above for a given \(\Delta\rho\)). This action can be approximated numerically via

+
+
+\[\int\sum_\beta\frac{\delta\mathcal{F}_\alpha\left(r;\left[\rho(r)\right]\right)}{\delta\rho_\beta(r')}\Delta\rho_\beta(r')\mathrm{d}r'\approx\frac{\mathcal{F}_\alpha\left(r;\left[\rho(r)+s\Delta\rho(r)\right]\right)-\mathcal{F}_\alpha\left(r;\left[\rho(r)\right]\right)}{s}\]
+
+

However this approach requires the choice of an appropriate step size \(s\) (something that we want to avoid in \(\text{FeO}_\text{s}\)) and also an evaluation of the full residual in every step of the linear solver. The solver can be sped up by doing parts of the functional derivative analytically beforehand. Using the definition of the residual in the rhs of eq. (1) leads to

+
+
+\[\begin{split}\begin{align*} +q_\alpha(r)&\equiv-\int\sum_\beta\frac{\delta\mathcal{F}_\alpha\left(r;\left[\rho(r)\right]\right)}{\delta\rho_\beta(r')}\Delta\rho_\beta(r')\mathrm{d}r'\\ +&=\int\sum_\beta\frac{\delta}{\delta\rho_\beta(r')}\left(\rho_\alpha(r)-\rho_\alpha^\mathrm{b}e^{\frac{\beta}{m_\alpha}\left(\hat F_{\rho_\alpha}^\mathrm{b,res}-\hat F_{\rho_\alpha}^\mathrm{res}(r)-V_\alpha^\mathrm{ext}(r)\right)}\prod_{\alpha'}I_{\alpha\alpha'}(r)\right)\Delta\rho_\beta(r')\mathrm{d}r' +\end{align*}\end{split}\]
+
+

The functional derivative can be simplified using \(\hat F_{\rho_\alpha\rho_\beta}^\mathrm{res}(r,r')=\frac{\delta \hat F_{\rho_\alpha}^\mathrm{b,res}(r)}{\delta\rho_\beta(r')}=\frac{\delta^2\hat F^\mathrm{b,res}}{\delta\rho_\alpha(r)\delta\rho_\beta(r')}\)

+
+
+\[\begin{split}\begin{align*} +q_\alpha(r)&=\int\sum_\beta\left(\delta_{\alpha\beta}\delta(r-r')+\left(\frac{\beta}{m_\alpha}\hat F_{\rho_\alpha\rho_\beta}^\mathrm{res}(r,r')-\sum_{\alpha'}\frac{1}{I_{\alpha\alpha'}(r)}\frac{\delta I_{\alpha\alpha'}(r)}{\delta\rho_\beta(r')}\right)\right.\\ +&~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\left.\times\rho_\alpha^\mathrm{b}e^{\frac{\beta}{m_\alpha}\left(\hat F_{\rho_\alpha}^\mathrm{b,res}-\hat F_{\rho_\alpha}^\mathrm{res}(r)-V_\alpha^\mathrm{ext}(r)\right)}\prod_{\alpha'}I_{\alpha\alpha'}(r)\right)\Delta\rho_\beta(r')\mathrm{d}r'\\ +&=\Delta\rho_\alpha(r)+\left(\frac{\beta}{m_\alpha}\underbrace{\int\sum_\beta\hat F_{\rho_\alpha\rho_\beta}^\mathrm{res}(r,r')\Delta\rho_\beta(r')\mathrm{d}r'}_{\Delta\hat F_{\rho_\alpha}^\mathrm{res}(r)}-\sum_{\alpha'}\frac{1}{I_{\alpha\alpha'}(r)}\underbrace{\int\sum_\beta\frac{\delta I_{\alpha\alpha'}(r)}{\delta\rho_\beta(r')}\Delta\rho_\beta(r')\mathrm{d}r'}_{\Delta I_{\alpha\alpha'}(r)}\right)\\ +&~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\times\rho_\alpha^\mathrm{b}e^{\frac{\beta}{m_\alpha}\left(\hat F_{\rho_\alpha}^\mathrm{b,res}-\hat F_{\rho_\alpha}^\mathrm{res}(r)-V_\alpha^\mathrm{ext}(r)\right)}\prod_{\alpha'}I_{\alpha\alpha'}(r) +\end{align*}\end{split}\]
+
+

and finally

+
+
+(2)\[q_\alpha(r)=\Delta\rho_\alpha(r)+\left(\frac{\beta}{m_\alpha}\Delta\hat F_{\rho_\alpha}^\mathrm{res}(r)-\sum_{\alpha'}\frac{\Delta I_{\alpha\alpha'}(r)}{I_{\alpha\alpha'}(r)}\right)\mathcal{P}_\alpha\left(r;\left[\rho(r)\right]\right)\]
+
+

Neglecting the second term in eq. (2) leads to \(\Delta_\alpha(r)=\mathcal{F}_\alpha\left(r;\left[\rho(r)\right]\right)\) which is the search direction of the Picard iteration. This observation implies that the Picard iteration is an approximation of the Newton solver that neglects the residual contribution to the Jacobian. Only using the ideal gas contribution to the Jacobian is a reasonable approximation for low densities and therefore, the Picard iteration converges quickly (with a large damping coefficient \(\nu\)) for low densities.

+

The second functional derivative of the residual Helmholtz energy can be rewritten in terms of the weight functions.

+
+
+\[\hat F_{\rho_\alpha\rho_\beta}^\mathrm{res}(r,r')=\int\frac{\delta\hat f^\mathrm{res}(r'')}{\delta\rho_\alpha(r)\delta\rho_\beta(r')}\mathrm{d}r''=\int\sum_{\alpha\beta}\hat f^\mathrm{res}_{\alpha\beta}(r'')\frac{\delta n_\alpha(r'')}{\delta\rho_\alpha(r)}\frac{\delta n_\beta(r'')}{\delta\rho_\beta(r')}\mathrm{d}r''\]
+
+

Here \(\hat f^\mathrm{res}_{\alpha\beta}=\frac{\partial^2\hat f^\mathrm{res}}{\partial n_\alpha\partial n_\beta}\) is the second partial derivative of the reduced Helmholtz energy density with respect to the weighted densities \(n_\alpha\) and \(n_\beta\). The definition of the weighted densities \(n_\alpha(r)=\sum_\alpha\int\rho_\alpha(r')\omega_\alpha^i(r-r')\mathrm{d}r'\) is used to simplify the expression further.

+
+
+\[\hat F_{\rho_\alpha\rho_\beta}^\mathrm{res}(r,r')=\int\sum_{\alpha\beta}\hat f^\mathrm{res}_{\alpha\beta}(r'')\omega_\alpha^i(r''-r)\omega_\beta^j(r''-r')\mathrm{d}r''\]
+
+

With that, \(\Delta\hat F_{\rho_\alpha}^\mathrm{res}(r)\) can be rewritten as

+
+
+(3)\[\begin{split}\begin{align*} +\Delta\hat F_{\rho_\alpha}^\mathrm{res}(r)&=\int\sum_{\alpha\beta}\hat f^\mathrm{res}_{\alpha\beta}(r'')\omega_\alpha^i(r''-r)\underbrace{\sum_\beta\int\omega_\beta^j(r''-r')\Delta\rho_\beta(r')\mathrm{d}r'}_{\Delta n_\beta(r'')}\mathrm{d}r''\\ +&=\int\sum_\alpha\sum_\beta \hat f^\mathrm{res}_{\alpha\beta}(r'')\Delta n_\beta(r'')\omega_\alpha^i(r''-r)\mathrm{d}r'' +\end{align*}\end{split}\]
+
+

To simplify the expression for \(\Delta I_{\alpha\alpha'}(r)\), the recursive definition of the bond integrals is used.

+
+
+\[\begin{split}\begin{align*} +\Delta I_{\alpha\alpha'}(r)&=\iint\sum_\beta\frac{\delta}{\delta\rho_\beta(r'')}\left(e^{\frac{\beta}{m_{\alpha'}}\left(\hat F_{\rho_{\alpha'}}^\mathrm{b,res}-\hat F_{\rho_{\alpha'}}^\mathrm{res}(r')-V_{\alpha'}^\mathrm{ext}(r')\right)}\left(\prod_{\alpha''\neq\alpha}I_{\alpha'\alpha''}(r')\right)\omega_\mathrm{chain}^{\alpha\alpha'}(r-r')\right)\\ +&~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\times\Delta\rho_\beta(r'')\mathrm{d}r'\mathrm{d}r''\\ +&=\iint\sum_\beta\left(-\frac{\beta}{m_{\alpha'}}\hat F_{\rho_{\alpha'}\rho_\beta}^\mathrm{res}(r',r'')+\sum_{\alpha''\neq\alpha}\frac{1}{I_{\alpha'\alpha''}(r')}\frac{\delta I_{\alpha'\alpha''}(r')}{\delta\rho_\beta(r'')}\right)e^{\frac{\beta}{m_{\alpha'}}\left(\hat F_{\rho_{\alpha'}}^\mathrm{b,res}-\hat F_{\rho_{\alpha'}}^\mathrm{res}(r')-V_{\alpha'}^\mathrm{ext}(r')\right)}\\ +&~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\times\left(\prod_{\alpha''\neq\alpha}I_{\alpha'\alpha''}(r')\right)\omega_\mathrm{chain}^{\alpha\alpha'}(r-r')\Delta\rho_\beta(r'')\mathrm{d}r'\mathrm{d}r'' +\end{align*}\end{split}\]
+
+

Here, the definition of \(\Delta\hat F_{\rho_\alpha}^\mathrm{res}(r)\) and \(\Delta I_{\alpha\alpha'}(r)\) can be inserted leading to a recursive calculation of \(\Delta I_{\alpha\alpha'}(r)\) similar to the original bond integrals.

+
+
+(4)\[\begin{split}\begin{align*} +\Delta I_{\alpha\alpha'}(r)&=\int\left(-\frac{\beta}{m_{\alpha'}}\Delta\hat F_{\rho_{\alpha'}}^\mathrm{res}(r')+\sum_{\alpha''\neq\alpha}\frac{\Delta I_{\alpha'\alpha''}(r')}{I_{\alpha'\alpha''}(r')}\right)\\ +&~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\times e^{\frac{\beta}{m_{\alpha'}}\left(\hat F_{\rho_{\alpha'}}^\mathrm{b,res}-\hat F_{\rho_{\alpha'}}^\mathrm{res}(r')-V_{\alpha'}^\mathrm{ext}(r')\right)}\left(\prod_{\alpha''\neq\alpha}I_{\alpha'\alpha''}(r')\right)\omega_\mathrm{chain}^{\alpha\alpha'}(r-r')\mathrm{d}r' +\end{align*}\end{split}\]
+
+

In every iteration of GMRES, \(q(r)\) needs to be evaluated from eqs. (2), (3) and (4). The operations required for that are analogous to the calculation of weighted densities and the functional derivative in the Euler-Lagrange equation itself. Details of GMRES, including the pseudocode that the implementation in \(\text{FeO}_\text{s}\) is based on, are given on Wikipedia (German).

+

The Newton solver converges exceptionally fast compared to a simple Picard iteration. The faster convergence comes at the cost of requiring multiple steps for solving the linear subsystem. With the algorithm outlined here, the evaluation of the second partial derivatives of the Helmholtz energy density is only required once for every Newton step. The GMRES algorithm only uses the very efficient convolution integrals and no additional evaluation of the model.

+
+
+

Anderson mixing

+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/eos/critical_points.html b/theory/eos/critical_points.html new file mode 100644 index 000000000..e08420f2b --- /dev/null +++ b/theory/eos/critical_points.html @@ -0,0 +1,763 @@ + + + + + + + + + Stability and critical points - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Stability and critical points

+

The implementation of critical points in \(\text{FeO}_\text{s}\) follows the algorithm by Michelsen and Mollerup. A necessary condition for stability is the positive-definiteness of the quadratic form (Heidemann and Khalil 1980)

+
+
+\[\sum_{ij}\left(\frac{\partial^2 A}{\partial N_i\partial N_j}\right)_{T,V}\Delta N_i\Delta N_j\]
+
+

The spinodal or limit of stability consists of the points for which the quadratic form is positive semi-definite. Following Michelsen and Mollerup, the matrix \(M\) can be defined as

+
+
+\[M_{ij}=\sqrt{z_iz_j}\left(\frac{\partial^2\beta A}{\partial N_i\partial N_j}\right)\]
+
+

with the molar compositon \(z_i\). Further, the variable \(s\) is introduced that acts on the mole numbers \(N_i\) via

+
+
+\[N_i=z_i+su_i\sqrt{z_i}\]
+
+

with \(u_i\) the elements of the eigenvector of \(M\) corresponding to the smallest eigenvector \(\lambda_1\). Then, the limit of stability can be expressed as

+
+
+\[c_1=\left.\frac{\partial^2\beta A}{\partial s^2}\right|_{s=0}=\sum_{ij}u_iu_jM_{ij}=\lambda_1=0\]
+
+

A critical point is defined as a stable point on the limit of stability. This leads to the second criticality condition

+
+
+\[c_2=\left.\frac{\partial^3\beta A}{\partial s^3}\right|_{s=0}=0\]
+
+

The derivatives of the Helmholtz energy can be calculated efficiently in a single evaluation using generalized hyper-dual numbers. The following methods of State are available to determine spinodal or critical points for different specifications:

+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

specified

unkonwns

equations

spinodal

\(T,N_i\)

\(\rho\)

\(c_1(T,\rho,N_i)=0\)

critical_point

\(N_i\)

\(T,\rho\)

\(c_1(T,\rho,N_i)=0\)
\(c_2(T,\rho,N_i)=0\)

critical_point_binary_t

\(T\)

\(\rho_1,\rho_2\)

\(c_1(T,\rho_1,\rho_2)=0\)
\(c_2(T,\rho_1,\rho_2)=0\)

critical_point_binary_p

\(p\)

\(T,\rho_1,\rho_2\)

\(c_1(T,\rho_1,\rho_2)=0\)
\(c_2(T,\rho_1,\rho_2)=0\)
\(p(T,\rho_1,\rho_2)=p\)

+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/eos/index.html b/theory/eos/index.html new file mode 100644 index 000000000..ba4b455b2 --- /dev/null +++ b/theory/eos/index.html @@ -0,0 +1,712 @@ + + + + + + + + + Equations of state - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Equations of state

+

This section explains the thermodynamic principles and algorithms used for equation of state modeling in \(\text{FeO}_\text{s}\).

+ +

It is currently still under construction. You can help by contributing.

+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/eos/properties.html b/theory/eos/properties.html new file mode 100644 index 000000000..4300d0a97 --- /dev/null +++ b/theory/eos/properties.html @@ -0,0 +1,1078 @@ + + + + + + + + + Properties - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Properties

+

(Bulk) equilibrium properties can be calculated as derivatives of a thermodynamic potential. In the case of equations of state, this thermodynamic potential is the Helmholtz energy \(A\) as a function of its characteristic variables temperature \(T\), volume \(V\), and amount of substance of each component \(n_i\). Examples for common (measurable) properties that are calculated from an equation of state are the pressure

+
+
+\[p=-\left(\frac{\partial A}{\partial V}\right)_{T,n_i}\]
+
+

and the isochoric heat capacity

+
+
+\[c_V=\frac{1}{n}\left(\frac{\partial U}{\partial T}\right)_{V,n_i}=\frac{T}{n}\left(\frac{\partial S}{\partial T}\right)_{V,n_i}=-\frac{T}{n}\left(\frac{\partial^2 A}{\partial T^2}\right)_{V,n_i}\]
+
+

with the total number of particles \(n=\sum_i n_i\), the internal energy \(U\), and the entropy \(S\).

+
+

Residual properties

+

In most cases, the total value of a property is required because it is the one which can actually be measured. However, for some applications, e.g. phase equilibria or entropy scaling, residual properties are useful. Residual properties are based on the separation of the Helmholtz energy in an ideal gas (\(\mathrm{ig}\)) contribution and a residual (\(\mathrm{res}\)) contribution:

+
+
+\[A=A^\mathrm{ig}+A^\mathrm{res}\]
+
+

The ideal gas contribution contains only kinetic and intramolecular energies and can be derived from statistical mechanics as

+
+
+(1)\[A^\mathrm{ig}(T,V,n_i)=RT\sum_in_i\left(\ln\left(\frac{n_i\Lambda_i^3}{V}\right)-1\right)\]
+
+

with the thermal de Broglie wavelength \(\Lambda_i\) that only depends on the temperature. Residual properties depend on the reference state. The two commonly used reference states are at constant volume or at constant pressure, i.e.,

+
+
+(2)\[A=A^\mathrm{ig,V}(T,V,n_i)+A^\mathrm{res,V}(T,V,n_i)=A^\mathrm{ig,p}(T,p,n_i)+A^\mathrm{res,p}(T,p,n_i)\]
+
+

Because the Helmholtz energy is expressed in \(T\), \(V\) and \(n_i\), residual properties at constant volume can be evaluated straightforwardly. If a property \(X\) is calculated from the Helmholtz energy via the differential operator \(\mathcal{D}\), i.e., \(X=\mathcal{D}\left(A\right)\), then the residual contributions is calculated from

+
+
+\[X^\mathrm{res,V}=\mathcal{D}\left(A\right)-\mathcal{D}\left(A^\mathrm{ig,V}\right)\]
+
+

In cases where the operator \(\mathcal{D}\) is linear, the expression can be simplified to

+
+
+\[X^\mathrm{res,V}=\mathcal{D}\left(A-A^\mathrm{ig,V}\right)=\mathcal{D}\left(A^\mathrm{res,V}\right)\]
+
+

For residual properties at constant pressure, the reference state has to be evaluated for an ideal gas volume that corresponds to the constant pressure

+
+
+\[A^\mathrm{ig,p}(T,p,n_i)=A^\mathrm{ig,V}\left(T,V^\mathrm{ig}(T,p,n_i),n_i\right)=A^\mathrm{ig,V}\left(T,\frac{nRT}{p},n_i\right)\]
+
+

Then the residual contribution for \(X\) can be evaluated as

+
+
+\[X^\mathrm{res,p}=\mathcal{D}\left(A\right)-\mathcal{D}\left(A^\mathrm{ig,p}\right)\]
+
+

For linear operators \(\mathcal{D}\) eqs. (1) and (2) can be used to simplify the expression

+
+
+\[X^\mathrm{res,p}=\mathcal{D}\left(A-A^\mathrm{ig,p}\right)=\mathcal{D}\left(A^\mathrm{ig,V}\right)-\mathcal{D}\left(nRT\ln Z\right)\]
+
+

with the compressiblity factor \(Z=\frac{pV}{nRT}\).

+

For details on how the evaluation of properties from Helmholtz energy models is implemented in \(\text{FeO}_\text{s}\) check out the Rust guide.

+
+
+

List of properties available in \(\text{FeO}_\text{s}\)

+

The table below lists all properties that are available in \(\text{FeO}_\text{s}\), their definition, and whether they can be evaluated as residual contributions as well.

+

In general, the evaluation of (total) Helmholtz energies and their derivatives requires a model for the residual Helmholtz energy and a model for the ideal gas contribution, specifically for the temperature dependence of the thermal de Broglie wavelength \(\Lambda_i\). However, for many properties like the pressure including its derivatives and fugacity coefficients, the de Broglie wavelength cancels out.

+

Due to different language paradigms, \(\text{FeO}_\text{s}\) handles the ideal gas term slightly different in Rust and Python.

+
    +
  • In Rust, if no ideal gas model is provided, users can only evaluate properties for which no ideal gas model is required because the de Broglie wavelength cancels. For those properties that require an ideal gas model but the table below indicates that they can be evaluated as residual, extra functions are provided.

  • +
  • In Python, no additional functions are required, instead the property evaluation will throw an exception if an ideal gas contribution is required but not provided.

  • +
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Name

definition

ideal gas model required?

residual?

Total molar weight \(MW\)

\(\sum_ix_iMW_i\)

no

no

Mass of each component \(m_i\)

\(n_iMW_i\)

no

no

Total mass \(m\)

\(\sum_im_i=nMW\)

no

no

Mass density \(\rho^{(m)}\)

\(\frac{m}{V}\)

no

no

Mass fractions \(w_i\)

\(\frac{m_i}{m}\)

no

no

Pressure \(p\)

\(-\left(\frac{\partial A}{\partial V}\right)_{T,n_i}\)

no

yes

Compressibility factor \(Z\)

\(\frac{pV}{nRT}\)

no

yes

Partial derivative of pressure w.r.t. volume

\(\left(\frac{\partial p}{\partial V}\right)_{T,n_i}\)

no

yes

Partial derivative of pressure w.r.t. density

\(\left(\frac{\partial p}{\partial \rho}\right)_{T,n_i}\)

no

yes

Partial derivative of pressure w.r.t. temperature

\(\left(\frac{\partial p}{\partial T}\right)_{V,n_i}\)

no

yes

Partial derivative of pressure w.r.t. moles

\(\left(\frac{\partial p}{\partial n_i}\right)_{T,V,n_j}\)

no

yes

Second partial derivative of pressure w.r.t. volume

\(\left(\frac{\partial^2 p}{\partial V^2}\right)_{T,n_i}\)

no

yes

Second partial derivative of pressure w.r.t. density

\(\left(\frac{\partial^2 p}{\partial \rho^2}\right)_{T,n_i}\)

no

yes

Partial molar volume \(v_i\)

\(\left(\frac{\partial V}{\partial n_i}\right)_{T,p,n_j}\)

no

no

Chemical potential \(\mu_i\)

\(\left(\frac{\partial A}{\partial n_i}\right)_{T,V,n_j}\)

yes

yes

Partial derivative of chemical potential w.r.t. temperature

\(\left(\frac{\partial\mu_i}{\partial T}\right)_{V,n_i}\)

yes

yes

Partial derivative of chemical potential w.r.t. moles

\(\left(\frac{\partial\mu_i}{\partial n_j}\right)_{V,n_k}\)

no

yes

Logarithmic fugacity coefficient \(\ln\varphi_i\)

\(\beta\mu_i^\mathrm{res}\left(T,p,\lbrace n_i\rbrace\right)\)

no

no

Pure component logarithmic fugacity coefficient \(\ln\varphi_i^\mathrm{pure}\)

\(\lim_{x_i\to 1}\ln\varphi_i\)

no

no

Logarithmic (symmetric) activity coefficient \(\ln\gamma_i\)

\(\ln\left(\frac{\varphi_i}{\varphi_i^\mathrm{pure}}\right)\)

no

no

Henry’s law constant \(H_{i,s}\)

\(\lim_{x_i\to 0}\frac{y_ip}{x_i}=p_s^\mathrm{sat}\frac{\varphi_i^{\infty,\mathrm{L}}}{\varphi_i^{\infty,\mathrm{V}}}\)

no

no

Partial derivative of the logarithmic fugacity coefficient w.r.t. temperature

\(\left(\frac{\partial\ln\varphi_i}{\partial T}\right)_{p,n_i}\)

no

no

Partial derivative of the logarithmic fugacity coefficient w.r.t. pressure

\(\left(\frac{\partial\ln\varphi_i}{\partial p}\right)_{T,n_i}=\frac{v_i^\mathrm{res,p}}{RT}\)

no

no

Partial derivative of the logarithmic fugacity coefficient w.r.t. moles

\(\left(\frac{\partial\ln\varphi_i}{\partial n_j}\right)_{T,p,n_k}\)

no

no

Thermodynamic factor \(\Gamma_{ij}\)

\(\delta_{ij}+x_i\left(\frac{\partial\ln\varphi_i}{\partial x_j}\right)_{T,p,\Sigma}\)

no

no

Molar isochoric heat capacity \(c_v\)

\(\left(\frac{\partial u}{\partial T}\right)_{V,n_i}\)

yes

yes

Partial derivative of the molar isochoric heat capacity w.r.t. temperature

\(\left(\frac{\partial c_V}{\partial T}\right)_{V,n_i}\)

yes

yes

Molar isobaric heat capacity \(c_p\)

\(\left(\frac{\partial h}{\partial T}\right)_{p,n_i}\)

yes

yes

Entropy \(S\)

\(-\left(\frac{\partial A}{\partial T}\right)_{V,n_i}\)

yes

yes

Partial derivative of the entropy w.r.t. temperature

\(\left(\frac{\partial S}{\partial T}\right)_{V,n_i}\)

yes

yes

Second partial derivative of the entropy w.r.t. temperature

\(\left(\frac{\partial^2 S}{\partial T^2}\right)_{V,n_i}\)

yes

yes

Molar entropy \(s\)

\(\frac{S}{n}\)

yes

yes

Specific entropy \(s^{(m)}\)

\(\frac{S}{m}\)

yes

yes

Enthalpy \(H\)

\(A+TS+pV\)

yes

yes

Molar enthalpy \(h\)

\(\frac{H}{n}\)

yes

yes

Specific enthalpy \(h^{(m)}\)

\(\frac{H}{m}\)

yes

yes

Helmholtz energy \(A\)

yes

yes

Molar Helmholtz energy \(a\)

\(\frac{A}{n}\)

yes

yes

Specific Helmholtz energy \(a^{(m)}\)

\(\frac{A}{m}\)

yes

yes

Internal energy \(U\)

\(A+TS\)

yes

yes

Molar internal energy \(u\)

\(\frac{U}{n}\)

yes

yes

Specific internal energy \(u^{(m)}\)

\(\frac{U}{m}\)

yes

yes

Gibbs energy \(G\)

\(A+pV\)

yes

yes

Molar Gibbs energy \(g\)

\(\frac{G}{n}\)

yes

yes

Specific Gibbs energy \(g^{(m)}\)

\(\frac{G}{m}\)

yes

yes

Partial molar entropy \(s_i\)

\(\left(\frac{\partial S}{\partial n_i}\right)_{T,p,n_j}\)

yes

no

Partial molar enthalpy \(h_i\)

\(\left(\frac{\partial H}{\partial n_i}\right)_{T,p,n_j}\)

yes

no

Joule Thomson coefficient \(\mu_\mathrm{JT}\)

\(\left(\frac{\partial T}{\partial p}\right)_{H,n_i}\)

yes

no

Isentropic compressibility \(\kappa_s\)

\(-\frac{1}{V}\left(\frac{\partial V}{\partial p}\right)_{S,n_i}\)

yes

no

Isothermal compressibility \(\kappa_T\)

\(-\frac{1}{V}\left(\frac{\partial V}{\partial p}\right)_{T,n_i}\)

no

no

Isenthalpic compressibility \(\kappa_h\)

\(-\frac{1}{V}\left(\frac{\partial V}{\partial p}\right)_{H,n_i}\)

yes

no

Thermal expansivity \(\alpha_p\)

\(-\frac{1}{V}\left(\frac{\partial V}{\partial T}\right)_{p,n_i}\)

yes

no

Grüneisen parameter \(\phi\)

\(V\left(\frac{\partial p}{\partial U}\right)_{V,n_i}=\frac{v}{c_v}\left(\frac{\partial p}{\partial T}\right)_{v,n_i}=\frac{\rho}{T}\left(\frac{\partial T}{\partial \rho}\right)_{s, n_i}\)

yes

no

(Static) structure factor \(S(0)\)

\(RT\left(\frac{\partial\rho}{\partial p}\right)_{T,n_i}\)

no

no

Speed of sound \(c\)

\(\sqrt{\left(\frac{\partial p}{\partial\rho^{(m)}}\right)_{S,n_i}}\)

yes

no

+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/models/association.html b/theory/models/association.html new file mode 100644 index 000000000..96e0c92ea --- /dev/null +++ b/theory/models/association.html @@ -0,0 +1,836 @@ + + + + + + + + + Association - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Association

+

The Helmholtz contribution due to short range attractive interaction (“association”) in SAFT models can be conveniently expressed as

+
+
+\[\frac{A^\mathrm{assoc}}{k_\mathrm{B}TV}=\sum_\alpha\rho_\alpha\left(\ln X_\alpha-\frac{X_\alpha}{2}+\frac{1}{2}\right)\]
+
+

Here, \(\alpha\) is the index of all distinguishable association sites in the system. The site density \(\rho_\alpha\) is the density of the segment or molecule on which the association site is located times the multiplicity of the site. The fraction of non-bonded association sites \(X_\alpha\) is calculated implicitly from

+
+
+(1)\[\frac{1}{X_\alpha}=1+\sum_\beta\rho_\beta X_\beta\Delta^{\alpha\beta}\]
+
+

where \(\Delta^{\alpha\beta}\) is the association strength between sites \(\alpha\) and \(\beta\). The exact expression for the association strength varies between different SAFT versions. We implement the expressions used in PC-SAFT but a generalization to other models is straightforward.

+

The number of degrees of freedom in the association strength matrix \(\Delta\) is vast and for practical purposes it is useful to reduce the number of non-zero elements in \(\Delta\). In \(\text{FeO}_\text{s}\) we use 3 kinds of association sites: \(A\), \(B\) and \(C\). Association sites of kind \(A\) only associate with \(B\) and vice versa, whereas association sites of kind \(C\) only associate with other sites of kind \(C\). By sorting the sites by their kind, the entire \(\Delta\) matrix can be reduced to two smaller matrices: \(\Delta^{AB}\) and \(\Delta^{CC}\).

+Association strength matrix + +

In practice, the \(AB\) association can be linked to hydrogen bonding sites. The \(CC\) association is less widely used but implemented to ensure that all the association schemes defined in Huang and Radosz 1990 are covered.

+
+

Calculation of the fraction of non-bonded association sites

+

The algorithm to solve the fraction of non-bonded sites for general association schemes follows Michelsen 2006. The problem is rewritten as an optimization problem with gradients

+
+
+\[g_\alpha=\frac{1}{X_\alpha}-1-\sum_\beta\rho_\beta X_\beta\Delta^{\alpha\beta}\]
+
+

The analytic Hessian is

+
+
+\[H_{\alpha\beta}=-\frac{\delta_{\alpha\beta}}{X_\alpha^2}-\rho_\beta\Delta^{\alpha\beta}\]
+
+

with the Kronecker delta \(\delta_{\alpha\beta}\). However, Michelsen 2006 shows that it is beneficial to use

+
+
+\[\hat{H}_{\alpha\beta}=-\frac{\delta_{\alpha\beta}}{X_\alpha}\left(1+\sum_\beta\rho_\beta X_\beta\Delta^{\alpha\beta}\right)-\rho_\beta\Delta^{\alpha\beta}\]
+
+

instead. \(X_\alpha\) can then be solved robustly using a Newton algorithm with a check that ensures that the values of \(X_\alpha\) remain positive. With the split in \(AB\) and \(CC\) association the two kinds different versions could be solved separately from each other. This is currently not implemented, because use cases are rare to nonexistent and the benefit is small.

+

A drastic improvement in performance, however, can be achieved by solving eq. (1) analytically for simple cases. If there is only one \(A\) and one \(B\) site the corresponding fractions of non-bonded association sites can be calculated from

+
+
+\[X_A=\frac{2}{\sqrt{\left(1+\left(\rho_A-\rho_B\right)\Delta^{AB}\right)^2+4\rho_B\Delta^{AB}}+1+\left(\rho_B-\rho_A\right)\Delta^{AB}}\]
+
+
+
+\[X_B=\frac{2}{\sqrt{\left(1+\left(\rho_A-\rho_B\right)\Delta^{AB}\right)^2+4\rho_B\Delta^{AB}}+1+\left(\rho_A-\rho_B\right)\Delta^{AB}}\]
+
+

The specific form of the expressions (with the square root in the denominator) is particularly robust for cases where \(\Delta\) and/or \(\rho\) are small or even 0.

+

Analogously, for a single \(C\) site, the expression becomes

+
+
+\[X_C=\frac{2}{\sqrt{1+4\rho_C\Delta^{CC}}+1}\]
+
+
+
+

PC-SAFT expression for the association strength

+

In \(\text{FeO}_\text{s}\) every association site \(\alpha\) is parametrized with the dimensionless association volume \(\kappa^\alpha\) and the association energy \(\varepsilon^\alpha\). The association strength between sites \(\alpha\) and \(\beta\) is then calculated from

+
+
+\[\Delta^{\alpha\beta}=\left(\frac{1}{1-\zeta_3}+\frac{\frac{3}{2}d_{ij}\zeta_2}{\left(1-\zeta_3\right)^2}+\frac{\frac{1}{2}d_{ij}^2\zeta_2^2}{\left(1-\zeta_3\right)^3}\right)\sqrt{\sigma_i^3\kappa^\alpha\sigma_j^3\kappa^\beta}\left(e^{\frac{\varepsilon^\alpha+\varepsilon^\beta}{2k_\mathrm{B}T}}-1\right)\]
+
+

with

+
+
+\[d_{ij}=\frac{2d_id_j}{d_i+d_j},~~~~d_k=\sigma_k\left(1-0.12e^{\frac{-3\varepsilon_k}{k_\mathrm{B}T}}\right)\]
+
+

and

+
+
+\[\zeta_2=\frac{\pi}{6}\sum_k\rho_km_kd_k^2,~~~~\zeta_3=\frac{\pi}{6}\sum_k\rho_km_kd_k^3\]
+
+

The indices \(i\), \(j\) and \(k\) are used to index molecules or segments rather than sites. \(i\) and \(j\) in particular refer to the molecule or segment that contain site \(\alpha\) or \(\beta\) respectively.

+

On their own the parameters \(\kappa^\alpha\) and \(\varepsilon^\beta\) have no physical meaning. For a pure system of self-associating molecules it is therefore natural to define \(\kappa^A=\kappa^B\equiv\kappa^{A_iB_i}\) and \(\varepsilon^A=\varepsilon^B\equiv\varepsilon^{A_iB_i}\) where \(\kappa^{A_iB_i}\) and \(\varepsilon^{A_iB_i}\) are now parameters describing the molecule rather than individual association sites. However, for systems that are not self-associating, the more generic parametrization is required.

+
+
+

SAFT-VR Mie expression for the association strength

+

We provide an implementation of the association strength as published by Lafitte et al. (2013). +Every association site \(\alpha\) is parametrized with two distances \(r_c^\alpha\) and \(r_d^\alpha\), and the association energy \(\varepsilon^\alpha\). Whereas \(r_c^\alpha\) is a parameter that is adjusted for each substance, \(r_d^\alpha\) is kept constant as \(r_d^\alpha = 0.4 \sigma\). Note that the parameter \(r_c^\alpha\) has to be provided as dimensionless quantity in the input, i.e. divided by the segment’s \(\sigma\) value.

+

The association strength between sites \(\alpha\) and \(\beta\) is then calculated from

+
+
+\[\Delta^{\alpha\beta}=\left(\frac{1}{1-\zeta_3}+\frac{\frac{3}{2}\tilde{d}_{ij}\zeta_2}{\left(1-\zeta_3\right)^2}+\frac{\frac{1}{2}\tilde{d}_{ij}^2\zeta_2^2}{\left(1-\zeta_3\right)^3}\right)K_{ij}^{\alpha\beta}\sigma_{ij}^3\left(e^{\frac{\sqrt{\varepsilon^\alpha\varepsilon^\beta}}{k_\mathrm{B}T}}-1\right)\]
+
+

with

+
+
+\[\tilde{d}_{ij}=\frac{2d_id_j}{d_i+d_j},~~~~\sigma_{ij} = \frac{\sigma_i + \sigma_j}{2}\]
+
+

and

+
+
+\[\zeta_2=\frac{\pi}{6}\sum_k\rho_km_kd_k^2,~~~~\zeta_3=\frac{\pi}{6}\sum_k\rho_km_kd_k^3\]
+
+

where

+
+
+\[d_i = \int_{l}^{\sigma_i} \left[1 - e^{-\beta u_i^\text{Mie}(r)}\right]\mathrm{d}r.\]
+
+

The integral is solved using a Gauss-Legendre quadrature of fifth order where the lower limit, \(l\), is determined using the method of Aasen et al. The dimensionless bonding volume \(K^{\alpha\beta}_{ij}\) (see A43) utilizes arithmetic combining rules for \(r_c^{\alpha\beta}\), \(r_d^{\alpha\beta}\) and \(d_{ij}\) of unlike sites and segments, respectively.

+
+
+

Helmholtz energy functional

+

The Helmholtz energy contribution proposed by Yu and Wu 2002 is used to model association in inhomogeneous systems. It uses the same weighted densities that are used in Fundamental Measure Theory (the White-Bear version). The Helmholtz energy density is then calculated from

+
+
+\[\beta f=\sum_\alpha\frac{n_0^\alpha\xi_i}{m_i}\left(\ln X_\alpha-\frac{X_\alpha}{2}+\frac{1}{2}\right)\]
+
+

with the equations for the fraction of non-bonded association sites adapted to

+
+
+\[\frac{1}{X_\alpha}=1+\sum_\beta\frac{n_0^\beta\xi_j}{m_j}X_\beta\Delta^{\alpha\beta}\]
+
+

The association strength, again using the PC-SAFT parametrization, is

+
+
+\[\Delta^{\alpha\beta}=\left(\frac{1}{1-n_3}+\frac{\frac{1}{4}d_{ij}n_2\xi}{\left(1-n_3\right)^2}+\frac{\frac{1}{72}d_{ij}^2n_2^2\xi}{\left(1-n_3\right)^3}\right)\sqrt{\sigma_i^3\kappa^\alpha\sigma_j^3\kappa^\beta}\left(e^{\frac{\varepsilon^\alpha+\varepsilon^\beta}{2k_\mathrm{B}T}}-1\right)\]
+
+

The quantities \(\xi\) and \(\xi_i\) were introduced to account for the effect of inhomogeneity and are defined as

+
+
+\[\xi=1-\frac{\vec{n}_2\cdot\vec{n}_2}{n_2^2},~~~~\xi_i=1-\frac{\vec{n}_2^i\cdot\vec{n}_2^i}{{n_2^i}^2}\]
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/models/hard_spheres.html b/theory/models/hard_spheres.html new file mode 100644 index 000000000..16bfa8c23 --- /dev/null +++ b/theory/models/hard_spheres.html @@ -0,0 +1,859 @@ + + + + + + + + + Hard spheres - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Hard spheres

+

\(\text{FeO}_\text{s}\) provides an implementation of the Boublík-Mansoori-Carnahan-Starling-Leland (BMCSL) equation of state (Boublík, 1970, Mansoori et al., 1971) for hard-sphere mixtures which is often used as reference contribution in SAFT equations of state. The implementation is generalized to allow the description of non-sperical or fused-sphere reference fluids.

+

The reduced Helmholtz energy density is calculated according to

+
+
+\[\frac{\beta A}{V}=\frac{6}{\pi}\left(\frac{3\zeta_1\zeta_2}{1-\zeta_3}+\frac{\zeta_2^3}{\zeta_3\left(1-\zeta_3\right)^2}+\left(\frac{\zeta_2^3}{\zeta_3^2}-\zeta_0\right)\ln\left(1-\zeta_3\right)\right)\]
+
+

with the packing fractions

+
+
+\[\zeta_k=\frac{\pi}{6}\sum_\alpha C_{k,\alpha}\rho_\alpha d_\alpha^k,~~~~~~~~k=0\ldots 3\]
+
+

The geometry coefficients \(C_{k,\alpha}\) and the segment diameters \(d_\alpha\) depend on the context in which the model is used. The following table shows how the expression can be reused in various models. For details on the fused-sphere chain model, check the repository or the publication.

+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Hard spheres

PC-SAFT

Fused-sphere chains

\(d_\alpha\)

\(\sigma_\alpha\)

\(\sigma_\alpha\left(1-0.12e^{\frac{-3\varepsilon_\alpha}{k_\mathrm{B}T}}\right)\)

\(\sigma_\alpha\)

\(C_{0,\alpha}\)

\(1\)

\(m_\alpha\)

\(1\)

\(C_{1,\alpha}\)

\(1\)

\(m_\alpha\)

\(A_\alpha^*\)

\(C_{1,\alpha}\)

\(1\)

\(m_\alpha\)

\(A_\alpha^*\)

\(C_{1,\alpha}\)

\(1\)

\(m_\alpha\)

\(V_\alpha^*\)

+
+
+

Fundamental measure theory

+

An model for inhomogeneous mixtues of hard spheres is provided by fundamental measure theory (FMT, Rosenfeld, 1989). Different variants have been proposed of which only those that are consistent with the BMCSL equation of state in the homogeneous limit are currently considered in \(\text{FeO}_\text{s}\) (exluding, e.g., the original Rosenfeld and White-Bear II variants).

+

The Helmholtz energy density is calculated according to

+
+
+\[\beta f=-n_0\ln\left(1-n_3\right)+\frac{n_{12}}{1-n_3}+\frac{1}{36\pi}n_2n_{22}f_3(n_3)\]
+
+

The expressions for \(n_{12}\) and \(n_{22}\) depend on the FMT version.

+
+ + + + + + + + + + + + + + + + + + + + + + + + + +

version

\(n_{12}\)

\(n_{22}\)

references

WhiteBear

\(n_1n_2-\vec n_1\cdot\vec n_2\)

\(n_2^2-3\vec n_2\cdot\vec n_2\)

Roth et al., 2002, Yu and Wu, 2002

KierlikRosinberg

\(n_1n_2\)

\(n_2^2\)

Kierlik and Rosinberg, 1990

AntiSymWhiteBear

\(n_1n_2-\vec n_1\cdot\vec n_2\)

\(n_2^2\left(1-\frac{\vec n_2\cdot\vec n_2}{n_2^2}\right)^3\)

Rosenfeld et al., 1997, Kessler et al., 2021

+
+

For small \(n_3\), the value of \(f(n_3)\) numerically diverges. Therefore, it is approximated with a Taylor expansion.

+
+
+\[\begin{split}f_3=\begin{cases}\frac{n_3+\left(1-n_3\right)^2\ln\left(1-n_3\right)}{n_3^2\left(1-n_3\right)^2}&\text{if }n_3>10^{-5}\\ +\frac{3}{2}+\frac{8}{3}n_3+\frac{15}{4}n_3^2+\frac{24}{5}n_3^3+\frac{35}{6}n_3^4&\text{else}\end{cases}\end{split}\]
+
+

The weighted densities \(n_k(\mathbf{r})\) are calculated by convolving the density profiles \(\rho_\alpha(\mathbf{r})\) with weight functions \(\omega_k^\alpha(\mathbf{r})\)

+
+
+\[n_k(\mathbf{r})=\sum_\alpha n_k^\alpha(\mathbf{r})=\sum_\alpha\int\rho_\alpha(\mathbf{r}')\omega_k^\alpha(\mathbf{r}-\mathbf{r}')\mathrm{d}\mathbf{r}'\]
+
+

which differ between the different FMT versions.

+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

WhiteBear/AntiSymWhiteBear

KierlikRosinberg

\(\omega_0^\alpha(\mathbf{r})\)

\(\frac{C_{0,\alpha}}{\pi\sigma_\alpha^2}\,\delta\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)\)

\(C_{0,\alpha}\left(-\frac{1}{8\pi}\,\delta''\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)+\frac{1}{2\pi|\mathbf{r}|}\,\delta'\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)\right)\)

\(\omega_1^\alpha(\mathbf{r})\)

\(\frac{C_{1,\alpha}}{2\pi\sigma_\alpha}\,\delta\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)\)

\(\frac{C_{1,\alpha}}{8\pi}\,\delta'\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)\)

\(\omega_2^\alpha(\mathbf{r})\)

\(C_{2,\alpha}\,\delta\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)\)

\(C_{2,\alpha}\,\delta\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)\)

\(\omega_3^\alpha(\mathbf{r})\)

\(C_{3,\alpha}\,\Theta\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)\)

\(C_{3,\alpha}\,\Theta\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)\)

\(\vec\omega_1^\alpha(\mathbf{r})\)

\(C_{3,\alpha}\frac{\mathbf{r}}{2\pi\sigma_\alpha|\mathbf{r}|}\,\delta\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)\)

-

\(\vec\omega_2^\alpha(\mathbf{r})\)

\(C_{3,\alpha}\frac{\mathbf{r}}{|\mathbf{r}|}\,\delta\!\left(\frac{d_\alpha}{2}-|\mathbf{r}|\right)\)

-

+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/theory/models/index.html b/theory/models/index.html new file mode 100644 index 000000000..13decf611 --- /dev/null +++ b/theory/models/index.html @@ -0,0 +1,712 @@ + + + + + + + + + Models - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Models

+

This section describes the thermodynamic models implemented in \(\text{FeO}_\text{s}\).

+

It is currently still under construction. You can help by contributing.

+ +
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/tutorials/dft/index.html b/tutorials/dft/index.html new file mode 100644 index 000000000..ca9b6c7a2 --- /dev/null +++ b/tutorials/dft/index.html @@ -0,0 +1,706 @@ + + + + + + + + + Density functional theory - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+ +
+ +
+ +
+
+ + + + + + + + + + \ No newline at end of file diff --git a/tutorials/dft/pcsaft_surface_tension.html b/tutorials/dft/pcsaft_surface_tension.html new file mode 100644 index 000000000..beaace812 --- /dev/null +++ b/tutorials/dft/pcsaft_surface_tension.html @@ -0,0 +1,1203 @@ + + + + + + + + + Surface tension using PC-SAFT Helmholtz energy functionals - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Surface tension using PC-SAFT Helmholtz energy functionals

+
+

Goal of this notebook

+
    +
  • Learn how to compute the surface tension for a planar interface using the PC-SAFT functionals.

  • +
  • Learn about the SurfaceTensionDiagram that allows convenient calculation of multiple surface tensions.

  • +
+
+
[1]:
+
+
+
import feos
+import si_units as si
+import matplotlib.pyplot as plt
+import pandas as pd
+import numpy as np
+import seaborn as sns
+
+sns.set_context("talk")
+sns.set_palette("Dark2")
+sns.set_style("ticks")
+
+colors = sns.color_palette("Dark2", 2)
+
+
+
+
+

Water parameters for PC-SAFT

+

In this example we will calculate surface tensions for water using the 2B association scheme. The parameters that we use, were adjusted to vapor pressures, liquid densities and surface tensions. Parameters are available here.

+
+
[2]:
+
+
+
# Equation of state object.
+parameters = feos.Parameters.from_json(
+    ['water_2B'],
+    '../../../parameters/pcsaft/rehner2020.json'
+)
+pcsaft = feos.HelmholtzEnergyFunctional.pcsaft(parameters)
+
+
+
+

Let’s first compute the critical point. We will make use of the critical temperature later.

+
+
[3]:
+
+
+
cp = feos.State.critical_point(pcsaft)
+cp
+
+
+
+
+
[3]:
+
+
+
+
+ + + + + + + + + + + +

temperature

density

677.34347 K

18.70466 kmol/m³

+
+
+
+

As you can see, the model overestimates the critical temperature.

+
+
+
+

Surface tension for single VLE

+

To compute the surface tension, three steps are needed.

+
    +
  1. We need to compute the vapor liquid equilibrium (VLE) either at given temperature or pressure.

  2. +
  3. Then, we need to initialize a density profile. We will use a hyperbolic tangent with the VLE bulk densities as limits.

  4. +
  5. We solve the DFT equations to yield the equilibrium density profile and calculate the surface tension.

  6. +
+

For the VLE, we use the PhaseEquilibrium.pure method. Here for \(T = 300\) Kelvin.

+
+
[4]:
+
+
+
vle = feos.PhaseEquilibrium.pure(pcsaft, 300*si.KELVIN)
+vle
+
+
+
+
+
[4]:
+
+
+
+
+ + + + + + + + + + + + + + + + + +

temperature

density

phase 1

300.00000 K

1.51670 mol/m³

phase 2

300.00000 K

55.38975 kmol/m³

+
+
+
+

Next, we initialize the density profile. For the surface tension, a 1D DFT calculation in Cartesian coordinates is conducted. Thus, the density profile will be an 1D array (we have a single substance).

+

To solve the DFT equations, the density has to be discretized which can be controlled by n_grid, the number of grid points. The surface tension is not very sensitive w.r.t the number of grid points but you should make sure to pick a large enough value. When in doubt, run multiple calculations varying the number.

+

We also have to provide a width of the calculation domain, l_grid. The domain should be large enough that the bulk densities can be observed in the limits. You can check the resulting density profile to make sure that’s the case.

+

The critical temperature is used to come up with a good initial estimate for the density profile.

+
+
[5]:
+
+
+
%%time
+interface = feos.PlanarInterface.from_tanh(
+    vle=vle,
+    n_grid=512,
+    l_grid=100*si.ANGSTROM,
+    critical_temperature=cp.temperature
+)
+initial_density = interface.density / (si.KILO * si.MOL / si.METER**3)
+
+
+
+
+
+
+
+
+CPU times: user 367 μs, sys: 10 μs, total: 377 μs
+Wall time: 363 μs
+
+
+

The above method does not yet run a calculation. If we try to extract the surface tension, it will return None. Let’s store the initial density profile for a later comparison.

+
+
[6]:
+
+
+
interface.surface_tension == None
+
+
+
+
+
[6]:
+
+
+
+
+True
+
+
+

To calculate the equilibrium density profile, we have to call the solve() method:

+
+
[7]:
+
+
+
%%time
+surface_tension = interface.solve().surface_tension
+
+
+
+
+
+
+
+
+CPU times: user 11.8 ms, sys: 1.02 ms, total: 12.8 ms
+Wall time: 12.7 ms
+
+
+

solve() calculates the equilibrium density profile and returns the PlanarInterface object so that we can readily extract the surface_tension.

+

The PlanarInterface.density contains the equilibrated density profile. Let’s compare it to our initial density and zoom into the interesting region between 40 and 60 Angstrom.

+
+
[8]:
+
+
+
plt.figure(figsize=(10, 6))
+plt.plot(interface.z / si.ANGSTROM, initial_density[0], linestyle="dashed", label="initial density")
+plt.plot(interface.z / si.ANGSTROM, (interface.density / (si.KILO * si.MOL / si.METER**3))[0], label="equilibrium density")
+
+plt.xlim(40, 60)
+plt.ylim(-5, 60)
+plt.ylabel(r"$\rho$ / kmol m$^{-3}$")
+plt.xlabel(r"$z$ / A")
+sns.despine(offset=10)
+plt.legend(frameon=False);
+
+
+
+
+
+
+
+../../_images/tutorials_dft_pcsaft_surface_tension_17_0.png +
+
+
+
+

Comparison to NIST data using SurfaceTensionDiagram

+

We can use the above steps to calculate multiple VLE’s and then - for each VLE - calculate the surface tension. We provide a utility object, the SurfaceTensionDiagram, that you can use to do exactly this task. Let’s load some experimental (correlation) data obtained from the NIST Webbook and see how the water model compares to that.

+
+
[9]:
+
+
+
literature = pd.read_csv("../../../examples/data/water_vle_nist.csv", delimiter="\t")
+literature.head()
+
+
+
+
+
[9]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
Temperature (K)Pressure (MPa)Density (l, mol/l)Volume (l, l/mol)Internal Energy (l, kJ/mol)Enthalpy (l, kJ/mol)Entropy (l, J/mol*K)Cv (l, J/mol*K)Cp (l, J/mol*K)Sound Spd. (l, m/s)...Volume (v, l/mol)Internal Energy (v, kJ/mol)Enthalpy (v, kJ/mol)Entropy (v, J/mol*K)Cv (v, J/mol*K)Cp (v, J/mol*K)Sound Spd. (v, m/s)Joule-Thomson (v, K/MPa)Viscosity (v, uPa*s)Therm. Cond. (v, W/m*K)
0275.00.00069855.5020.0180170.139780.139790.510075.90375.9151411.4...3271.5042.83045.115164.0625.58033.980410.33558.898.99860.016879
1285.00.00138955.4790.0180250.896780.896813.213975.39775.5331454.3...1704.3043.07845.445159.5225.73634.170417.48408.819.29410.017535
2295.00.00262155.3840.0180561.651101.651205.815474.76575.3611487.7...934.3643.32445.773155.3825.89834.374424.46304.019.60180.018214
3305.00.00471955.2330.0181052.404402.404408.326474.03875.3001513.1...536.2043.56846.099151.5926.06934.596431.28231.329.91960.018918
4315.00.00814555.0340.0181713.157303.1575010.756073.23575.3011531.7...320.5843.81146.422148.1026.25234.843437.93180.6610.24600.019646
+

5 rows × 25 columns

+
+
+

For the SurfaceTensionDiagram, we need to provide the VLE’s. We compute those using the PhaseDiagram object (here for 50 temperatures between 275 Kelvin and the critical temperature) from which we get a list of PhaseEquilibriums via the states filed. The SurfaceTensionDiagram is nice, because we can reuse equilibrium density profiles from prior iterations as input for the next iteration. It’s therefore typically faster and more stable than an “naive” implementation by hand.

+

The SurfaceTensionDiagram takes the same arguments n_grind, l_grid and critical_temperature as discussed above.

+
+
[10]:
+
+
+
%%time
+vles = feos.PhaseDiagram.pure(
+    pcsaft,
+    275*si.KELVIN,
+    50,
+    critical_temperature=cp.temperature
+)
+sfts = feos.SurfaceTensionDiagram(
+    vles.states,
+    n_grid=512,
+    l_grid=100*si.ANGSTROM,
+    critical_temperature=cp.temperature
+)
+
+
+
+
+
+
+
+
+CPU times: user 523 ms, sys: 3.87 ms, total: 526 ms
+Wall time: 525 ms
+
+
+

We now can extract all surface tensions via surface_tension as well as the liquid and vapor states via the liquid and vapor getters, respectively. Let’s store the results in a pandas DataFrame to make plotting easier.

+
+
[11]:
+
+
+
dft_data = pd.DataFrame(
+    np.array([
+        sfts.liquid.temperature / si.KELVIN,
+        sfts.surface_tension / si.NEWTON * si.METER
+    ]).T,
+    columns=["Temperature (K)", "Surf. Tension (l, N/m)"]
+)
+
+
+
+
+
[12]:
+
+
+
plt.figure(figsize=(10, 6))
+plt.title("Surface tension of water")
+sns.lineplot(data=literature, x="Temperature (K)", y="Surf. Tension (l, N/m)", label="NIST")
+sns.lineplot(data=dft_data, x="Temperature (K)", y="Surf. Tension (l, N/m)", label="PC-SAFT (2B)")
+sns.scatterplot(x=[cp.temperature / si.KELVIN], y=[0.0], clip_on=False, color=colors[1], label="PC-SAFT (2B), critical point")
+plt.ylabel(r"$\gamma$ / Nm$^{-1}$")
+plt.xlabel(r"$T$ / K")
+
+plt.xlim(250, 700)
+plt.ylim(0.0, 0.08)
+sns.despine(offset=10)
+plt.legend(frameon=False);
+
+
+
+
+
+
+
+../../_images/tutorials_dft_pcsaft_surface_tension_24_0.png +
+
+
+
+

Concluding remkars

+

Hopefully you found this example helpful. If you have comments, critique or feedback, please let us know and consider opening an issue on github.

+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/examples/pcsaft_surface_tension.ipynb b/tutorials/dft/pcsaft_surface_tension.ipynb similarity index 99% rename from examples/pcsaft_surface_tension.ipynb rename to tutorials/dft/pcsaft_surface_tension.ipynb index cadc0901b..4fafc6075 100644 --- a/examples/pcsaft_surface_tension.ipynb +++ b/tutorials/dft/pcsaft_surface_tension.ipynb @@ -54,7 +54,7 @@ "# Equation of state object.\n", "parameters = feos.Parameters.from_json(\n", " ['water_2B'], \n", - " '../parameters/pcsaft/rehner2020.json'\n", + " '../../../parameters/pcsaft/rehner2020.json'\n", ")\n", "pcsaft = feos.HelmholtzEnergyFunctional.pcsaft(parameters)" ] @@ -177,8 +177,8 @@ "name": "stdout", "output_type": "stream", "text": [ - "CPU times: user 379 μs, sys: 10 μs, total: 389 μs\n", - "Wall time: 372 μs\n" + "CPU times: user 367 μs, sys: 10 μs, total: 377 μs\n", + "Wall time: 363 μs\n" ] } ], @@ -240,8 +240,8 @@ "name": "stdout", "output_type": "stream", "text": [ - "CPU times: user 9.24 ms, sys: 3.81 ms, total: 13 ms\n", - "Wall time: 12.9 ms\n" + "CPU times: user 11.8 ms, sys: 1.02 ms, total: 12.8 ms\n", + "Wall time: 12.7 ms\n" ] } ], @@ -535,7 +535,7 @@ } ], "source": [ - "literature = pd.read_csv(\"data/water_vle_nist.csv\", delimiter=\"\\t\")\n", + "literature = pd.read_csv(\"../../../examples/data/water_vle_nist.csv\", delimiter=\"\\t\")\n", "literature.head()" ] }, @@ -559,7 +559,7 @@ "name": "stdout", "output_type": "stream", "text": [ - "CPU times: user 514 ms, sys: 11.9 ms, total: 526 ms\n", + "CPU times: user 523 ms, sys: 3.87 ms, total: 526 ms\n", "Wall time: 525 ms\n" ] } diff --git a/tutorials/eos/core_user_defined_eos.html b/tutorials/eos/core_user_defined_eos.html new file mode 100644 index 000000000..38b47b0e7 --- /dev/null +++ b/tutorials/eos/core_user_defined_eos.html @@ -0,0 +1,1814 @@ + + + + + + + + + Implementing an equation of state in python - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Implementing an equation of state in python

+
+

In FeOs, you can implement your equation of state in python, register it to the Rust backend, and compute properties and phase equilbria as if you implemented it in Rust. In this tutorial, we will implement the Peng-Robinson equation of state.

+
+
+

Table of contents

+ +
+
[1]:
+
+
+
import feos
+import si_units as si
+import numpy as np
+
+optional = True
+
+import warnings
+warnings.filterwarnings('ignore')
+
+if optional:
+    import matplotlib.pyplot as plt
+    import pandas as pd
+    import seaborn as sns
+
+    sns.set_style("ticks")
+    sns.set_palette("Dark2")
+    sns.set_context("talk")
+
+
+
+
+
+

Implementation

+

↑ Back to top

+

To implement an equation of state in python, we have to define a class which has to have the following methods:

+
class MyEquationOfState:
+    def helmholtz_energy(self, state: StateHD) -> D
+
+    def components(self) -> int
+
+    def subset(self, indices: List[int]) -> Self
+
+    def molar_weight(self) -> SIArray1
+
+    def max_density(self, molefracs: np.ndarray[float]) -> float
+
+
+
    +
  • components(self) -> int: Returns the number of components (usually inferred from the shape of the input parameters).

  • +
  • molar_weight(self) -> SIArray1: Returns an SIArray1 with size equal to the number of components containing the molar mass of each component.

  • +
  • max_density(self, moles: np.ndarray[float]) -> float: Returns the maximum allowed number density in units of molecules/Angstrom³.

  • +
  • subset(self, indices: List[int]) -> self: Returns a new equation of state with parameters defined in indices.

  • +
  • helmholtz_energy(self, state: StateHD) -> Dual: Returns the helmholtz energy as (hyper)-dual number given a StateHD.

  • +
+
+
[2]:
+
+
+
SQRT2 = np.sqrt(2)
+
+class PyPengRobinson:
+    def __init__(
+        self, critical_temperature, critical_pressure,
+        acentric_factor, molar_weight, delta_ij=None
+    ):
+        """Peng-Robinson Equation of State
+
+        Parameters
+        ----------
+        critical_temperature : SIArray1
+            critical temperature of each component.
+        critical_pressure : SIArray1
+            critical pressure of each component.
+        acentric_factor : np.array[float]
+            acentric factor of each component (dimensionless).
+        molar_weight: SIArray1
+            molar weight of each component.
+        delta_ij : np.array[[float]], optional
+            binary parameters. Shape=[n, n], n = number of components.
+            defaults to zero for all binary interactions.
+
+        Raises
+        ------
+        ValueError: if the input values have incompatible sizes.
+        """
+        self.n = len(critical_temperature)
+        if len(set((
+            len(critical_temperature),
+            len(critical_pressure),
+            len(acentric_factor)
+        ))) != 1:
+            raise ValueError("Input parameters must all have the same lenght.")
+
+        self.tc = critical_temperature / si.KELVIN
+        self.pc = critical_pressure / si.PASCAL
+        self.omega = acentric_factor
+        self.mw = molar_weight / si.GRAM * si.MOL
+
+        self.a_r = (0.45724 * critical_temperature**2 * si.RGAS
+                    / critical_pressure / si.ANGSTROM**3 / si.NAV / si.KELVIN)
+        self.b = (0.07780 * critical_temperature * si.RGAS
+                  / critical_pressure / si.ANGSTROM**3 / si.NAV)
+        self.kappa = (0.37464
+                      + (1.54226 - 0.26992 * acentric_factor) * acentric_factor)
+        self.delta_ij = (np.zeros((self.n, self.n))
+                         if delta_ij is None else delta_ij)
+
+    def helmholtz_energy(self, state):
+        """Return helmholtz energy.
+
+        Parameters
+        ----------
+        state : StateHD
+            The thermodynamic state.
+
+        Returns
+        -------
+        helmholtz_energy: float | any dual number
+            The return type depends on the input types.
+        """
+        x = state.molefracs
+        tr = 1.0 / self.tc * state.temperature
+        ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r
+        ak_mix = 0.0
+        if self.n > 1:
+            for i in range(self.n):
+                for j in range(self.n):
+                    ak_mix += (np.sqrt(ak[i] * ak[j])
+                               * (x[i] * x[j] * (1.0 - self.delta_ij[i, j])))
+        else:
+            ak_mix = ak[0]
+        b = np.sum(x * self.b)
+        rho = np.sum(state.partial_density)
+        a = rho * (-np.log(1.0 - b * rho)
+                 - ak_mix / (b * SQRT2 * 2.0 * state.temperature)
+                 * np.log((1.0 + (1.0 + SQRT2) * b * rho) / (1.0 + (1.0 - SQRT2) * b * rho)))
+        return a
+
+    def components(self) -> int:
+        """Number of components."""
+        return self.n
+
+    def subset(self, i: list[int]):
+        """Return new equation of state containing a subset of all components."""
+        if self.n > 1:
+            tc = self.tc[i]
+            pc = self.pc[i]
+            mw = self.mw[i]
+            omega = self.omega[i]
+            return PyPengRobinson(
+                si.array(tc * si.KELVIN),
+                si.array(pc * si.PASCAL),
+                omega,
+                si.array(mw * si.GRAM / si.MOL)
+            )
+        else:
+            return self
+
+    def molar_weight(self) -> si.SIObject:
+        return si.array(self.mw * si.GRAM / si.MOL)
+
+    def max_density(self, molefracs: list[float]) -> float:
+        b = np.sum(molefracs * self.b)
+        return 0.9 / b
+
+
+
+
+
+

Computing properties

+

↑ Back to top

+

Let’s compute some properties. First, we have to instanciate the class and register it to Rust. This is done using the EquationOfState.python method.

+
+
[3]:
+
+
+
tc = si.array(369.96 * si.KELVIN)
+pc = si.array(4250000.0 * si.PASCAL)
+omega = np.array([0.153])
+molar_weight = si.array(44.0962 * si.GRAM / si.MOL)
+
+# create an instance of our python class and hand it over to rust
+pr = PyPengRobinson(tc, pc, omega, molar_weight)
+eos = feos.EquationOfState.python_residual(pr)
+
+
+
+
+

Thermodynamic state: the State object

+

Before we can compute a property, we create a State object. This can be done in several ways depending on what control variables we need. If no total amount of substance is defined, it is set to \(n = \frac{1}{N_{AV}}\). For possible input combinations, you can inspect the signature of the constructor using State?.

+
+
[4]:
+
+
+
feos.State?
+
+
+
+
+
+
+
+
+Init signature:
+feos.State(
+    eos,
+    temperature=None,
+    volume=None,
+    density=None,
+    partial_density=None,
+    total_moles=None,
+    moles=None,
+    molefracs=None,
+    pressure=None,
+    molar_enthalpy=None,
+    molar_entropy=None,
+    molar_internal_energy=None,
+    density_initialization=None,
+    initial_temperature=None,
+)
+Docstring:
+A thermodynamic state at given conditions.
+
+Parameters
+----------
+eos : Eos
+    The equation of state to use.
+temperature : SINumber, optional
+    Temperature.
+volume : SINumber, optional
+    Volume.
+density : SINumber, optional
+    Molar density.
+partial_density : SIArray1, optional
+    Partial molar densities.
+total_moles : SINumber, optional
+    Total amount of substance (of a mixture).
+moles : SIArray1, optional
+    Amount of substance for each component.
+molefracs : numpy.ndarray[float]
+    Molar fraction of each component.
+pressure : SINumber, optional
+    Pressure.
+molar_enthalpy : SINumber, optional
+    Molar enthalpy.
+molar_entropy : SINumber, optional
+    Molar entropy.
+molar_internal_energy: SINumber, optional
+    Molar internal energy
+density_initialization : {'vapor', 'liquid', SINumber, None}, optional
+    Method used to initialize density for density iteration.
+    'vapor' and 'liquid' are inferred from the maximum density of the equation of state.
+    If no density or keyword is provided, the vapor and liquid phase is tested and, if
+    different, the result with the lower free energy is returned.
+initial_temperature : SINumber, optional
+    Initial temperature for temperature iteration. Can improve convergence
+    when the state is specified with pressure and molar entropy or enthalpy.
+
+Returns
+-------
+State : state at given conditions
+
+Raises
+------
+Error
+    When the state cannot be created using the combination of input.
+Type:           type
+Subclasses:
+
+
+

If we use input variables other than \(\mathbf{N}, V, T\) (the natural variables of the Helmholtz energy), creating a state is an iterative procedure. For example, we can create a state for a give \(T, p\), which will result in a iteration of the volume (density).

+
+
[5]:
+
+
+
# If no amount of substance is given, it is set to 1/NAV.
+s = feos.State(eos, temperature=300*si.KELVIN, pressure=1*si.BAR)
+s.total_moles
+
+
+
+
+
[5]:
+
+
+
+
+
+$1.6605\times10^{-24}\,\mathrm{ mol}$
+
+
+
+
[6]:
+
+
+
s_pt = feos.State(
+    eos,
+    temperature=300*si.KELVIN,
+    pressure=1*si.BAR,
+    total_moles=1*si.MOL
+)
+s_pt.total_moles
+
+
+
+
+
[6]:
+
+
+
+
+
+$1\,\mathrm{ mol}$
+
+
+
+
+
+

Critical point

+

↑ Back to top

+

To generate a state at critical conditions, we can use the critical_point constructor.

+
+
[7]:
+
+
+
s_cp = feos.State.critical_point(eos)
+print("Critical point")
+print("temperature: ", s_cp.temperature)
+print("density    : ", s_cp.mass_density())
+print("pressure   : ", s_cp.pressure())
+
+
+
+
+
+
+
+
+Critical point
+temperature:  369.9506174234607 K
+density    :  198.1862458057178 kg/m³
+pressure   :  4.249677749116937 MPa
+
+
+
+
+

Phase equilibria and phase diagrams

+

↑ Back to top

+

We can also create an object, PhaseEquilibrium, that contains states that are in equilibrium.

+
+
[8]:
+
+
+
vle = feos.PhaseEquilibrium.pure(eos, 300.0*si.KELVIN)
+vle
+
+
+
+
+
[8]:
+
+
+
+
+ + + + + + + + + + + + + + + + + +

temperature

density

phase 1

300.00000 K

488.99014 mol/m³

phase 2

300.00000 K

11.53399 kmol/m³

+
+
+
+

Each phase is a State object. We can simply access these states and compute properties, just like before.

+
+
[9]:
+
+
+
vle.liquid # the high density phase `State`
+
+
+
+
+
[9]:
+
+
+
+
+ + + + + + + + + + + +

temperature

density

300.00000 K

11.53399 kmol/m³

+
+
+
+
+
[10]:
+
+
+
vle.vapor # the low density phase `State`
+
+
+
+
+
[10]:
+
+
+
+
+ + + + + + + + + + + +

temperature

density

300.00000 K

488.99014 mol/m³

+
+
+
+
+
[11]:
+
+
+
# we can now easily compute any property:
+print("Heat of vaporization: ", vle.vapor.molar_enthalpy(feos.Contributions.Residual) - vle.liquid.molar_enthalpy(feos.Contributions.Residual))
+print("for T = {}".format(vle.liquid.temperature))
+print("and p = {:.2f} bar".format(vle.liquid.pressure() / si.BAR))
+
+
+
+
+
+
+
+
+Heat of vaporization:  14.782343503305126 kJ/mol
+for T = 300 K
+and p = 9.95 bar
+
+
+

We can also easily compute vapor pressures and boiling temperatures:

+
+
[12]:
+
+
+
# This also works for mixtures, in which case the pure component properties are computed.
+# Hence, the result is a list - that is why we use an index [0] here.
+print("vapor pressure      (T = 300 K):", feos.PhaseEquilibrium.vapor_pressure(eos, 300*si.KELVIN)[0])
+print("boiling temperature (p = 3 bar):", feos.PhaseEquilibrium.boiling_temperature(eos, 2*si.BAR)[0])
+
+
+
+
+
+
+
+
+vapor pressure      (T = 300 K): 994.7761635610095 kPa
+boiling temperature (p = 3 bar): 247.84035574956758 K
+
+
+
+

Phase Diagram

+

We could repeatedly compute PhaseEquilibrium states for different temperatures / pressures to generate a phase diagram. Because this a common task, there is a object for that as well.

+

The PhaseDiagram object creates multiple PhaseEquilibrium objects (npoints of those) between a given lower temperature and the critical point.

+
+
[13]:
+
+
+
dia = feos.PhaseDiagram.pure(eos, 230.0 * si.KELVIN, 500)
+
+
+
+

We can access each PhaseEquilbrium and then conveniently comput any property we like:

+
+
[14]:
+
+
+
enthalpy_of_vaporization = [
+    (vle.vapor.molar_enthalpy(feos.Contributions.Residual) - vle.liquid.molar_enthalpy(feos.Contributions.Residual)) / (si.KILO * si.JOULE) * si.MOL
+    for vle in dia.states
+]
+
+
+
+
+
[15]:
+
+
+
fig, ax = plt.subplots(figsize=(7, 4))
+sns.lineplot(x=dia.vapor.temperature / si.KELVIN, y=enthalpy_of_vaporization, ax=ax);
+ax.set_ylabel(r"$\Delta^{LV}h$ / kJ / mol")
+ax.set_xlabel(r"$T$ / K");
+
+
+
+
+
+
+
+../../_images/tutorials_eos_core_user_defined_eos_26_0.png +
+
+

A more convenient way is to create a dictionary. The dictionary can be used to build pandas DataFrame objects. This is a bit less flexible, because the units of the properties are rigid. You can inspect the method signature to check what units are used.

+
+
[16]:
+
+
+
dia.to_dict?
+
+
+
+
+
+
+
+
+Signature: dia.to_dict(contributions)
+Docstring:
+Returns the phase diagram as dictionary.
+
+Parameters
+----------
+contributions : Contributions, optional
+    The contributions to consider when calculating properties.
+    Defaults to Contributions.Total.
+
+Returns
+-------
+Dict[str, List[float]]
+    Keys: property names. Values: property for each state.
+
+Notes
+-----
+- temperature : K
+- pressure : Pa
+- densities : mol / m³
+- mass densities : kg / m³
+- molar enthalpies : kJ / mol
+- molar entropies : kJ / mol / K
+- specific enthalpies : kJ / kg
+- specific entropies : kJ / kg / K
+- xi: liquid molefraction of component i
+- yi: vapor molefraction of component i
+- component index `i` matches to order of components in parameters.
+Type:      builtin_function_or_method
+
+
+
+
[17]:
+
+
+
data_dia = pd.DataFrame(dia.to_dict(feos.Contributions.Residual))
+data_dia.head()
+
+
+
+
+
[17]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
temperaturepressuredensity liquiddensity vapormolar enthalpy liquidmolar enthalpy vapormolar entropy liquidmolar entropy vapormass density liquidmass density vaporspecific enthalpy liquidspecific enthalpy vaporspecific entropy liquidspecific entropy vapor
0230.00000096625.27817414125.98894752.208491-18.921555-0.157448-0.035166-0.000148622.9024342.302196-429.097170-3.570554-0.797483-0.003363
1230.28046297830.13395614118.00685252.811929-18.911909-0.159193-0.035119-0.000150622.5504542.328805-428.878435-3.610123-0.796418-0.003399
2230.56092499046.72940014110.01022053.420767-18.902255-0.160952-0.035072-0.000152622.1978332.355653-428.659501-3.650021-0.795354-0.003436
3230.841386100275.14312014101.99901154.035036-18.892592-0.162726-0.035025-0.000153621.8445692.382740-428.440366-3.690251-0.794290-0.003473
4231.121849101515.45396414093.97318254.654773-18.882920-0.164515-0.034978-0.000155621.4906602.410068-428.221030-3.730814-0.793228-0.003510
+
+
+

Once we have a dataframe, we can store our results or create a nicely looking plot:

+
+
[18]:
+
+
+
def phase_plot(data, x, y):
+    fig, ax = plt.subplots(figsize=(12, 6))
+    if x != "pressure" and x != "temperature":
+        xl = f"{x} liquid"
+        xv = f"{x} vapor"
+    else:
+        xl = x
+        xv = x
+    if y != "pressure" and y != "temperature":
+        yl = f"{y} liquid"
+        yv = f"{y} vapor"
+    else:
+        yv = y
+        yl = y
+    sns.lineplot(data=data, x=xv, y=yv, ax=ax, label="vapor")
+    sns.lineplot(data=data, x=xl, y=yl, ax=ax, label="liquid")
+    ax.set_xlabel(x)
+    ax.set_ylabel(y)
+    ax.legend(frameon=False)
+    sns.despine();
+
+
+
+
+
[19]:
+
+
+
phase_plot(data_dia, "density", "temperature")
+
+
+
+
+
+
+
+../../_images/tutorials_eos_core_user_defined_eos_32_0.png +
+
+
+
[20]:
+
+
+
phase_plot(data_dia, "molar entropy", "temperature")
+
+
+
+
+
+
+
+../../_images/tutorials_eos_core_user_defined_eos_33_0.png +
+
+
+
+
+

Mixtures

+

↑ Back to top

+

Fox mixtures, we have to add information about the composition, either as molar fraction, amount of substance per component, or as partial densities.

+
+
[21]:
+
+
+
# propane, butane mixture
+tc = np.array([369.96, 425.2]) * si.KELVIN
+pc = np.array([4250000.0, 3800000.0]) * si.PASCAL
+omega = np.array([0.153, 0.199])
+molar_weight = np.array([44.0962, 58.123]) * si.GRAM / si.MOL
+
+pr = PyPengRobinson(tc, pc, omega, molar_weight)
+eos = feos.EquationOfState.python_residual(pr)
+
+
+
+
+
[22]:
+
+
+
s = feos.State(
+    eos,
+    temperature=300*si.KELVIN,
+    pressure=1*si.BAR,
+    molefracs=np.array([0.5, 0.5]),
+    total_moles=si.MOL
+)
+s
+
+
+
+
+
[22]:
+
+
+
+
+ + + + + + + + + + + + + +

temperature

density

molefracs

300.00000 K

40.96869 mol/m³

[0.50000, 0.50000]

+
+
+
+

As before, we can compute properties by calling methods on the State object. Some return vectors or matrices - for example the chemical potential and its derivative w.r.t amount of substance:

+
+
[23]:
+
+
+
s.chemical_potential(feos.Contributions.Residual)
+
+
+
+
+
[23]:
+
+
+
+
+array([ -93.60749754, -120.5269973 ]) J/mol
+
+
+
+
[24]:
+
+
+
s.dmu_dni() / (si.KILO * si.JOULE / si.MOL**2)
+
+
+
+
+
[24]:
+
+
+
+
+array([[ 4.90721995, -0.10487987],
+       [-0.10487987,  4.85361765]])
+
+
+

Phase equilibria can be built from different constructors. E.g. at critical conditions given composition:

+
+
[25]:
+
+
+
s_cp = feos.State.critical_point(eos, molefracs=np.array([0.5, 0.5]))
+s_cp
+
+
+
+
+
[25]:
+
+
+
+
+ + + + + + + + + + + + + +

temperature

density

molefracs

401.65562 K

3.99954 kmol/m³

[0.50000, 0.50000]

+
+
+
+

Or at given temperature (or pressure) and composition for bubble and dew points.

+
+
[26]:
+
+
+
vle = feos.PhaseEquilibrium.bubble_point(
+    eos,
+    350*si.KELVIN,
+    liquid_molefracs=np.array([0.5, 0.5])
+)
+vle
+
+
+
+
+
[26]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + +

temperature

density

molefracs

phase 1

350.00000 K

879.50373 mol/m³

[0.67631, 0.32369]

phase 2

350.00000 K

8.96383 kmol/m³

[0.50000, 0.50000]

+
+
+
+

Similar to pure substance phase diagrams, there is a constructor for binary systems.

+
+
[27]:
+
+
+
vle = feos.PhaseDiagram.binary_vle(eos, 350*si.KELVIN, npoints=50)
+
+
+
+
+
[28]:
+
+
+
fig, ax = plt.subplots(1, 2, figsize=(18, 6))
+# fig.title("T = 350 K, Propane (1), Butane (2)")
+sns.lineplot(x=vle.liquid.molefracs[:,0], y=vle.liquid.pressure / si.BAR, ax=ax[0])
+sns.lineplot(x=vle.vapor.molefracs[:,0], y=vle.vapor.pressure / si.BAR, ax=ax[0])
+ax[0].set_xlabel(r"$x_1$, $y_1$")
+ax[0].set_ylabel(r"$p$ / bar")
+ax[0].set_xlim(0, 1)
+ax[0].set_ylim(5, 35)
+# ax[0].legend(frameon=False);
+
+sns.lineplot(x=vle.liquid.molefracs[:,0], y=vle.vapor.molefracs[:,0], ax=ax[1])
+sns.lineplot(x=np.linspace(0, 1, 10), y=np.linspace(0, 1, 10), color="black", alpha=0.3, ax=ax[1])
+ax[1].set_xlabel(r"$x_1$")
+ax[1].set_ylabel(r"$y_1$")
+ax[1].set_xlim(0, 1)
+ax[1].set_ylim(0, 1);
+
+
+
+
+
+
+
+../../_images/tutorials_eos_core_user_defined_eos_46_0.png +
+
+
+
+

Comparison to Rust implementation

+

↑ Back to top

+

Implementing an equation of state in Python is nice for quick prototyping and development but when it comes to performance, implementing the equation of state in Rust is the way to go. For each non-cached call to the Helmholtz energy, we have to transition between Rust and Python with our Python implementation which generates quite some overhead.

+

Here are some comparisons between the Rust and our Python implemenation:

+
+
[29]:
+
+
+
# rust
+eos_rust = feos.EquationOfState.peng_robinson(feos.Parameters.from_json(["propane"], "../../../examples/data/peng-robinson.json"))
+
+# python
+tc = si.array(369.96 * si.KELVIN)
+pc = si.array(4250000.0 * si.PASCAL)
+omega = np.array([0.153])
+molar_weight = si.array(44.0962 * si.GRAM / si.MOL)
+eos_python = feos.EquationOfState.python_residual(PyPengRobinson(tc, pc, omega, molar_weight))
+
+
+
+
+
[30]:
+
+
+
# let's first test if both actually yield the same results ;)
+assert abs(feos.State.critical_point(eos_python).pressure() / si.BAR - feos.State.critical_point(eos_rust).pressure() / si.BAR) < 1e-12
+assert abs(feos.State.critical_point(eos_python).temperature / si.KELVIN - feos.State.critical_point(eos_rust).temperature / si.KELVIN) < 1e-12
+
+
+
+
+
[31]:
+
+
+
import timeit
+
+time_python = timeit.timeit(lambda: feos.State.critical_point(eos_python), number=2_500)
+time_rust = timeit.timeit(lambda: feos.State.critical_point(eos_rust), number=2_500)
+
+
+
+
+
[32]:
+
+
+
rel_dev = (time_rust - time_python) / time_rust
+print(f"Critical point for pure substance")
+print(f"Python implementation is {'slower' if rel_dev < 0 else 'faster'} by a factor of {abs(time_python / time_rust):.0f}.")
+
+
+
+
+
+
+
+
+Critical point for pure substance
+Python implementation is slower by a factor of 24.
+
+
+
+
[33]:
+
+
+
time_python = timeit.timeit(lambda: feos.PhaseDiagram.pure(eos_python, 300*si.KELVIN, 100), number=100)
+time_rust = timeit.timeit(lambda: feos.PhaseDiagram.pure(eos_rust, 300*si.KELVIN, 100), number=100)
+
+
+
+
+
[34]:
+
+
+
rel_dev = (time_rust - time_python) / time_rust
+print(f"Phase diagram for pure substance")
+print(f"Python implementation is {'slower' if rel_dev < 0 else 'faster'} by a factor of {abs(time_python / time_rust):.0f}.")
+
+
+
+
+
+
+
+
+Phase diagram for pure substance
+Python implementation is slower by a factor of 80.
+
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/examples/core_user_defined_eos.ipynb b/tutorials/eos/core_user_defined_eos.ipynb similarity index 99% rename from examples/core_user_defined_eos.ipynb rename to tutorials/eos/core_user_defined_eos.ipynb index 90645b04f..58ff52449 100644 --- a/examples/core_user_defined_eos.ipynb +++ b/tutorials/eos/core_user_defined_eos.ipynb @@ -1171,7 +1171,7 @@ "outputs": [], "source": [ "# rust\n", - "eos_rust = feos.EquationOfState.peng_robinson(feos.Parameters.from_json([\"propane\"], \"data/peng-robinson.json\"))\n", + "eos_rust = feos.EquationOfState.peng_robinson(feos.Parameters.from_json([\"propane\"], \"../../../examples/data/peng-robinson.json\"))\n", "\n", "# python\n", "tc = si.array(369.96 * si.KELVIN)\n", @@ -1214,7 +1214,7 @@ "output_type": "stream", "text": [ "Critical point for pure substance\n", - "Python implementation is slower by a factor of 25.\n" + "Python implementation is slower by a factor of 24.\n" ] } ], @@ -1244,7 +1244,7 @@ "output_type": "stream", "text": [ "Phase diagram for pure substance\n", - "Python implementation is slower by a factor of 79.\n" + "Python implementation is slower by a factor of 80.\n" ] } ], diff --git a/tutorials/eos/index.html b/tutorials/eos/index.html new file mode 100644 index 000000000..5f2504eee --- /dev/null +++ b/tutorials/eos/index.html @@ -0,0 +1,709 @@ + + + + + + + + + Equations of state - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+ + +
+
+ + + + + + + + + + \ No newline at end of file diff --git a/tutorials/eos/pcsaft_entropy_scaling.html b/tutorials/eos/pcsaft_entropy_scaling.html new file mode 100644 index 000000000..aff95986f --- /dev/null +++ b/tutorials/eos/pcsaft_entropy_scaling.html @@ -0,0 +1,1242 @@ + + + + + + + + + Entropy scaling of pure substances - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Entropy scaling of pure substances

+
+

Goal

+
    +
  • Learn how to compute dynamic properties (viscosity in this example)

  • +
  • Compare substance specific parameters against homo-segmented group contribution

  • +
  • Compare viscosity to NIST data (generated in NIST’s webapp)

  • +
+
+
+

Import needed packages

+
+
[1]:
+
+
+
import feos
+import matplotlib.pyplot as plt
+import seaborn as sns
+import numpy as np
+import pandas as pd
+import si_units as si
+
+sns.set_context("talk")
+sns.set_palette("Dark2")
+sns.set_style("ticks")
+
+
+
+
+
+

PC-SAFT (individual component parameters)

+

First, we read parameters adjusted to hexane saturation pressure and liquid densities (for the regular SAFT parameters) and to viscosity (for correlation).

+
+
[2]:
+
+
+
parameters = feos.Parameters.from_json(
+    ["hexane"], "../../../parameters/pcsaft/loetgeringlin2018.json"
+)
+parameters
+
+
+
+
+
[2]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

viscosity

hexane

86.177

3.0576

3.7983

236.77

[-1.2035,-2.5958,-0.4816,-0.0865]

+
+
+
+
+
+

PC-SAFT homo-GC

+

For transparency, we build parameters by hand. You can read a detailed explanation about PC-SAFT parameters in the “working with parameters” tutorial.

+
+
[3]:
+
+
+
hexane = feos.ChemicalRecord(
+    identifier=feos.Identifier(
+        cas="110-54-3",
+        name="hexane",
+        iupac_name="hexane",
+        smiles="CCCCCC",
+        inchi="InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",
+        formula="C6H14"
+    ),
+    segments=['CH3', 'CH2', 'CH2', 'CH2', 'CH2', 'CH3']
+)
+
+ch3 = feos.SegmentRecord(
+    'CH3',
+    molarweight=15.0345,
+    m=0.61198,
+    sigma=3.7202,
+    epsilon_k=229.90,
+    viscosity=[-8.6878e-3, -1.7951e-1, -12.2359e-2, -0.01245]
+)
+
+ch2 = feos.SegmentRecord(
+    'CH2',
+    molarweight=14.02658,
+    m=0.45606,
+    sigma=3.8900,
+    epsilon_k=239.01,
+    viscosity=[-0.9194e-3, -1.3316e-1, -4.2657e-2, -0.01245]
+)
+
+segment_records = {r.identifier: r for r in [ch3, ch2]}
+
+def from_segments(chemical_record, segment_records):
+    m = 0
+    s3 = 0
+    eps = 0
+    mw = 0
+    viscosity = np.zeros(4)
+    for s in chemical_record.segments:
+        segment = segment_records[s]
+        mw += segment.molarweight
+        m += segment.model_record["m"]
+        s3 += segment.model_record["m"] * segment.model_record["sigma"]**3
+        eps += segment.model_record["m"] * segment.model_record["epsilon_k"]
+        v = segment.model_record["viscosity"]
+        viscosity += np.array([
+            v[0] * segment.model_record["m"] * segment.model_record["sigma"]**3,
+            v[1] * segment.model_record["m"] * segment.model_record["sigma"]**3,
+            v[2],
+            v[3]
+        ])
+    viscosity[1] /= s3**0.45
+
+    # We have to shift the "A" parameter because the implemented reference
+    # is eta_CE according to eq. 3 of Loetgerin-Lin (2018)
+    # A = A(GC) + log(sqrt(1/m)) = -log(m)/2
+    viscosity[0] += np.log(np.sqrt(1/m))
+    return feos.PureRecord(chemical_record.identifier, mw, m=m, sigma=np.cbrt(s3 / m), epsilon_k=eps / m, viscosity=list(viscosity))
+
+
+
+
+

Build equations of state

+

We instantiate an equation of state for each parameter set. saft uses substance specific parameters while saft_gc uses homo GC parameters both for SAFT as well as correlation parameters.

+
+
[4]:
+
+
+
parameters_gc = feos.Parameters.new_pure(from_segments(hexane, segment_records))
+saft_gc = feos.EquationOfState.pcsaft(parameters_gc)
+saft = feos.EquationOfState.pcsaft(parameters)
+
+m_gc = parameters_gc.pure_records[0].model_record["m"]
+m = parameters.pure_records[0].model_record["m"]
+
+
+
+
+
+

Compare parameters

+
+
[5]:
+
+
+
print("Substance specific: ", parameters.pure_records[0].model_record["viscosity"])
+print("Segments          : ", parameters_gc.pure_records[0].model_record["viscosity"])
+
+
+
+
+
+
+
+
+Substance specific:  [-1.2035, -2.5958, -0.4816, -0.0865]
+Segments          :  [-1.2034921145837285, -2.536713016411593, -0.415346, -0.0747]
+
+
+
+
+
+

Compare methods to NIST data (T = 450 K)

+

We will compute the residual entropy, viscosity and logarithmic reduced viscosity and compare to literature data (for which the entropy is computed with parameters fitted to the component, not GC).

+
+
[6]:
+
+
+
literature = pd.read_csv("../../../examples/data/hexane_nist.csv", delimiter="\t")
+literature.head()
+
+
+
+
+
[6]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
Temperature (K)Pressure (MPa)Density (mol/m3)Volume (m3/mol)Internal Energy (kJ/mol)Enthalpy (kJ/mol)Entropy (J/mol*K)Cv (J/mol*K)Cp (J/mol*K)Sound Spd. (m/s)Joule-Thomson (K/MPa)Viscosity (Pa*s)Therm. Cond. (W/m*K)Phase
0450.00.012.67740.37350045.22948.964154.33193.37201.76212.4711.2040.0000090.029374vapor
1450.00.1129.98400.03335145.06548.734134.03193.94203.09209.0411.5100.0000090.029276vapor
2450.00.2158.32900.01714444.89648.496128.27194.53204.55205.4811.8420.0000090.029196vapor
3450.00.3187.82600.01138644.72048.249124.64195.15206.15201.7612.2070.0000090.029136vapor
4450.00.41118.61000.00843144.53647.992121.90195.80207.93197.8712.6080.0000100.029098vapor
+
+
+

We loop through experimental data, read temperature, pressure and the phase (liquid or vapor) and generate State objects for the experimental conditions. Then, we compute the residual molar entropy and the logarithmic reduced viscosity.

+
+
[7]:
+
+
+
results = []
+for i, row in literature.iterrows():
+    t = row['Temperature (K)'] * si.KELVIN
+    p = row['Pressure (MPa)'] * si.MEGA * si.PASCAL
+    viscosity_lit = row['Viscosity (Pa*s)'] * si.PASCAL * si.SECOND
+
+    # literature
+    state = feos.State(saft, temperature=t, pressure=p, total_moles=si.MOL, density_initialization=row.Phase)
+    s = state.molar_entropy(feos.Contributions.Residual)
+    results.append(
+        {
+            "pressure": p / si.MEGA / si.PASCAL,
+            "s*_res/m": s / si.RGAS / m,
+            "viscosity": viscosity_lit / (si.PASCAL * si.SECOND),
+            "ln_viscosity_reduced": np.log(viscosity_lit/ state.viscosity_reference()),
+            "source": "literature",
+            "rel.dev.": 0.0
+        }
+    )
+
+    # individual parameters
+    viscosity = state.viscosity()
+    ln_viscosity_reduced = state.ln_viscosity_reduced()
+    results.append(
+        {
+            "pressure": p / si.MEGA / si.PASCAL,
+            "s*_res/m": s / si.RGAS / m,
+            "viscosity": viscosity / (si.PASCAL * si.SECOND),
+            "ln_viscosity_reduced": ln_viscosity_reduced,
+            "source": "saft",
+            "rel.dev.": (viscosity - viscosity_lit) / viscosity_lit * 100
+        }
+    )
+
+    # homo GC
+    state = feos.State(saft_gc, temperature=t, pressure=p, total_moles=si.MOL)
+    s = state.molar_entropy(feos.Contributions.Residual)
+    viscosity = state.viscosity()
+    ln_viscosity_reduced = state.ln_viscosity_reduced()
+    results.append(
+        {
+            "pressure": p / si.MEGA / si.PASCAL,
+            "s*_res/m": s / si.RGAS / m_gc,
+            "viscosity": viscosity / (si.PASCAL * si.SECOND),
+            "ln_viscosity_reduced": ln_viscosity_reduced,
+            "source": "homo-GC",
+            "rel.dev.": (viscosity - viscosity_lit) / viscosity_lit * 100
+        }
+    )
+
+# gather everything in a data frame
+data = pd.DataFrame(results)
+data.head()
+
+
+
+
+
[7]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
pressures*_res/mviscosityln_viscosity_reducedsourcerel.dev.
00.01-0.0005260.000009-1.170829literature0.000000
10.01-0.0005260.000009-1.202136saft-3.082130
20.01-0.0005310.000009-1.202146homo-GC-4.154342
30.11-0.0058620.000009-1.172124literature0.000000
40.11-0.0058620.000009-1.188299saft-1.604523
+
+
+
+
[8]:
+
+
+
fig, ax = plt.subplots(1, 2, figsize=(15, 4), gridspec_kw={'wspace': 0.35})
+sns.scatterplot(data=data, x='s*_res/m', y='ln_viscosity_reduced', hue='source', ax=ax[0])
+ax[0].set_xlabel(r"$\frac{s_{res}}{R \cdot m}$", fontsize=22)
+ax[0].set_ylabel(r"$\ln\left(\frac{\eta}{\eta^{CE}}\right)$", fontsize=22)
+ax[0].legend(frameon=False)
+
+sns.lineplot(data=data, x='pressure', y='viscosity', hue='source', ax=ax[1])
+ax[1].set_xlabel(r"$p$ / MPa", fontsize=22)
+ax[1].set_ylabel(r"$\eta$ / Pa*s", fontsize=22)
+ax[1].legend(frameon=False)
+sns.despine()
+
+
+
+
+
+
+
+../../_images/tutorials_eos_pcsaft_entropy_scaling_14_0.png +
+
+
+
[9]:
+
+
+
# check mean absolute relative deviation in percent
+mard = data.groupby('source')['rel.dev.'].apply(lambda x: np.mean(np.abs(x)))
+print('Viscosity hexane compared to NIST data at T = 450 K')
+print(f'MARD (individual): {mard.saft:.2f} %')
+print(f'MARD (homo-GC)   : {mard["homo-GC"]:.2f} %')
+
+
+
+
+
+
+
+
+Viscosity hexane compared to NIST data at T = 450 K
+MARD (individual): 0.81 %
+MARD (homo-GC)   : 3.70 %
+
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/examples/pcsaft_entropy_scaling.ipynb b/tutorials/eos/pcsaft_entropy_scaling.ipynb similarity index 99% rename from examples/pcsaft_entropy_scaling.ipynb rename to tutorials/eos/pcsaft_entropy_scaling.ipynb index 2959647f3..85648377d 100644 --- a/examples/pcsaft_entropy_scaling.ipynb +++ b/tutorials/eos/pcsaft_entropy_scaling.ipynb @@ -2,6 +2,7 @@ "cells": [ { "cell_type": "markdown", + "id": "6a9e9a37", "metadata": {}, "source": [ "# Entropy scaling of pure substances\n", @@ -18,6 +19,7 @@ { "cell_type": "code", "execution_count": 1, + "id": "f891db26", "metadata": {}, "outputs": [], "source": [ @@ -35,6 +37,7 @@ }, { "cell_type": "markdown", + "id": "6de7b793", "metadata": {}, "source": [ "## PC-SAFT (individual component parameters)\n", @@ -45,6 +48,7 @@ { "cell_type": "code", "execution_count": 2, + "id": "95b3db31", "metadata": {}, "outputs": [ { @@ -86,13 +90,14 @@ ], "source": [ "parameters = feos.Parameters.from_json(\n", - " [\"hexane\"], \"../parameters/pcsaft/loetgeringlin2018.json\"\n", + " [\"hexane\"], \"../../../parameters/pcsaft/loetgeringlin2018.json\"\n", ")\n", "parameters" ] }, { "cell_type": "markdown", + "id": "56577f0a", "metadata": {}, "source": [ "## PC-SAFT homo-GC\n", @@ -103,6 +108,7 @@ { "cell_type": "code", "execution_count": 3, + "id": "79f8f998", "metadata": {}, "outputs": [], "source": [ @@ -168,6 +174,7 @@ }, { "cell_type": "markdown", + "id": "c3e9ba03", "metadata": {}, "source": [ "### Build equations of state\n", @@ -178,6 +185,7 @@ { "cell_type": "code", "execution_count": 4, + "id": "4fc16789", "metadata": {}, "outputs": [], "source": [ @@ -191,6 +199,7 @@ }, { "cell_type": "markdown", + "id": "a11c1dfe", "metadata": {}, "source": [ "### Compare parameters" @@ -199,6 +208,7 @@ { "cell_type": "code", "execution_count": 5, + "id": "de38f6ed", "metadata": {}, "outputs": [ { @@ -217,6 +227,7 @@ }, { "cell_type": "markdown", + "id": "c41a08b0", "metadata": {}, "source": [ "## Compare methods to NIST data (T = 450 K)\n", @@ -227,6 +238,7 @@ { "cell_type": "code", "execution_count": 6, + "id": "1c36c1f4", "metadata": {}, "outputs": [ { @@ -392,12 +404,13 @@ } ], "source": [ - "literature = pd.read_csv(\"../examples/data/hexane_nist.csv\", delimiter=\"\\t\")\n", + "literature = pd.read_csv(\"../../../examples/data/hexane_nist.csv\", delimiter=\"\\t\")\n", "literature.head()" ] }, { "cell_type": "markdown", + "id": "4e5dbe2e", "metadata": {}, "source": [ "We loop through experimental data, read temperature, pressure and the phase (liquid or vapor) and generate `State` objects for the experimental conditions. Then, we compute the residual molar entropy and the logarithmic reduced viscosity." @@ -406,6 +419,7 @@ { "cell_type": "code", "execution_count": 7, + "id": "98ba4771", "metadata": {}, "outputs": [ { @@ -560,6 +574,7 @@ { "cell_type": "code", "execution_count": 8, + "id": "2d08525e", "metadata": {}, "outputs": [ { @@ -590,6 +605,7 @@ { "cell_type": "code", "execution_count": 9, + "id": "d260f795", "metadata": {}, "outputs": [ { diff --git a/tutorials/eos/pcsaft_phase_diagram.html b/tutorials/eos/pcsaft_phase_diagram.html new file mode 100644 index 000000000..b89b281d3 --- /dev/null +++ b/tutorials/eos/pcsaft_phase_diagram.html @@ -0,0 +1,1181 @@ + + + + + + + + + Pure substance phase diagrams - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Pure substance phase diagrams

+
+

Goal of this notebook

+
    +
  • Learn how to generate and work with phase diagrams.

  • +
  • Learn what PhaseEquilibrium objects are and how to use them.

  • +
+
+
[1]:
+
+
+
import feos
+import si_units as si
+import numpy as np
+import pandas as pd
+import matplotlib.pyplot as plt
+import seaborn as sns
+
+sns.set_context('talk')
+sns.set_palette('Dark2')
+sns.set_style('ticks')
+colors = sns.palettes.color_palette('Dark2', 8)
+
+
+
+
+
+

Read parameters from json for a single substance and generate PcSaft object

+
+
[2]:
+
+
+
parameters = feos.Parameters.from_json(
+    ['hexane'],
+    '../../../parameters/pcsaft/gross2001.json'
+)
+parameters
+
+
+
+
+
[2]:
+
+
+
+
+ + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

hexane

86.177

3.0576

3.7983

236.77

+
+
+
+
+
[3]:
+
+
+
pcsaft = feos.EquationOfState.pcsaft(parameters)
+
+
+
+
+
+

The PhaseDiagram object

+

A PhaseDiagram object contains multiple thermodyanmic states at phase equilibrium. For a single substance it can be constructed via the PhaseDiagram.pure method by providing

+
    +
  • an equation of state,

  • +
  • the minimum temperature, and

  • +
  • the number of points to compute.

  • +
+

The points are evenly distributed between the defined minimum temperature and the critical temperature which is either computed (default) or can be provided via the critical_temperature argument.

+

Furthermore, we can define options for the numerics:

+
    +
  • max_iter to define the maximum number of iterations for the phase equilibrium calculations, and

  • +
  • tol to set the tolerance used for deterimation of phase equilibria.

  • +
+

A Verbosity object can be provided via the verbosity argument to print intermediate calculations to the screen.

+

Starting from the minimum temperature, phase equilibria are computed in sequence using prior results (i.e. at prior temperature) as input for the next iteration.

+
+
[4]:
+
+
+
phase_diagram = feos.PhaseDiagram.pure(pcsaft, min_temperature=200*si.KELVIN, npoints=501)
+
+
+
+
+
[5]:
+
+
+
phase_diagram.vapor[0]
+
+
+
+
+
[5]:
+
+
+
+
+ + + + + + + + + + + +

temperature

density

200.00000 K

12.21572 mmol/m³

+
+
+
+
+

Stored information

+

A PhaseDiagram object contains the following fields:

+
    +
  • states: a list (with length of npoints) of PhaseEquilibrium objects at the different temperatures,

  • +
  • vapor and liquid: so-called StateVec objects that can be used to compute properties for the vapor and liquid phase, respectively.

  • +
+

The to_dict method can be used to conveniently generate a pandas.DataFrame object (see below).

+
+
+

Building a pandas.DataFrame: the to_dict method

+

The PhaseDiagramPure object contains some physical properties (such as densities, temperatures and pressures) as well as the PhaseEquilibrium objects at each temperature.

+

Before we take a look at these objects, a useful tool when working with phase diagrams is the to_dict method. It generates a Python dictionary of some properties (with hard-coded units, see the docstring of to_dict). This dictionary can readily be used to generate a pandas.DataFrame.

+
+
[6]:
+
+
+
df = pd.DataFrame(phase_diagram.to_dict(feos.Contributions.Residual))
+df.head()
+
+
+
+
+
[6]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
temperaturepressuredensity liquiddensity vapormolar enthalpy liquidmolar enthalpy vapormolar entropy liquidmolar entropy vapormass density liquidmass density vaporspecific enthalpy liquidspecific enthalpy vaporspecific entropy liquidspecific entropy vapor
0200.00000020.3127638539.5895910.012216-37.322054-0.000147-0.074718-1.879119e-07735.9162120.001053-433.086018-0.001703-0.867028-0.000002
1200.63866921.8162828532.6639640.013078-37.281784-0.000157-0.074497-2.001300e-07735.3193820.001127-432.618726-0.001819-0.864466-0.000002
2201.27733723.4186848525.7491420.013994-37.241570-0.000167-0.074277-2.130365e-07734.7234840.001206-432.152081-0.001943-0.861915-0.000002
3201.91600625.1256088518.8450020.014967-37.201412-0.000179-0.074058-2.266637e-07734.1285060.001290-431.686083-0.002073-0.859376-0.000003
4202.55467426.9429618511.9514220.015999-37.161309-0.000191-0.073841-2.410451e-07733.5344380.001379-431.220733-0.002212-0.856848-0.000003
+
+
+
+
[7]:
+
+
+
fig, ax = plt.subplots(1, 2, figsize=(15, 6))
+ax[0].set_title(f"saturation pressure of {parameters.pure_records[0].identifier.name}")
+sns.lineplot(y=df.pressure, x=1.0/df.temperature, ax=ax[0])
+
+# axis and styling
+ax[0].set_yscale('log')
+ax[0].set_xlabel(r'$\frac{1}{T}$ / K$^{-1}$')
+ax[0].set_ylabel(r'$p$ / Pa')
+ax[0].set_xlim(0.002, 0.005)
+ax[0].set_ylim(1e1, 1e7)
+
+ax[1].set_title(r"$T$-$\rho$-diagram of {}".format(parameters.pure_records[0].identifier.name))
+sns.lineplot(y=df.temperature, x=df['density vapor'], ax=ax[1], color=colors[0])
+sns.lineplot(y=df.temperature, x=df['density liquid'], ax=ax[1], color=colors[0])
+
+# axis and styling
+ax[1].set_ylabel(r'$T$ / K')
+ax[1].set_xlabel(r'$\rho$ / mol/m³')
+ax[1].set_ylim(200, 600)
+ax[1].set_xlim(0, 9000)
+
+sns.despine(offset=10)
+
+
+
+
+
+
+
+../../_images/tutorials_eos_pcsaft_phase_diagram_11_0.png +
+
+
+
+
+

The PhaseEquilibrium object

+

A PhaseEquilibrium object contains two thermodynamic states (State objects) that are in thermal, mechanical and chemical equilibrium. The PhaseEquilibrium.pure constructor can be used to compute a phase equilibrium for a single substance. We have to provide the equation of state and either temperature or pressure. Optionally, we can also provide PhaseEquilibrium object which can be used as starting point for the calculation which possibly speeds up the computation.

+
+
[8]:
+
+
+
vle = feos.PhaseEquilibrium.pure(
+    pcsaft,
+    temperature_or_pressure=300.0*si.KELVIN
+)
+vle
+
+
+
+
+
[8]:
+
+
+
+
+ + + + + + + + + + + + + + + + + +

temperature

density

phase 1

300.00000 K

8.86860 mol/m³

phase 2

300.00000 K

7.51850 kmol/m³

+
+
+
+

The two equilibrium states can be extracted via the liquid and vapor getters, respectively. Returned are State objects, for which we can now compute any property that is available for the State object and the given equation of state.

+
+
[9]:
+
+
+
liquid = vle.liquid
+vapor = vle.vapor
+
+assert(abs((liquid.pressure() - vapor.pressure()) / si.BAR) < 1e-10)
+print(f'saturation pressure      p_sat(T = {liquid.temperature}) = {liquid.pressure() / si.BAR:6.2f} bar')
+print(f'enthalpy of vaporization h_lv (T = {liquid.temperature}) = {(vapor.specific_enthalpy(feos.Contributions.Residual) - liquid.specific_enthalpy(feos.Contributions.Residual)) / (si.KILO*si.JOULE/si.KILOGRAM):6.2f} kJ/kg')
+
+
+
+
+
+
+
+
+saturation pressure      p_sat(T = 300 K) =   0.22 bar
+enthalpy of vaporization h_lv (T = 300 K) = 365.83 kJ/kg
+
+
+

If you want to compute a boiling temperature or saturation pressure without needing the PhaseEquilibrium object you can use the

+
    +
  • PhaseEquilibrium.boiling_temperature and

  • +
  • PhaseEquilibrium.vapor_pressure

  • +
+

methods. Note that these methods return lists (even for pure substance systems) where each entry contains the pure substance property.

+
+
[10]:
+
+
+
feos.PhaseEquilibrium.boiling_temperature(pcsaft, liquid.pressure())[0]
+
+
+
+
+
[10]:
+
+
+
+
+
+$300\,\mathrm{K}$
+
+
+
+
+

The states method returns all PhaseEquilibrium objects from PhaseDiagram

+

Once a PhaseDiagram object is created, we can access all underlying PhaseEquilibrium objects via the states field. In the following cell, we compute the enthalpy of vaporization by iterating through all states and calling the specific_enthalpy method on the vapor and liquid states of the PhaseEquilibrium object, respectively.

+

Note that this is merely an example to show how to compute any property of the states. The total value of enthalpy of vaporization may not be correct, depending on the ideal gas model used.

+
+
[11]:
+
+
+
# Add enthalpy of vaporization to dataframe
+df['hlv'] = [
+    (vle.vapor.specific_enthalpy(feos.Contributions.Residual) - vle.liquid.specific_enthalpy(feos.Contributions.Residual))
+    / (si.KILO * si.JOULE / si.KILOGRAM)
+    for vle in phase_diagram.states
+]
+
+
+
+
+
[12]:
+
+
+
fig, ax = plt.subplots(figsize=(7, 6))
+sns.lineplot(y=df.hlv, x=df.temperature, ax=ax)
+
+# axis and styling
+ax.set_xlabel(r'$T$ / K')
+ax.set_ylabel(r'$\Delta_{LV} h$ / kJ / kg')
+ax.set_xlim(200, 600)
+ax.set_ylim(0, 500)
+
+sns.despine(offset=10)
+
+
+
+
+
+
+
+../../_images/tutorials_eos_pcsaft_phase_diagram_20_0.png +
+
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/examples/pcsaft_phase_diagram.ipynb b/tutorials/eos/pcsaft_phase_diagram.ipynb similarity index 99% rename from examples/pcsaft_phase_diagram.ipynb rename to tutorials/eos/pcsaft_phase_diagram.ipynb index ed0603660..a317a0b19 100644 --- a/examples/pcsaft_phase_diagram.ipynb +++ b/tutorials/eos/pcsaft_phase_diagram.ipynb @@ -77,7 +77,7 @@ "source": [ "parameters = feos.Parameters.from_json(\n", " ['hexane'], \n", - " '../parameters/pcsaft/gross2001.json'\n", + " '../../../parameters/pcsaft/gross2001.json'\n", ")\n", "parameters" ] diff --git a/tutorials/eos/pcsaft_working_with_parameters.html b/tutorials/eos/pcsaft_working_with_parameters.html new file mode 100644 index 000000000..d7081610a --- /dev/null +++ b/tutorials/eos/pcsaft_working_with_parameters.html @@ -0,0 +1,1818 @@ + + + + + + + + + Working with parameters - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Working with parameters

+
+

Goal

+
    +
  • Read in parameters for pure substances and mixtures from json files, and

  • +
  • create parameters for pure substances and mixtures within Python.

  • +
  • For both regular parameters as well as via the homo-segmented group contribution method.

  • +
  • Learn how to access information stored in parameter objects.

  • +
+
+
+

Parameters and the equation of state

+

Before we can start to compute physical properties, two steps are needed:

+
    +
  1. Build a parameter object.

  2. +
  3. Instatiate the equation of state using the parameter object.

  4. +
+

In principle, every implementation of an equation of state can manage parameters differently but typically the workflow is similar for each implementation.

+

We first generate the parameters object, Parameters, which we then use to generate the equation of state object using EquationOfState.pcsaft().

+
+
+
+

Read parameters from json file(s)

+

The easiest way to create the Parameters object is to read information from one or more json files.

+
    +
  • To read information from a single file, use Parameters.from_json

  • +
  • To read information from multiple files, use Parameters.from_multiple_json

  • +
+
+

From a single file

+
+

Pure substance

+

Querying a substance from a file requires an identifier. This identifier can be one of Name, Cas, Inchi, IupacName, Formula, or Smiles with Name (common english name) being the default. We can change the identifier type usig the identifier_option argument with an IdentifierOption object. Given a list of identifiers and a path to the parameter file, we can conveniently generate our object.

+
+
[1]:
+
+
+
import feos
+
+# path to parameter file for substances that are non-associating, i.e. defined by three parameters: m, sigma, and epsilon_k.
+file_na = '../../../parameters/pcsaft/gross2001.json'
+
+# a system containing a single substance, "methane", using "Name" as identifier (default)
+parameters = feos.Parameters.from_json(['methane'], pure_path=file_na)
+parameters
+
+
+
+
+
[1]:
+
+
+
+
+ + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

methane

16.043

1.0

3.7039

150.03

+
+
+
+
+
[2]:
+
+
+
# a system containing a single substance, "methane", using "Smiles" ("C") as identifier
+parameters = feos.Parameters.from_json(['C'], pure_path=file_na, identifier_option=feos.IdentifierOption.Smiles)
+parameters
+
+
+
+
+
[2]:
+
+
+
+
+ + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

methane

16.043

1.0

3.7039

150.03

+
+
+
+
+
+

Mixtures

+

Reading parameters for more than one substance from a single file is very straight forward: simply add more identifiers to the list. Note that the order in which which identifiers are provided is important. When computing vector valued properties, the order of the physical properties matches the order of the substances within the parameter object.

+
+
[3]:
+
+
+
# a system containing a ternary mixture
+parameters = feos.Parameters.from_json(
+    ['methane', 'hexane', 'dodecane'],
+    pure_path=file_na
+)
+parameters
+
+
+
+
+
[3]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

methane

16.043

1.0

3.7039

150.03

hexane

86.177

3.0576

3.7983

236.77

dodecane

170.338

5.306

3.8959

249.21

+
+
+
+
+
+
+

From multiple files

+

There may be cases where we have to split our parameter information across different files. For example, the feos repository has parameters stored in different files where each file corresponds to the parameter’s original publication. Constructing the parameter object using multiple different json files is a bit more complicated. We can provide a list tuples, each of which contains the list of substances and the file where parameters are stored.

+

In the example below, we define a 4 component mixture from three input files:

+
    +
  • methane is read from a file containing non-associating substance parameters.

  • +
  • parameters for 1-butanol and water are read from a file containing associating substances, and

  • +
  • acetone parameters are read from a file that contains substances modelled with dipolar interactions.

  • +
+
+
[4]:
+
+
+
# na = non-associating
+# assoc = associating
+file_na = '../../../parameters/pcsaft/gross2001.json'
+file_assoc = '../../../parameters/pcsaft/gross2002.json'
+file_dipolar = '../../../parameters/pcsaft/gross2006.json'
+
+parameters = feos.Parameters.from_multiple_json(
+    [
+        (['C'], file_na),
+        (['CCCCO', 'O'], file_assoc),
+        (['CC(C)=O'], file_dipolar)
+    ],
+    identifier_option=feos.IdentifierOption.Smiles
+)
+parameters
+
+
+
+
+
[4]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

mu

na

nb

kappa_ab

epsilon_k_ab

methane

16.043

1.0

3.7039

150.03

1-butanol

74.123

2.7515

3.6139

259.59

1

1

0.006692

2544.6

water

18.015

1.0656

3.0007

366.51

1

1

0.034868

2500.7

acetone

58.08

2.7447

3.2742

232.99

2.88

+
+
+
+
+
+

With binary interaction parameters

+

Some mixtures cannot be adequately described with combination rules from pure substance parameters. In PC-SAFT, we can use a binary interaction parameter, k_ij, to enhance the description of mixture behavior. These interaction parameters can be supplied from a json file via the binary_path option.

+

This parameter is not shown in the default representation of the parameter object. You can access the matrix of k_ij via the getter, PcSaftParameters.k_ij.

+
+
[5]:
+
+
+
file_na = '../../../parameters/pcsaft/gross2001.json'
+file_assoc = '../../../parameters/pcsaft/gross2002.json'
+file_binary = '../../../parameters/pcsaft/gross2002_binary.json'
+
+parameters = feos.Parameters.from_multiple_json(
+    [
+        (['CCCC'], file_na),
+        (['CCCCO',], file_assoc)
+    ],
+    binary_path=file_binary,
+    identifier_option=feos.IdentifierOption.Smiles
+)
+parameters
+
+
+
+
+
[5]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

na

nb

kappa_ab

epsilon_k_ab

butane

58.123

2.3316

3.7086

222.88

1-butanol

74.123

2.7515

3.6139

259.59

1

1

0.006692

2544.6

+
+
+ + + + + + + + + + + + + +

component 1

component 2

k_ij

butane

1-butanol

0.015

+
+
+
+
+
+
+
+

Building parameters in Python

+

Building Parameters in Python is a bit more involved since the Parameters object is built from multiple intermediate objects. We need

+
    +
  • the Identifier object that stores information about how a substance can be identified,

  • +
  • the PureRecord object that bundles identifier and parameters together with the molar weight.

  • +
  • the BinaryRecord object that contains binary interaction parameters.

  • +
+
+
[6]:
+
+
+
identifier = feos.Identifier(
+    cas='106-97-8',
+    name='butane',
+    iupac_name='butane',
+    smiles='CCCC',
+    inchi='InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3',
+    formula='C4H10'
+)
+identifier
+
+
+
+
+
[6]:
+
+
+
+
+Identifier(cas=106-97-8, name=butane, iupac_name=butane, smiles=CCCC, inchi=InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3, formula=C4H10)
+
+
+

The PureRecord contains the identifier, molar weight and model parameters for a pure substance. At the point of creation, it has no information about the equation of state for which the parameters will ultimately be used. Therefore, there cannot be any checks for the validity of the parameters. Those happen when the equation of state is instantiated using, e.g., EquationOfState.pcsaft()

+

For PC-SAFT mandatory parameters are

+
    +
  • the number of segments, m, which is a dimensionless floating point number,

  • +
  • the Lennard-Jones structure parameter (diameter), sigma, in units of Angstrom, and

  • +
  • the Lennard-Jones energy parameter, epsilon_k, in units of Kelvin.

  • +
+

Optional parameters are

+
    +
  • the dipole moment, mu, in units of Debye used to model dipolar substances,

  • +
  • the quadrupole moment, q, in units of Debye used to model quadrupolar substances,

  • +
  • parameters to model association:

    +
      +
    • kappa_ab, epsilon_k_ab, na, nb

    • +
    +
  • +
  • and parameters for entropy scaling:

    +
      +
    • viscosity, diffusion, and thermal_conductivity

    • +
    • each of which is a list containing coefficients for the respective correlation functions.

    • +
    +
  • +
+
+
[7]:
+
+
+
butane = feos.PureRecord(identifier, molarweight=58.123, m=2.3316, sigma=3.7086, epsilon_k=222.88)
+butane
+
+
+
+
+
[7]:
+
+
+
+
+PureRecord(identifier: {cas: 106-97-8, name: butane, iupac_name: butane, smiles: CCCC, inchi: InChI=1/C4H10/c1-3-4-2/h3-4H2, 1-2H3, formula: C4H10}, molarweight: 58.123, m: 2.3316, sigma: 3.7086, epsilon_k: 222.88)
+
+
+
+

Parameters for a single component

+

For a single substance, we can use the Parameters.new_pure constructor.

+
+
[8]:
+
+
+
parameters = feos.Parameters.new_pure(butane)
+parameters
+
+
+
+
+
[8]:
+
+
+
+
+ + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

butane

58.123

2.3316

3.7086

222.88

+
+
+
+
+
+

Parameters for binary mixtures

+

We can create another PureRecord for a second component. Then, the Parameters.new_binary constructor let’s us build the parameters. Optionally, we can also directly provide a k_ij value for this system. Here, we build a record for an associating substance.

+
+
[9]:
+
+
+
butan_1_ol = feos.PureRecord(
+    identifier=feos.Identifier(
+        cas='71-36-3',
+        name='1-butanol',
+        iupac_name='butan-1-ol',
+        smiles='CCCCO',
+        inchi='InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3',
+        formula='C4H10O'
+    ),
+    molarweight=74.123,
+    m=2.7515,
+    sigma=3.6139,
+    epsilon_k=259.59,
+    association_sites=[{
+        "na": 1,
+        "nb": 1,
+        "kappa_ab": 0.006692,
+        "epsilon_k_ab": 2544.6
+    }]
+)
+
+
+
+
+
[10]:
+
+
+
parameters = feos.Parameters.new_binary([butane, butan_1_ol], k_ij=0.015)
+parameters
+
+
+
+
+
[10]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

na

nb

kappa_ab

epsilon_k_ab

butane

58.123

2.3316

3.7086

222.88

1-butanol

74.123

2.7515

3.6139

259.59

1

1

0.006692

2544.6

+
+
+ + + + + + + + + + + + + +

component 1

component 2

k_ij

butane

1-butanol

0.015

+
+
+
+
+
+

Parameters for mixtures with more than two components

+

For mixtures with more than two components, we can use the Parameters.from_records constructor which takes a list of PureRecords and optionally binary interaction parameters.

+
+
[11]:
+
+
+
binary = feos.BinaryRecord(feos.Identifier(name='butane'), feos.Identifier(name='1-butanol'), k_ij=0.015)
+
+parameters = feos.Parameters.from_records(
+    [butane, butan_1_ol],
+    binary_records=[binary]
+)
+parameters
+
+
+
+
+
[11]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

na

nb

kappa_ab

epsilon_k_ab

butane

58.123

2.3316

3.7086

222.88

1-butanol

74.123

2.7515

3.6139

259.59

1

1

0.006692

2544.6

+
+
+ + + + + + + + + + + + + +

component 1

component 2

k_ij

butane

1-butanol

0.015

+
+
+
+
+
+
+
+

Parameters from group contribution methods

+

An alternative to substance specific parameters are parameters that combine information from functional groups (molecule segments). As with regular parameters objects, we can build a GcParameters object from json or from Python - using segment information.

+
+

From json files

+

We need at least two files:

+
    +
  • pure_path: a file containing the substance identifiers and the segments that form the molecule

  • +
  • segments_path: a file that contains the segments (identifier and model parameters)

  • +
+

As before, we can specify our substance identifier using identifier_option and we can provide binary interaction parameters (segment-segment k_ij) via the binary_path argument.

+
+
[12]:
+
+
+
pure_path = '../../../parameters/pcsaft/gc_substances.json'
+segments_path = '../../../parameters/pcsaft/sauer2014_homo.json'
+
+parameters = feos.GcParameters.from_json_segments(
+    ['CCCC', 'CCCCO'],
+    pure_path,
+    segments_path,
+    identifier_option=feos.IdentifierOption.Smiles
+)
+parameters
+
+
+
+
+
[12]:
+
+
+
+
+<GcParameters at 0x7fb34959a6d0>
+
+
+
+
+

From Python

+

Building parameters in Python follows a similar approach as for regular parameters. To build GcParameters from segments, we need to specify:

+
    +
  • The ChemicalRecord which contains the Identifier and the segments (as list of strs),

  • +
  • and the SegmentRecord which specifies the identifier of the segment (has to be the same as in the list of the ChemicalRecord), the molar weight and model parameters.

  • +
+

If both are available, we can use the GcParameters.from_segments constructor to build the parameters.

+
+
[13]:
+
+
+
cr1 = feos.ChemicalRecord(
+    identifier=feos.Identifier(
+    cas='106-97-8',
+    name='butane',
+    iupac_name='butane',
+    smiles='CCCC',
+    inchi='InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3',
+    formula='C4H10'
+),
+    segments=['CH3', 'CH2', 'CH2', 'CH3']
+)
+
+cr2 = feos.ChemicalRecord(
+    identifier=feos.Identifier(
+        cas='71-36-3',
+        name='1-butanol',
+        iupac_name='butan-1-ol',
+        smiles='CCCCO',
+        inchi='InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3',
+        formula='C4H10O'
+    ),
+    segments=['CH3', 'CH2', 'CH2', 'CH2', 'OH']
+)
+
+
+
+

Each segment has a SegmentRecord which can be constructed just like we did before for a substance.

+
+
[14]:
+
+
+
ch3 = feos.SegmentRecord(
+    'CH3',
+    molarweight=15.0345,
+    m=0.61198,
+    sigma=3.7202,
+    epsilon_k=229.90
+)
+ch2 = feos.SegmentRecord(
+    'CH2',
+    molarweight=14.02658,
+    m=0.45606,
+    sigma=3.8900,
+    epsilon_k=239.01
+)
+oh = feos.SegmentRecord(
+    'OH',
+    molarweight=17.00734,
+    m=0.40200,
+    sigma=3.2859,
+    epsilon_k=488.66,
+    epsilon_k_ab=2517.0,
+    kappa_ab=0.006825
+)
+
+
+
+
+
[15]:
+
+
+
parameters = feos.GcParameters.from_segments(
+    chemical_records=[cr1, cr2],
+    segment_records=[ch3, ch2, oh]
+)
+parameters
+
+
+
+
+
[15]:
+
+
+
+
+<GcParameters at 0x7fb3582d9470>
+
+
+
+
+
+

Accessing information from parameter objects

+

Once the Parameters object is constructed, within a jupyter notebook, we get a nice representation in form of a markdown table. Sometimes, however you might want to access information not presented in this table or you might want to store information in a variable.

+

Let’s build parameters for the four-component mixture we looked at earlier:

+
+
[16]:
+
+
+
file_na = '../../../parameters/pcsaft/gross2001.json'
+file_assoc = '../../../parameters/pcsaft/gross2002.json'
+file_dipolar = '../../../parameters/pcsaft/gross2006.json'
+
+parameters = feos.Parameters.from_multiple_json(
+    [
+        (['C'], file_na),
+        (['CCCCO', 'O'], file_assoc),
+        (['CC(C)=O'], file_dipolar)
+    ],
+    identifier_option=feos.IdentifierOption.Smiles
+)
+parameters
+
+
+
+
+
[16]:
+
+
+
+
+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

component

molarweight

m

sigma

epsilon_k

mu

na

nb

kappa_ab

epsilon_k_ab

methane

16.043

1.0

3.7039

150.03

1-butanol

74.123

2.7515

3.6139

259.59

1

1

0.006692

2544.6

water

18.015

1.0656

3.0007

366.51

1

1

0.034868

2500.7

acetone

58.08

2.7447

3.2742

232.99

2.88

+
+
+
+
+

Get PureRecords via parameters.pure_records

+

We have seen above that it is possible to generate parameters in Python using intermediate objects, such as Identifier, PcSaftRecord and PureRecord. You can generate these objects for all substances via the pure_records method (getter). This getter returns PureRecord objects which can be further deconstructed to yield the Identifier and PcSaftRecord objects and the molar weight.

+

Note that the order in which substances are returned matches the order in which we specified the substances above.

+
+
[17]:
+
+
+
parameters.pure_records
+
+
+
+
+
[17]:
+
+
+
+
+[PureRecord(identifier: {cas: 74-82-8, name: methane, iupac_name: methane, smiles: C, inchi: InChI=1/CH4/h1H4, formula: CH4}, molarweight: 16.043, m: 1.0, sigma: 3.7039, epsilon_k: 150.03),
+ PureRecord(identifier: {cas: 71-36-3, name: 1-butanol, iupac_name: butan-1-ol, smiles: CCCCO, inchi: InChI=1/C4H10O/c1-2-3-4-5/h5H, 2-4H2, 1H3, formula: C4H10O}, molarweight: 74.123, m: 2.7515, sigma: 3.6139, epsilon_k: 259.59, association_sites: [{kappa_ab: 0.006692, epsilon_k_ab: 2544.6, na: 1.0, nb: 1.0}]),
+ PureRecord(identifier: {cas: 7732-18-5, name: water, iupac_name: oxidane, smiles: O, inchi: InChI=1/H2O/h1H2, formula: H2O}, molarweight: 18.015, m: 1.0656, sigma: 3.0007, epsilon_k: 366.51, association_sites: [{kappa_ab: 0.034868, epsilon_k_ab: 2500.7, na: 1.0, nb: 1.0}]),
+ PureRecord(identifier: {cas: 67-64-1, name: acetone, iupac_name: propan-2-one, smiles: CC(C)=O, inchi: InChI=1/C3H6O/c1-3(2)4/h1-2H3, formula: C3H6O}, molarweight: 58.08, m: 2.7447, sigma: 3.2742, epsilon_k: 232.99, mu: 2.88)]
+
+
+
+
[18]:
+
+
+
for pure_record in parameters.pure_records:
+    print(f"σ ({pure_record.identifier.name})\t = {pure_record.model_record["sigma"]} A")
+
+
+
+
+
+
+
+
+σ (methane)      = 3.7039 A
+σ (1-butanol)    = 3.6139 A
+σ (water)        = 3.0007 A
+σ (acetone)      = 3.2742 A
+
+
+
+
[19]:
+
+
+
# get identifier of substance 0
+parameters.pure_records[0].identifier
+
+
+
+
+
[19]:
+
+
+
+
+Identifier(cas=74-82-8, name=methane, iupac_name=methane, smiles=C, inchi=InChI=1/CH4/h1H4, formula=CH4)
+
+
+
+
[20]:
+
+
+
# get molarweight of substance 0
+parameters.pure_records[0].molarweight
+
+
+
+
+
[20]:
+
+
+
+
+16.043
+
+
+

A PureRecord object can be used to generate a json string which then can conveniently be stored in a file.

+
+
[21]:
+
+
+
# generate a json string from identifier of substance 0
+parameters.pure_records[0].to_json_str()
+
+
+
+
+
[21]:
+
+
+
+
+'{"identifier":{"cas":"74-82-8","name":"methane","iupac_name":"methane","smiles":"C","inchi":"InChI=1/CH4/h1H4","formula":"CH4"},"molarweight":16.043,"m":1.0,"sigma":3.7039,"epsilon_k":150.03}'
+
+
+
+
+
+

Accessing parameters from the equation of state

+

There is some parameter information that is not available from the Parameters struct:

+
    +
  • The matrix of association parameters (because it depends on model-specific combining rules)

  • +
  • Parameters for homosegmented GC methods (because they depend on model-specific sum rules)

  • +
+

To access those and all other parameters, we need to build the equation of state first. Then we can access its parameters using the parameters attribute.

+
+
[22]:
+
+
+
eos = feos.EquationOfState.pcsaft(parameters)
+eos.parameters
+
+
+
+
+
[22]:
+
+
+
+
+{'m': array([1.    , 2.7515, 1.0656, 2.7447]),
+ 'sigma': array([3.7039, 3.6139, 3.0007, 3.2742]),
+ 'epsilon_k': array([150.03, 259.59, 366.51, 232.99]),
+ 'mu': array([0.  , 0.  , 0.  , 2.88]),
+ 'na': array([1., 1.]),
+ 'nb': array([1., 1.]),
+ 'kappa_ab': array([[0.006692  , 0.01527536],
+        [0.01527536, 0.034868  ]]),
+ 'epsilon_k_ab': array([[2544.6 , 2522.65],
+        [2522.65, 2500.7 ]])}
+
+
+

This also allows us to inspect parameters that are calculated from a homosegmented GC method

+
+
[23]:
+
+
+
parameters = feos.GcParameters.from_segments(
+    chemical_records=[cr1, cr2],
+    segment_records=[ch3, ch2, oh]
+)
+eos = feos.EquationOfState.pcsaft(parameters)
+eos.parameters
+
+
+
+
+
[23]:
+
+
+
+
+{'m': array([2.13608, 2.38216]),
+ 'sigma': array([3.79456883, 3.75681406]),
+ 'epsilon_k': array([233.79002903, 278.79916706]),
+ 'k_ij': array([[0., 0.],
+        [0., 0.]])}
+
+
+
+
+

Summary

+

In \(\text{FeO}_\text{s}\), handling of parameters is not predefined within the underlying library. Each implementation of an equation of state has complete autonomy about the way parameters are handled. Howevery, we offer some convenient ways to automatize parameter handling which result in the methods presented in this example.

+

We looked at different ways to get parameters for the EquationOfState.pcsaft() equation of state, i.e.

+
    +
  • how to read parameters for substances from one or more files where we use the json format to store information, and

  • +
  • how to generate parameters the same parameters in Python.

  • +
  • In a similar fashion, we showed how parameters can be assembled using a homo-GC method.

  • +
+

Once parameters are created, we can retrieve information by extracting the intermediate objects such as PureRecord, Identifier and PcSaftRecord.

+
+
+

Further reading

+ +
+
+

Concluding remkars

+

Hopefully you found this example helpful. If you have comments, critique or feedback, please let us know and consider opening an issue on github.

+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/examples/pcsaft_working_with_parameters.ipynb b/tutorials/eos/pcsaft_working_with_parameters.ipynb similarity index 94% rename from examples/pcsaft_working_with_parameters.ipynb rename to tutorials/eos/pcsaft_working_with_parameters.ipynb index 2ae0e7fce..4d361ee2f 100644 --- a/examples/pcsaft_working_with_parameters.ipynb +++ b/tutorials/eos/pcsaft_working_with_parameters.ipynb @@ -96,7 +96,7 @@ "import feos\n", "\n", "# path to parameter file for substances that are non-associating, i.e. defined by three parameters: m, sigma, and epsilon_k.\n", - "file_na = '../parameters/pcsaft/gross2001.json' \n", + "file_na = '../../../parameters/pcsaft/gross2001.json' \n", "\n", "# a system containing a single substance, \"methane\", using \"Name\" as identifier (default)\n", "parameters = feos.Parameters.from_json(['methane'], pure_path=file_na)\n", @@ -346,9 +346,9 @@ "source": [ "# na = non-associating\n", "# assoc = associating\n", - "file_na = '../parameters/pcsaft/gross2001.json'\n", - "file_assoc = '../parameters/pcsaft/gross2002.json'\n", - "file_dipolar = '../parameters/pcsaft/gross2006.json'\n", + "file_na = '../../../parameters/pcsaft/gross2001.json'\n", + "file_assoc = '../../../parameters/pcsaft/gross2002.json'\n", + "file_dipolar = '../../../parameters/pcsaft/gross2006.json'\n", "\n", "parameters = feos.Parameters.from_multiple_json(\n", " [\n", @@ -446,9 +446,9 @@ } ], "source": [ - "file_na = '../parameters/pcsaft/gross2001.json'\n", - "file_assoc = '../parameters/pcsaft/gross2002.json'\n", - "file_binary = '../parameters/pcsaft/gross2002_binary.json'\n", + "file_na = '../../../parameters/pcsaft/gross2001.json'\n", + "file_assoc = '../../../parameters/pcsaft/gross2002.json'\n", + "file_binary = '../../../parameters/pcsaft/gross2002_binary.json'\n", "\n", "parameters = feos.Parameters.from_multiple_json(\n", " [\n", @@ -625,9 +625,13 @@ " molarweight=74.123, \n", " m=2.7515, \n", " sigma=3.6139, \n", - " epsilon_k=259.59, \n", - " kappa_ab=0.006692, \n", - " epsilon_k_ab=2544.6\n", + " epsilon_k=259.59,\n", + " association_sites=[{\n", + " \"na\": 1,\n", + " \"nb\": 1,\n", + " \"kappa_ab\": 0.006692, \n", + " \"epsilon_k_ab\": 2544.6\n", + " }]\n", ")" ] }, @@ -639,10 +643,10 @@ { "data": { "text/markdown": [ - "|component|molarweight|m|sigma|epsilon_k|kappa_ab|epsilon_k_ab|\n", - "|-|-|-|-|-|-|-|\n", - "|butane|58.123|2.3316|3.7086|222.88|||\n", - "|1-butanol|74.123|2.7515|3.6139|259.59|0.006692|2544.6|\n", + "|component|molarweight|m|sigma|epsilon_k|na|nb|kappa_ab|epsilon_k_ab|\n", + "|-|-|-|-|-|-|-|-|-|\n", + "|butane|58.123|2.3316|3.7086|222.88|\n", + "|1-butanol|74.123|2.7515|3.6139|259.59|1|1|0.006692|2544.6|\n", "\n", "|component 1|component 2|k_ij|\n", "|-|-|-|\n", @@ -677,8 +681,14 @@ " \"m\": 2.7515,\n", " \"sigma\": 3.6139,\n", " \"epsilon_k\": 259.59,\n", - " \"kappa_ab\": 0.006692,\n", - " \"epsilon_k_ab\": 2544.6\n", + " \"association_sites\": [\n", + " {\n", + " \"kappa_ab\": 0.006692,\n", + " \"epsilon_k_ab\": 2544.6,\n", + " \"na\": 1.0,\n", + " \"nb\": 1.0\n", + " }\n", + " ]\n", " }\n", "]\n", "\n", @@ -718,10 +728,10 @@ { "data": { "text/markdown": [ - "|component|molarweight|m|sigma|epsilon_k|kappa_ab|epsilon_k_ab|\n", - "|-|-|-|-|-|-|-|\n", - "|butane|58.123|2.3316|3.7086|222.88|||\n", - "|1-butanol|74.123|2.7515|3.6139|259.59|0.006692|2544.6|\n", + "|component|molarweight|m|sigma|epsilon_k|na|nb|kappa_ab|epsilon_k_ab|\n", + "|-|-|-|-|-|-|-|-|-|\n", + "|butane|58.123|2.3316|3.7086|222.88|\n", + "|1-butanol|74.123|2.7515|3.6139|259.59|1|1|0.006692|2544.6|\n", "\n", "|component 1|component 2|k_ij|\n", "|-|-|-|\n", @@ -756,8 +766,14 @@ " \"m\": 2.7515,\n", " \"sigma\": 3.6139,\n", " \"epsilon_k\": 259.59,\n", - " \"kappa_ab\": 0.006692,\n", - " \"epsilon_k_ab\": 2544.6\n", + " \"association_sites\": [\n", + " {\n", + " \"kappa_ab\": 0.006692,\n", + " \"epsilon_k_ab\": 2544.6,\n", + " \"na\": 1.0,\n", + " \"nb\": 1.0\n", + " }\n", + " ]\n", " }\n", "]\n", "\n", @@ -817,7 +833,7 @@ { "data": { "text/plain": [ - "" + "" ] }, "execution_count": 12, @@ -826,8 +842,8 @@ } ], "source": [ - "pure_path = '../parameters/pcsaft/gc_substances.json'\n", - "segments_path = '../parameters/pcsaft/sauer2014_homo.json'\n", + "pure_path = '../../../parameters/pcsaft/gc_substances.json'\n", + "segments_path = '../../../parameters/pcsaft/sauer2014_homo.json'\n", "\n", "parameters = feos.GcParameters.from_json_segments(\n", " ['CCCC', 'CCCCO'], \n", @@ -929,7 +945,7 @@ { "data": { "text/plain": [ - "" + "" ] }, "execution_count": 15, @@ -1056,9 +1072,9 @@ } ], "source": [ - "file_na = '../parameters/pcsaft/gross2001.json'\n", - "file_assoc = '../parameters/pcsaft/gross2002.json'\n", - "file_dipolar = '../parameters/pcsaft/gross2006.json'\n", + "file_na = '../../../parameters/pcsaft/gross2001.json'\n", + "file_assoc = '../../../parameters/pcsaft/gross2002.json'\n", + "file_dipolar = '../../../parameters/pcsaft/gross2006.json'\n", "\n", "parameters = feos.Parameters.from_multiple_json(\n", " [\n", @@ -1295,7 +1311,7 @@ "\n", "## Further reading\n", "\n", - "- Files of published parameters and further explanations can be found [in the `feos` github repositoy](https://github.com/feos-org/feos/tree/main/parameters/pcsaft).\n", + "- Files of published parameters and further explanations can be found [in the feos github repositoy](https://github.com/feos-org/feos/tree/main/parameters/pcsaft).\n", "\n", "## Concluding remkars\n", "\n", @@ -1319,7 +1335,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.13.5" + "version": "3.14.0" } }, "nbformat": 4, diff --git a/tutorials/index.html b/tutorials/index.html new file mode 100644 index 000000000..f3a82a5d7 --- /dev/null +++ b/tutorials/index.html @@ -0,0 +1,722 @@ + + + + + + + + + Tutorials - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+ +
+ +
+ +
+
+ + + + + + + + + + \ No newline at end of file diff --git a/tutorials/utility/core_dual_numbers.html b/tutorials/utility/core_dual_numbers.html new file mode 100644 index 000000000..9ebf15414 --- /dev/null +++ b/tutorials/utility/core_dual_numbers.html @@ -0,0 +1,1097 @@ + + + + + + + + + On Dual Numbers in FeOs - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

On Dual Numbers in FeOs

+

In FeOs, we use generalized dual numbers to compute partial derivatives of the Helmholtz energy. In this notebook, we take a closer look at how that works.

+

We will make use of the EquationOfState.python() feature: we use a simple version of the Peng-Robinson equation of state implemented as Python class which is registered in FeOs as equation of state. If you want to learn how to implement an equation of state as Python class in conjunction with FeOs, take a look at the example implementation in the examples section. In short - a class that implements a helmholtz_energy function that takes a StateD (or any state object, where +the internal data types can be any generalized dual number) and returns the Helmholtz energy (plus some minor functions), can be used with FeOs. We use the equation of state implemented in Python simply because we can add print statements and inspect the data types at runtime.

+
+

Dual Numbers

+

We won’t go into much detail regarding the theory of generalized dual numbers. Suffice it to say that generalized dual numbers are mathematical constructs consisting of one real value and one or more non-real values (just like complex numbers) that enable evaluation of arithmetic operations such that the operation and the derivative(s) can simultaneously be computed. We call these generalized dual numbers because they can have a different number of non-real values. For example a dual +number has a real and a single non-real value and can be used to compute first (partial) derivatives, while a hyper-dual number has a real and three non-real values and can be used to compute first and second (partial) derivatives. We can - in principle - create numbers that allow computation of an arbitrarily high derivative at the cost of execution speed.

+

Similar to numerical differentiation and complex step differentiation, a derivative is computed by defining a “step size”. For complex step and dual number differentiation this step is introduced in the non-real part. Derivatives of dual numbers, however, are exact (to machine precision) and independent of the step size used. Hence, we use unity as step size.

+

For example, when we feed a temperature as Dual64 data type

+
print(temperature)
+300 + [1]ε
+
+
+

into a function, its return value will be a Dual64 as well. The non-real part of the function result is the derivative with respect to temperature.

+
+
+

Do we need to create dual numbers by hand?

+

No. If you use already implemented equations of state, you will not even recognize that dual numbers are used. However, if you use Python or Rust to implement you own equation of state, it is useful to know how FeOs creates and uses dual numbers. It’s easier to look at an example than to talk about it. Below, you find the implementation of the Peng-Robinson equation of state where we added some print statement to the helmholtz_energy function to keep track of the values and data +types of the thermodynamic state that enters the Helmholtz energy computation.

+
+
[1]:
+
+
+
import feos
+import si_units as si
+import numpy as np
+
+SQRT2 = np.sqrt(2)
+
+class PyPengRobinson:
+    def __init__(self, critical_temperature, critical_pressure, acentric_factor, molar_weight, delta_ij=None):
+        """Peng-Robinson Equation of State
+
+        Parameters
+        ----------
+        critical_temperature : SIArray1
+            critical temperature of each component.
+        critical_pressure : SIArray1
+            critical pressure of each component.
+        acentric_factor : np.array[float]
+            acentric factor of each component (dimensionless).
+        molar_weight: SIArray1
+            molar weight of each component.
+        delta_ij : np.array[[float]], optional
+            binary parameters. Shape=[n, n], n = number of components.
+            defaults to zero for all binary interactions.
+
+        Raises
+        ------
+        ValueError: if the input values have incompatible sizes.
+        """
+        self.n = len(critical_temperature)
+        if len(set((len(critical_temperature), len(critical_pressure), len(acentric_factor)))) != 1:
+            raise ValueError("Input parameters must all have the same lenght.")
+
+        if self.n == 1:
+            self.tc = (critical_temperature / si.KELVIN)[0]
+            self.pc = (critical_pressure / si.PASCAL)[0]
+            self.omega = acentric_factor[0]
+            self.mw = (molar_weight / si.GRAM * si.MOL)[0]
+        else:
+            self.tc = critical_temperature / si.KELVIN
+            self.pc = critical_pressure / si.PASCAL
+            self.omega = acentric_factor
+            self.mw = molar_weight / si.GRAM * si.MOL
+
+        self.a_r = 0.45724 * critical_temperature**2 * si.RGAS / critical_pressure / si.ANGSTROM**3 / si.NAV / si.KELVIN
+        self.b = 0.07780 * critical_temperature * si.RGAS / critical_pressure / si.ANGSTROM**3 / si.NAV
+        self.kappa = 0.37464 + (1.54226 - 0.26992 * acentric_factor) * acentric_factor
+        self.delta_ij = np.zeros((self.n, self.n)) if delta_ij is None else delta_ij
+
+    def helmholtz_energy(self, state):
+        """Return Helmholtz energy.
+
+        Parameters
+        ----------
+        state : StateHD
+            The thermodynamic state.
+
+        Returns
+        -------
+        helmholtz_energy: float | any dual number
+            The return type depends on the input types.
+        """
+        x = state.molefracs
+        tr = 1.0 / self.tc * state.temperature
+        ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r
+        ak_mix = 0.0
+        if self.n > 1:
+            for i in range(self.n):
+                for j in range(self.n):
+                    ak_mix += np.sqrt(ak[i] * ak[j]) * (x[i] * x[j] * (1.0 - self.delta_ij[i, j]))
+        else:
+            ak_mix = ak
+        b = np.sum(x * self.b)
+        v = 1.0 / state.density
+        a = state.density * (np.log(v / (v - b)) - ak_mix / (b * SQRT2 * 2.0 * state.temperature)
+            * np.log((v * (SQRT2 - 1.0) + b) / (v * (SQRT2 + 1.0) - b)))
+
+        # some print statements to inspect data types
+        print()
+        print("data type  : ", type(state.temperature))
+        print("temperature: ", state.temperature)
+        print("molefracs  : ", state.molefracs)
+        print("density    : ", state.density)
+        print("A/kT       : ", a)
+        return a
+
+    def components(self) -> int:
+        """Number of components."""
+        return self.n
+
+    def subset(self, i: list[int]):
+        """Return new equation of state containing a subset of all components."""
+        if self.n > 1:
+            tc = self.tc[i]
+            pc = self.pc[i]
+            mw = self.mw[i]
+            omega = self.omega[i]
+            return PyPengRobinson(tc*si.KELVIN, pc*si.PASCAL, omega, mw*si.GRAM/si.MOL)
+        else:
+            return self
+
+    def molar_weight(self) -> si.SIObject:
+        if isinstance(self.mw, float):
+            return np.array([self.mw]) * si.GRAM / si.MOL
+        else:
+            return self.mw * si.GRAM / si.MOL
+
+    def max_density(self, molefracs: np.ndarray[float]) -> float:
+        b = np.sum(molefracs * self.b)
+        return 0.9 / b
+
+
+class PyPerfectGas:
+    def __init__(self):
+        """Dummy implementation for an ideal gas with constant heat capacity"""
+        pass
+
+    def ln_lambda3(self, temperature):
+        return temperature/temperature
+
+
+
+
+
[2]:
+
+
+
# parameters for propane
+tc = si.array(369.96 * si.KELVIN)
+pc = si.array(4250000.0 * si.PASCAL)
+omega = np.array([0.153])
+molar_weight = si.array(44.0962 * si.GRAM / si.MOL)
+
+# create an instance of our python class and hand it over to rust
+eos = feos.EquationOfState.python_residual(PyPengRobinson(tc, pc, omega, molar_weight)).python_ideal_gas([PyPerfectGas()])
+
+
+
+
+
+

Properties and dual numbers

+

After initializing the equation of state for a single substance (in the above cell), let us now build a thermodynamic state. For the sake of this example, we use the natural variables of the Helmholtz energy (\(\mathbf{N}\), \(V\), \(T\)) as input so that no volume or temperature has to be iterated.

+
+
[3]:
+
+
+
state = feos.State(eos, temperature=300*si.KELVIN, volume=40744*si.ANGSTROM**3, total_moles=1/si.NAV)
+
+
+
+

When computing a thermodynamic property for a State, FeOs internally generates a new object which contains the same information as State but with dual numbers as data types. Which dual numbers (dual, hyper-dual, etc.) are used depends on the property to compute or rather which partial derivatives are needed. FeOs then modifies the non-real parts of those properties (temperature, volume or amount of substance) so that the correct derivatives are computed and feeds this +“generalized dual state” object into the function that computes the Helmholtz energy. The result will have the same data type as the state’s variables and the needed derivative(s) are extracted and returned.

+

FeOs does all of that independent from the implementation of the equation of state. All you have to do - if you implement a Helmholtz energy function - is to write your code knowing that the state’s properties are generalized dual numbers. In Python, your can write code just like “regular” Python because dual numbers implement all arithmetic opartions you’d typically use.

+

Let’s take a look at an example. First, we compute the molar_helmholtz_energy. Since no derivatives are needed to compute the Helmholtz energy, the data types of the State’s properties are regular floating point numbers (float).

+

If you are in a running noteboook, execute the cell below and check the output. If you run the cell a second time, you will notice that the information about data types and values aren’t printed to the screen anymore. That’s because we cache already computed derivatives for a given state. A second call to molar_helmholtz_energy simply pulls the already computed value from cache and returns it without entering the helmholtz_energy function.

+
+
[4]:
+
+
+
state.helmholtz_energy() / (si.KB * 300*si.KELVIN)
+
+
+
+
+
+
+
+
+
+data type  :  <class 'float'>
+temperature:  300.0
+molefracs  :  [1.0]
+density    :  2.4543491066169247e-05
+A/kT       :  [0.00012419]
+
+
+
+
+
+
+
+/tmp/ipykernel_216511/809879024.py:1: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
+  state.helmholtz_energy() / (si.KB * 300*si.KELVIN)
+
+
+
+
[4]:
+
+
+
+
+-5.554978406564659
+
+
+

Next, we compute the pressure, for which we compute the first partial derivative of the Helmholtz energy with respect to the volume.

+

\(p = -\left(\frac{\partial A}{\partial V}\right)_{\mathbf{n}, T}\)

+

If you execute the cell below, you’ll notice that the data types are now dual numbers (Dual64, a dual number with 64bit floating point numbers) with a single non-real part. This non-real or dual part of the volume is unity while all other non-real parts are zero, which means that the first partial derivative with respect to volume will be computed.

+

FeOs modifies the dual parts of the temperature, volume or amount of substance (for a component) when computing derivatives. Note that the density is calculated as \(\rho = \frac{\sum n_i}{V}\) (where \(n_i\) is the amount of substance of component \(i\)) and hence also has a dual part which is different from zero. It is also different from unity - the value is calculated according to the artihmetic operation of division between two dual numbers.

+
+
[5]:
+
+
+
state.pressure()
+
+
+
+
+
+
+
+
+
+data type  :  <class 'builtins.PyDual64'>
+temperature:  300 + 0ε
+molefracs  :  [1 + 0ε]
+density    :  0.000024543491066169247 + -602382953715129600000ε
+A/kT       :  0.00012419216233064458 + -3038285859542560000000ε
+
+
+
+
+
+
+
+/tmp/ipykernel_216511/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
+  ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r
+
+
+
+
[5]:
+
+
+
+
+
+$100\,\mathrm{kPa}$
+
+
+

Similar to the pressure, the entropy is computed by taking the first partial derivative with respect to temperature. Here, the dual part of the density is zero because both dual parts of the volume and the amount of substance are zero, too.

+
+
[6]:
+
+
+
state.molar_entropy()
+
+
+
+
+
+
+
+
+
+data type  :  <class 'builtins.PyDual64'>
+temperature:  300 + 1ε
+molefracs  :  [1 + 0ε]
+density    :  0.000024543491066169247 + 0ε
+A/kT       :  0.00012419216233064458 + -0.0000006261809548282462ε
+
+
+
+
+
+
+
+/tmp/ipykernel_216511/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
+  ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r
+
+
+
+
[6]:
+
+
+
+
+
+$109.83\,\mathrm{\frac{ J}{molK}}$
+
+
+

Let’s take a look at a more involved property. For the Joule-Thomson coefficient, we need multiple second partial derivatives:

+

\(\mu_{JT}=\left(\frac{\partial T}{\partial p}\right)_{H,N_i} = -\frac{1}{C_p} \left(V + T \left(\frac{\partial p}{\partial T}\right)_{\mathbf{n}, V} \left(\frac{\partial p}{\partial V}\right)_{\mathbf{n}, T}^{-1} \right)\)

+

We need three evaluations of the Helmholtz energy (that are actually occuring in the computation of \(C_p\)):

+
    +
  1. \(\left(\frac{\partial p}{\partial T}\right)_{\mathbf{n}, V} \rightarrow -\left(\frac{\partial A}{\partial T \partial V}\right)_\mathbf{n}\): second partial derivative w.r.t volume and temperature,

  2. +
  3. \(\left(\frac{\partial p}{\partial V}\right)_{\mathbf{n}, T} \rightarrow -\left(\frac{\partial^2 A}{\partial V^2}\right)_{\mathbf{n}, T}\): second derivative w.r.t volume,

  4. +
  5. \(\left(\frac{\partial^2 A}{\partial T^2}\right)_{\mathbf{n}, V}\): 2nd partial derivative w.r.t temperature.

  6. +
+

Since we compute second derivatives, the data type is now HyperDual64 (one real, 3 non-real values) for mixed partial derivatives and Dual2_64 (one real, 2 non-real values) for the other partial derivatives.

+
+
[7]:
+
+
+
state.joule_thomson()
+
+
+
+
+
+
+
+
+
+data type  :  <class 'builtins.PyHyperDual64'>
+temperature:  300 + 1ε1 + 0ε2 + 0ε1ε2
+molefracs  :  [1 + 0ε1 + 0ε2 + 0ε1ε2]
+density    :  0.000024543491066169247 + 0ε1 + -602382953715129600000ε2 + 0ε1ε2
+A/kT       :  0.00012419216233064458 + -0.0000006261809548282462ε1 + -3038285859542560000000ε2 + 15312125055595608000ε1ε2
+
+data type  :  <class 'builtins.PyDual2_64'>
+temperature:  300 + 0ε1 + 0ε1²
+molefracs  :  [1 + 0ε1 + 0ε1²]
+density    :  0.000024543491066169247 + -602382953715129600000ε1 + 29569161285839853000000000000000000000000000000ε1²
+A/kT       :  0.00012419216233064458 + -3038285859542560000000ε1 + 148659416520544790000000000000000000000000000000ε1²
+
+data type  :  <class 'builtins.PyDual2_64'>
+temperature:  300 + 1ε1 + 0ε1²
+molefracs  :  [1 + 0ε1 + 0ε1²]
+density    :  0.000024543491066169247 + 0ε1 + 0ε1²
+A/kT       :  0.00012419216233064458 + -0.0000006261809548282462ε1 + 0.000000004710234326181233ε1²
+
+
+
+
+
+
+
+/tmp/ipykernel_216511/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
+  ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r
+
+
+
+
[7]:
+
+
+
+
+
+$-1.4939\times10^{-4}\,\mathrm{\frac{ms^{2}K}{kg}}$
+
+
+
+
+

Summary

+
    +
  • FeOs uses generalized dual numbers which enable the computation of higher order partial derivatives of the Helmholtz energy without the need of implementing these derivatives analytically.

  • +
  • When a property is computed, FeOs creates a new thermodynamic state with the correct data types according to the partial derivatives needed.

  • +
  • If a property was computed before, it is pulled from the state’s cache instead of re-evaluating the Helmholtz energy.

  • +
+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/examples/core_dual_numbers.ipynb b/tutorials/utility/core_dual_numbers.ipynb similarity index 98% rename from examples/core_dual_numbers.ipynb rename to tutorials/utility/core_dual_numbers.ipynb index ce9537401..7462308f9 100644 --- a/examples/core_dual_numbers.ipynb +++ b/tutorials/utility/core_dual_numbers.ipynb @@ -247,7 +247,7 @@ "name": "stderr", "output_type": "stream", "text": [ - "/tmp/ipykernel_207170/809879024.py:1: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", + "/tmp/ipykernel_216511/809879024.py:1: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", " state.helmholtz_energy() / (si.KB * 300*si.KELVIN)\n" ] }, @@ -303,7 +303,7 @@ "name": "stderr", "output_type": "stream", "text": [ - "/tmp/ipykernel_207170/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", + "/tmp/ipykernel_216511/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", " ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r\n" ] }, @@ -354,7 +354,7 @@ "name": "stderr", "output_type": "stream", "text": [ - "/tmp/ipykernel_207170/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", + "/tmp/ipykernel_216511/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", " ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r\n" ] }, @@ -427,7 +427,7 @@ "name": "stderr", "output_type": "stream", "text": [ - "/tmp/ipykernel_207170/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", + "/tmp/ipykernel_216511/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n", " ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r\n" ] }, diff --git a/tutorials/utility/core_working_with_units.html b/tutorials/utility/core_working_with_units.html new file mode 100644 index 000000000..bf49e72ba --- /dev/null +++ b/tutorials/utility/core_working_with_units.html @@ -0,0 +1,1127 @@ + + + + + + + + + Working with SI-units - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+
+
+

Working with SI-units

+
+

Goal

+
+

Learn how to work with SINumber and SIArray objects which represent physical quantities, i.e. one or more floating point numbers with an associated unit.

+
+
+
+

The si-units module

+

Most interfaces in FeOs use dimensioned quantities as input. For example, to define a thermodynamic state at given temperature, pressure and amount of substance, all of these properties have to be multiplied by an apropriate unit before we can call the function that creates the state.

+

FeOs uses the quantity crate which generates the si_units Python module. To have consistency throughout the ecosystem, we recommend importing the package as import si_units as si

+
+
[1]:
+
+
+
import si_units as si
+import numpy as np
+
+
+
+

The si module contains units according to the Standard Interational System of Units (SI), constants and prefixes. A scalar floating point number multiplied or divided by a unit has the ``SIObject`` data type.

+
+
[2]:
+
+
+
temperature = 300.15 * si.KELVIN
+print(f"temperature : {temperature}")
+print(f"data type   : {type(temperature)}")
+
+
+
+
+
+
+
+
+temperature : 300.15 K
+data type   : <class 'si_units._core.SIObject'>
+
+
+

The representation of a SIObject (e.g. using print) uses a prefix (e.g. k for kilo) so that the numerical value is convenient. For example 1000 g will be represented as 1 kg. Internally, all values are stored with respect to the basic SI unit, i.e. METER, KILOGRAM, SECOND, AMPERE, MOL, KELVIN, and CANDELA.

+
+
[3]:
+
+
+
1000 * si.GRAM
+
+
+
+
+
[3]:
+
+
+
+
+
+$1\,\mathrm{kg}$
+
+
+
+
[4]:
+
+
+
# volume of an ideal gas
+t = 300.15 * si.KELVIN
+p = 0.5 * si.BAR
+n = 1.5 * si.MOL
+v = n * si.RGAS * t / p
+print(f"v = {v}")
+
+
+
+
+
+
+
+
+v = 0.07486757864516083 m³
+
+
+

We can use division to transform a SIObject to a float for the desired unit:

+
+
[5]:
+
+
+
# temperature in Celsius
+t_c = t / si.CELSIUS
+print(f"t = {t_c:3.2f} °C")
+print(f"data type = {type(t_c)}")
+
+
+
+
+
+
+
+
+t = 27.00 °C
+data type = <class 'float'>
+
+
+
+

Mathematical operations and interaction with numpy

+

The SINumber object supports some mathematical operations, i.e. we can

+
    +
  • add or subtract two objects, if they have the same unit,

  • +
  • multiply or divide two objects, which returns a floating point number if they have the same unit,

  • +
  • raise an object to a power, and

  • +
  • take the square and cubic root, which only works if the units have the correct exponents to allow for the operation.

  • +
+
+
[6]:
+
+
+
# addition
+pressure = 2.5 * si.BAR + 15_000 * si.PASCAL
+print('pressure          :', pressure)
+
+# subtraction
+temperature = 543.15 * si.KELVIN - 230.0 * si.CELSIUS
+print('temperature       :', temperature)
+
+# division
+velocity = 360_000 * si.METER / si.HOUR
+print('velocity          :', velocity)
+
+# division as transformation to target unit
+v_cm_minute = velocity / (si.CENTI * si.METER / si.MINUTE) # this is a floating point number
+print(f'velocity (cm/min) : {v_cm_minute:8.1f}')
+
+# power
+acceleration = 9.81 * si.METER / si.SECOND**2
+print('acceleration      :', acceleration)
+
+
+
+
+
+
+
+
+pressure          : 265 kPa
+temperature       : 40 K
+velocity          : 100  m/s
+velocity (cm/min) : 600000.0
+acceleration      : 9.81 m s^-2
+
+
+

For the square and cubic root we can use the numpy functions, numpy.sqrt and numpy.cbrt, respectively, or use the methods provided by si_units.

+
+
[7]:
+
+
+
# square root
+speed = np.sqrt(si.METER**2 / si.SECOND**2)
+print('speed             :', speed)
+
+# cubic root
+box_length = (27_000 * si.ANGSTROM**3).cbrt()
+print('length            :', box_length)
+
+# both numpy and methods of SINumbers work
+assert(np.sqrt(si.METER**2 / si.SECOND**2) == (si.METER**2 / si.SECOND**2).sqrt())
+
+
+
+
+
+
+
+
+speed             : 1  m/s
+length            : 3 nm
+
+
+

The mathematical functions from the math module do not work because it is written in C and SINumbers are not compatible with the C function arguments. If you are having trouble with errors, consider transforming your properties to floats (by division with the proper unit) and then multiplying the correct unit to the result.

+
+
[8]:
+
+
+
from math import sqrt
+
+try:
+    sqrt(si.METER**2 / si.SECOND**2)
+except Exception as e:
+    print("ERROR:", e)
+
+
+
+
+
+
+
+
+ERROR: must be real number, not si_units._core.SIObject
+
+
+

If you try to perform arithmetic operations with SINumbers that are not allowed (e.g. adding two properties with different units), an error is raised.

+
+
[9]:
+
+
+
si.PASCAL + si.KELVIN
+
+
+
+
+
+
+
+
+---------------------------------------------------------------------------
+RuntimeError                              Traceback (most recent call last)
+Cell In[9], line 1
+----> 1 si.PASCAL + si.KELVIN
+
+RuntimeError: Inconsistent units Pa and K
+
+
+

We can enforce correct units in our interfaces using the has_unit method:

+
+
[10]:
+
+
+
MOL_M3 = si.MOL / si.METER**3 # we can create own units for future use
+
+def ideal_gas_pressure(density, temperature):
+    if not density.has_unit(MOL_M3):
+        raise ValueError("Please provide the molar density, e.g. in units of mol/m³.")
+    else:
+        return density * temperature * si.RGAS
+
+try:
+    p1 = ideal_gas_pressure(0.5 * si.KILO * si.MOL / si.METER**3, 350 * si.KELVIN)
+    print('p1 = ', p1)
+    p2 = ideal_gas_pressure(0.5 * si.KILOGRAM / si.METER**3, 350 * si.KELVIN)
+    print('p2 = ', p2)
+except Exception as e:
+    print("ERROR:", e)
+
+
+
+
+
+
+
+
+p1 =  1.4550309581768168 MPa
+ERROR: Please provide the molar density, e.g. in units of mol/m³.
+
+
+
+
+

Arrays of quantities

+

The “number” part of the SIObject can be any type that supports the necessary operations. Aside from floats, those are, e.g., numpy arrays or tensors.

+
+
[11]:
+
+
+
ps = np.array([1.0, 2.0]) * si.BAR
+print(f"pressures = {ps}")
+print(f"data type = {type(ps)}")
+
+
+
+
+
+
+
+
+pressures = array([100000., 200000.]) Pa
+data type = <class 'si_units._core.SIObject'>
+
+
+

The most important functionalities of array or tensor datatypes are also implemented for SIObject. For example, you can index into an array of dimension one.

+
+
[12]:
+
+
+
print(ps[1])
+
+
+
+
+
+
+
+
+200 kPa
+
+
+

There are several useful numpy methods to create arrays. Most of them can be simply multiplied by units to convert them to SIObject objects. Some of these functions, such as linspace and logspace can directly be constructed using si.linspace and si.logspace, respectively.

+
+
[13]:
+
+
+
ps_np = np.linspace(1, 2, 5) * si.BAR
+ps_si = si.linspace(1 * si.BAR, 2 * si.BAR, 5)
+print(f"pressures (numpy) = {ps_np}")
+print(f"pressures (si)    = {ps_si}")
+
+
+
+
+
+
+
+
+pressures (numpy) = array([100000., 125000., 150000., 175000., 200000.]) Pa
+pressures (si)    = array([100000., 125000., 150000., 175000., 200000.]) Pa
+
+
+

Just like scalars, division by a unit that matches the property stored in an array yields a numpy ndarray.

+
+
[14]:
+
+
+
ps_mpa = ps_np / (si.MEGA*si.PASCAL)
+print(f"pressures = {ps_mpa} MPa")
+print(f"data type = {type(ps_mpa)}")
+
+
+
+
+
+
+
+
+pressures = [0.1   0.125 0.15  0.175 0.2  ] MPa
+data type = <class 'numpy.ndarray'>
+
+
+
+
+
+

Derived units, constants and prefixes

+

In conjunction to the base units, the si module also exports derived units (e.g. HOUR = 3600 * SECOND), constants and prefixes (such as KILO or FEMTO). Of course, we could multiply by a floating point number instead of using prefixes (e.g. cm = 1e-2 * METER vs. cm = CENTI * METER) but we think using prefixes make the code more readable.

+

For a complete overview of exported units constants and prefixes, take a look at the documentation of the ``si_units` Python package <https://itt-ustutt.github.io/quantity/base/>`__.

+
+
[15]:
+
+
+
# The seven constants that inform the base units
+print('Hyperfine transition frequency of Cs:', si.DVCS)
+print('Speed of light                      :', si.CLIGHT)
+print('Planck constant                     :', si.PLANCK)
+print('Elementary charge                   :', si.QE)
+print('Boltzmann constant                  :', si.KB)
+print('Avogradro constant                  :', si.NAV)
+print('Luminous efficacy                   :', si.KCD)
+
+
+
+
+
+
+
+
+Hyperfine transition frequency of Cs: 9.19263177 GHz
+Speed of light                      : 2.99792458e8  m/s
+Planck constant                     : 6.62607015e-34  Js
+Elementary charge                   : 1.602176634e-19 C
+Boltzmann constant                  : 1.380649e-23  J/K
+Avogradro constant                  : 6.02214076e23 mol^-1
+Luminous efficacy                   : 683 lm/W
+
+
+
+
[16]:
+
+
+
# Derived constants
+print('Gravitational constant:', si.G)
+print('Ideal gas constant    :', si.RGAS)
+
+
+
+
+
+
+
+
+Gravitational constant: 6.6743e-11 m³/kg/s²
+Ideal gas constant    : 8.31446261815324  J/mol/K
+
+
+
+
+

Summary

+

In feos, most interfaces use dimensioned units in form of SIObject from the si-units Python library. This enables us to write functions that can check for proper units and thus circumvent unit errors that could occur, e.g. providing mass densities instead of molar densities.

+

In this example, we learned how to create and use these objects in conjunction with methods provided by numpy.

+
+
+

Concluding remkars

+

Hopefully you found this example helpful. If you have comments, critique or feedback, please let us know and consider opening an issue on github.

+
+
+ +
+
+ +
+ +
+
+ + + + + + + + + + + + + \ No newline at end of file diff --git a/examples/core_working_with_units.ipynb b/tutorials/utility/core_working_with_units.ipynb similarity index 100% rename from examples/core_working_with_units.ipynb rename to tutorials/utility/core_working_with_units.ipynb diff --git a/tutorials/utility/index.html b/tutorials/utility/index.html new file mode 100644 index 000000000..9296b500e --- /dev/null +++ b/tutorials/utility/index.html @@ -0,0 +1,707 @@ + + + + + + + + + Utility - FeOs v0.9.4 + + + + + + + + + + + + + + + + + + + Contents + + + + + + Menu + + + + + + + + Expand + + + + + + Light mode + + + + + + + + + + + + + + Dark mode + + + + + + + Auto light/dark, in light mode + + + + + + + + + + + + + + + Auto light/dark, in dark mode + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +Skip to content + + + +
+
+
+ +
+ +
+
+ +
+ +
+
+ +
+
+
+ + + + + Back to top + +
+ +
+ +
+ +
+ +
+ +
+ +
+
+ + + + + + + + + + \ No newline at end of file